#DEFINITION	Reference Metabolome for Nephrolepis auriculata
#IDENTTFIER	RefMeta-Nephrolepis auriculata.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Nephrolepis auriculata
#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 Nephrolepis auriculata 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	998.5695
Annotation	Unknow
Peak:m/z	Relative Intensity
70.35682	100.0
105.31590	35.7
232.29143	37.6
702.20782	42.1
925.94470	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	998.5701
Annotation	Unknow
Peak:m/z	Relative Intensity
71.24658	100.0
71.25007	65.3
80.78616	55.4
93.85561	58.7
103.55400	54.9
115.91024	56.3
125.16854	53.6
135.18446	59.1
152.27393	64.3
251.97621	59.5
327.50601	62.8
403.78357	66.5
408.76593	65.8
556.82538	65.4
713.25183	66.8
779.48041	61.7
878.05963	67.5
892.03607	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	996.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
70.32485	0.5
83.01395	0.4
84.20309	0.3
107.01398	1.9
108.02185	1.0
109.02964	0.6
121.02972	1.4
125.02438	0.3
135.00853	0.3
138.01993	2.2
148.01677	0.6
151.00381	6.6
152.01105	0.3
161.02518	0.4
163.00395	1.1
164.01128	0.4
169.01384	0.3
175.03999	0.3
178.99873	3.5
190.88364	0.3
211.03941	0.5
216.04211	0.5
226.02724	0.8
227.03471	2.1
243.02966	4.9
244.03383	0.4
245.04631	0.6
254.02274	1.1
255.02983	15.5
256.03369	0.8
271.02484	32.7
272.02933	2.5
273.03992	0.7
276.92545	0.3
283.02420	0.8
299.02066	0.8
300.02759	63.4
301.03464	23.5
302.03827	1.4
343.04398	0.5
609.14612	100.0
610.14960	13.1
622.11993	0.3
668.30499	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	990.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	3.3
71.62157	0.8
75.00868	1.0
83.01418	0.9
85.02935	1.2
89.02456	3.2
101.02447	2.1
106.06632	98.5
107.06954	2.9
113.02448	1.3
121.02975	2.3
125.02441	0.8
135.04530	1.0
146.06207	0.6
148.78835	0.6
150.05615	63.6
151.05930	2.5
155.51988	0.7
161.02541	0.8
164.07233	1.4
177.01875	1.0
179.03781	0.6
192.06680	1.1
194.04591	9.3
198.51039	0.6
236.05669	0.7
326.64209	0.6
356.10010	1.4
449.35580	0.7
474.16177	1.5
494.87378	0.7
518.15161	100.0
519.15607	7.8
836.67072	0.7
916.37762	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01391	52.0
71.02480	1.8
71.60982	2.7
73.02594	2.0
73.02944	9.9
75.00867	5.5
78.86617	1.6
83.01375	12.1
85.02962	22.8
87.00880	4.6
87.04519	13.8
89.02447	6.8
94.57169	2.0
95.01382	6.9
97.10110	1.5
99.00919	14.2
101.02445	24.1
101.06068	11.7
104.13634	1.6
112.01668	14.7
113.02463	43.6
116.92866	8.2
122.91400	1.6
125.02344	3.2
127.00266	1.8
140.00931	1.7
141.01714	65.7
143.03479	3.9
149.13342	3.9
151.00150	3.4
153.01721	17.2
161.04576	11.2
165.01711	3.7
166.99597	8.5
183.02756	20.6
195.02753	5.0
201.03796	3.6
225.03758	2.9
227.01744	4.6
243.04752	2.1
319.19061	10.2
381.22818	20.3
399.23315	1.9
421.22113	47.7
422.22348	3.4
463.23190	100.0
464.23483	8.4
465.20975	23.7
466.21765	2.2
481.18060	1.9
481.24078	9.8
482.24118	2.4
507.21863	12.7
562.53381	2.3
986.94373	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	987.4594
Annotation	Unknow
Peak:m/z	Relative Intensity
69.99850	2.5
70.00246	4.8
71.01382	3.3
72.99293	1.8
75.00878	12.8
88.98811	2.3
93.58202	1.3
99.00825	2.0
123.77902	1.9
126.09394	1.4
135.04480	1.6
152.99586	2.0
158.03690	3.1
159.04507	5.7
161.02336	1.6
171.04587	2.0
172.05316	8.9
173.05998	2.5
174.03259	2.5
183.04506	3.3
185.06082	2.3
187.04007	3.8
197.06068	2.9
199.04004	16.9
200.04822	8.3
204.04250	2.6
211.03894	2.0
227.03513	37.6
228.04243	14.1
245.04364	2.1
255.23228	3.5
269.12018	1.8
277.21658	6.5
281.15277	1.9
283.13403	57.2
284.13742	3.9
297.14844	1.9
301.14337	10.4
309.14990	14.4
311.12946	10.0
313.14337	2.6
325.14374	4.7
327.12289	7.0
327.16043	8.5
329.13843	2.9
345.13379	1.7
353.13947	26.0
367.15088	2.1
371.14941	6.6
374.42596	1.6
481.25650	2.0
483.27072	3.5
607.24060	7.5
823.42639	14.6
824.43030	2.1
825.44159	3.8
841.46680	3.9
867.45361	100.0
868.45520	18.4
881.47327	1.7
885.46796	9.2
886.45911	2.5
899.45636	4.7
925.46228	4.2
943.46649	16.3
944.47247	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	987.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03506	1.1
71.01389	13.8
71.61219	1.3
72.99310	2.0
73.02970	1.8
75.00875	15.8
81.03479	1.6
83.01427	1.2
83.05025	2.0
85.02971	1.5
93.03457	2.6
107.01391	1.4
108.02190	1.6
109.02973	2.4
111.04524	3.3
118.99879	9.7
121.02991	7.4
135.04535	2.7
139.04015	4.2
145.03043	1.5
146.03743	3.0
147.04535	3.7
148.05334	12.8
149.06071	8.7
151.00368	5.4
158.03735	1.5
159.04521	13.6
160.05150	1.0
161.06096	6.9
163.07687	2.4
164.01004	1.0
172.05334	9.7
173.06059	7.2
174.03233	6.1
174.06877	1.9
175.04036	5.1
175.07639	5.0
176.04797	23.1
176.08337	1.3
177.09221	15.2
178.99866	2.7
183.04520	1.6
186.06830	1.3
187.04047	4.9
187.07654	22.5
188.04796	8.3
189.05627	2.2
189.09241	7.8
191.03519	2.4
196.05316	1.3
197.06032	4.6
198.06856	2.1
199.04033	1.3
199.07683	4.1
200.04878	4.5
201.05553	1.9
201.09271	6.3
202.06348	2.3
203.07317	1.5
204.07904	1.3
205.08701	76.8
206.09070	4.0
211.04005	1.3
211.07626	2.1
213.05467	1.6
213.09174	5.0
214.06381	2.0
215.07146	22.1
215.10719	1.1
216.04262	1.9
216.07814	2.7
217.08705	22.0
217.12244	1.9
225.09210	2.4
227.03441	2.9
227.07179	1.9
227.10727	7.1
228.04204	2.9
229.08717	8.9
231.06615	1.4
231.10335	9.7
232.03838	2.0
239.07146	2.9
242.05917	1.3
243.02983	3.0
243.10228	11.2
245.08131	10.1
245.11842	9.3
246.05333	1.2
246.08954	1.0
254.02299	1.1
255.02983	11.0
257.08209	38.8
258.08496	1.9
259.09949	1.5
261.11404	2.1
271.02509	26.5
271.09738	10.9
272.02893	1.4
275.09329	5.0
287.09192	1.3
289.10840	63.7
290.11310	5.1
300.02765	52.6
301.03522	20.1
315.08759	1.8
333.09915	8.5
377.08771	9.2
562.81866	1.1
609.14648	100.0
610.14996	13.7
611.15326	1.2
1016.37817	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.61
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	1.3
71.16341	0.2
75.82994	0.1
91.04004	0.3
93.03460	1.0
95.05023	0.2
97.03866	0.1
115.00368	0.2
117.03475	0.6
119.04987	0.1
123.04530	0.5
129.06612	0.1
145.02982	0.6
146.03154	0.1
163.03899	0.1
167.05113	0.1
167.08646	0.1
169.06596	0.4
181.06519	0.1
182.07332	0.3
183.08138	0.7
193.06544	0.2
195.04456	0.1
196.05330	0.1
208.05287	0.1
209.06096	0.7
210.06865	14.5
211.07637	100.0
212.07971	5.0
253.21715	0.1
271.22800	1.0
272.23242	0.1
279.23434	0.2
285.20764	0.1
291.06564	0.1
351.21875	0.1
369.22729	0.3
425.25436	0.3
443.26495	0.3
491.30383	0.1
623.45422	0.2
637.34229	0.1
655.35370	0.1
679.47784	0.1
697.49030	1.1
698.49188	0.1
835.53461	0.2
891.56384	0.5
892.56744	0.1
907.29163	0.1
909.57336	4.0
910.57581	1.1
983.61096	0.8
984.61279	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99821	0.7
71.01397	1.5
71.61372	0.6
72.99308	1.4
75.00878	4.0
82.50689	0.4
82.67692	0.5
91.05540	1.2
93.03473	1.6
95.05094	0.5
97.06587	1.9
98.26604	0.6
101.02437	0.7
103.05530	0.7
105.03481	1.0
107.05029	2.4
108.02182	7.3
109.02959	2.2
117.03476	2.0
118.99890	8.6
119.05017	4.6
120.31581	0.5
121.02129	1.0
121.02962	13.6
122.03745	6.0
124.01653	1.5
125.02511	0.5
129.03490	1.9
130.04158	0.6
131.01239	0.6
133.02974	1.1
134.03787	2.9
135.04533	27.0
136.01674	2.6
136.04800	0.7
137.02489	0.9
139.03960	0.6
145.02953	6.1
146.03720	1.8
147.04527	18.1
148.05334	5.8
148.91112	0.5
150.03241	1.2
151.00397	3.7
151.03975	1.1
159.04552	0.7
161.02505	2.7
162.03244	1.5
162.06851	0.6
163.04025	29.0
163.16852	0.6
164.04433	1.0
172.05275	0.9
173.02435	6.8
174.03200	2.1
175.03894	0.8
177.09216	20.3
178.99913	1.9
183.04474	0.7
185.02521	0.8
187.07703	1.3
191.03511	100.0
192.04236	14.2
193.04828	0.9
199.04092	0.6
200.04793	0.9
201.09125	1.1
203.10799	1.2
205.08702	16.3
206.08972	1.1
211.07574	0.5
217.08649	1.5
217.12341	1.8
227.03531	1.5
229.05025	0.9
229.08621	4.1
231.06604	1.3
231.10313	1.5
243.02927	1.7
245.11839	0.6
255.03006	5.8
257.08206	13.5
261.11215	0.6
271.02481	10.2
271.09793	1.3
272.02954	1.5
275.09323	2.4
284.03281	1.1
285.04068	2.1
289.10840	46.9
290.11166	3.5
299.01767	0.8
300.02753	22.4
301.03519	11.3
333.09793	12.0
334.09943	0.6
377.08896	3.7
463.08789	10.0
468.17551	0.6
609.12500	40.9
610.12866	5.8
643.03851	0.6
699.79773	0.7
915.30853	0.7
1018.85486	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.6103
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	1.0
71.37827	0.1
80.77005	0.1
91.04002	0.1
93.03456	1.0
95.05022	0.2
107.63176	0.1
115.00397	0.2
117.03456	0.6
119.05033	0.2
123.04530	0.5
126.33485	0.1
141.07198	0.1
143.04974	0.1
145.02960	1.2
146.61314	0.1
163.03981	0.1
167.08624	0.2
168.05774	0.1
169.06563	0.4
171.04565	0.1
181.06627	0.1
182.07361	0.2
183.08139	0.5
193.06552	0.2
195.04437	0.1
196.05225	0.1
206.99820	0.1
207.69432	0.1
208.05257	0.2
209.06050	0.7
210.06870	15.8
211.07639	100.0
212.07974	5.2
250.87289	0.1
265.08820	0.1
271.22784	1.1
272.23175	0.1
279.23334	0.1
291.06662	0.2
309.08170	0.1
351.21719	0.1
369.22827	0.3
399.25720	0.1
417.26312	0.1
425.25562	0.1
443.26550	0.3
491.30032	0.2
623.45282	0.1
637.33862	0.2
679.48669	0.1
697.48969	1.0
698.49695	0.2
817.51373	0.1
835.54047	0.3
857.87817	0.1
891.56091	0.3
892.57251	0.1
909.57330	4.2
910.57739	0.9
930.34576	0.1
983.61279	0.8
984.60620	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.6107
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	0.9
71.45525	0.2
91.04010	0.3
93.03478	0.9
95.05007	0.1
102.88599	0.1
109.02986	0.3
115.00399	0.1
117.03466	0.8
119.05094	0.2
121.02957	0.1
123.04481	0.6
145.02988	1.4
156.05797	0.2
167.08644	0.2
169.06631	0.3
181.06505	0.2
182.07396	0.2
183.08148	0.8
193.06563	0.3
209.06042	0.9
210.06876	14.8
211.07652	100.0
212.08000	5.2
271.22791	1.0
279.23343	0.2
291.06625	0.1
377.80728	0.1
399.25317	0.4
417.26343	0.3
425.25510	0.3
443.26535	0.3
491.30396	1.0
637.33734	0.2
679.48010	0.1
697.48932	0.9
891.56055	0.2
909.57489	2.7
910.58203	0.6
983.60706	0.6
984.60699	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.6103
Annotation	Unknow
Peak:m/z	Relative Intensity
69.25623	1.8
71.01386	0.9
73.40970	0.2
91.04011	0.3
91.94133	0.2
93.03449	1.0
108.02167	0.1
115.00343	0.2
115.99435	0.1
117.03446	0.5
117.61896	0.2
123.04523	0.4
134.89433	0.2
143.90524	0.2
145.00125	0.2
145.02956	0.5
153.06555	0.2
169.06596	0.4
183.08183	0.6
209.06067	0.9
210.06859	13.9
211.07640	100.0
212.07965	5.1
234.13901	0.1
271.22769	1.1
369.22641	0.3
425.25562	0.3
431.55276	0.2
443.26761	0.3
450.23660	0.2
581.66034	0.2
581.75726	0.2
623.44916	0.2
637.33850	0.3
697.49133	1.2
698.49408	0.2
767.75372	0.2
829.82526	0.2
835.52899	0.3
891.56665	0.4
909.57324	4.4
910.57294	1.0
983.61023	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03461	0.7
71.01385	24.9
71.61745	0.2
72.01716	0.5
72.99311	1.2
73.02951	13.0
75.00884	0.6
83.01391	4.4
83.05048	0.4
85.02953	7.0
87.00882	0.8
89.02451	13.1
94.59351	0.3
95.01405	1.8
97.02942	0.7
98.02712	0.2
99.00886	1.1
101.02451	18.0
102.02775	0.6
111.20208	0.3
113.02456	13.3
114.02819	0.4
119.03519	5.0
125.02437	1.2
131.03508	1.3
135.08156	0.6
139.07675	1.4
141.78740	0.3
143.03464	1.8
149.04518	1.9
153.09227	6.3
161.04555	5.6
163.11336	0.5
165.09273	0.3
171.10312	0.5
173.11839	0.3
177.02014	0.6
179.05618	1.6
190.10274	0.3
203.05667	0.6
209.11865	0.7
221.06709	1.4
242.67584	0.3
243.16016	5.4
375.16479	0.5
387.20255	25.8
388.20786	2.1
405.21310	8.6
406.21494	0.5
429.21387	0.4
447.22372	100.0
448.16354	0.6
448.22726	9.8
491.21396	3.8
492.21817	0.3
731.64142	0.3
949.82013	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
69.45615	1.7
69.46029	0.5
71.01389	7.9
72.10069	0.3
72.99316	0.4
73.02953	2.5
74.74777	0.2
75.00882	0.3
76.78271	0.2
81.03413	0.3
83.01411	1.1
85.02956	4.0
86.00115	0.2
87.00881	0.6
87.04520	0.7
89.02447	3.3
95.01382	0.7
98.19898	0.4
99.00867	1.0
101.02452	6.1
101.06109	1.4
106.47051	0.2
113.02456	4.2
119.03513	1.4
119.04217	0.2
121.02950	0.8
124.24538	0.2
125.02461	0.5
134.36734	0.2
143.03488	0.8
149.04556	0.3
159.03017	0.4
161.04523	2.1
165.07935	0.3
169.12352	0.3
179.05464	0.4
182.03746	0.2
184.05327	1.6
187.19139	0.2
211.04013	54.1
212.04735	9.9
213.05188	0.5
227.07146	100.0
228.07471	5.1
231.00418	0.2
255.19670	1.0
297.20776	0.7
297.39856	0.2
329.78876	0.2
351.21741	0.4
363.22235	0.2
381.22620	0.5
382.82965	0.2
383.58572	0.3
399.23892	22.7
400.24158	2.0
417.24948	17.7
418.25174	1.2
459.26007	11.9
460.26389	0.9
511.64243	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01376	0.6
83.72914	0.3
93.03486	0.6
101.02472	0.4
107.01383	1.9
108.02182	0.5
109.02934	1.2
119.05081	0.3
121.02952	1.2
125.02482	0.4
132.02179	0.8
135.00882	1.0
137.02428	0.3
139.60466	0.4
143.04984	0.4
145.02986	0.6
151.00386	5.6
157.06622	0.4
163.00401	1.7
164.01190	0.4
171.04430	0.4
174.90244	0.4
178.99908	2.0
183.04373	0.5
184.05009	0.3
185.02345	0.5
185.06107	0.8
187.03979	1.1
199.04028	0.6
201.05690	0.4
211.03998	1.5
213.05519	0.3
217.05092	0.3
226.02827	0.5
227.03500	16.3
228.03882	1.3
229.05061	4.0
239.03528	0.8
240.04094	0.5
241.05087	0.5
243.02998	1.9
243.05211	0.4
245.04492	0.8
254.02348	0.4
255.02989	45.9
256.03534	4.4
257.04633	2.1
267.15857	0.4
271.02490	12.5
272.02917	0.9
273.03973	0.4
283.02472	0.9
284.03259	76.2
285.03964	24.9
285.17242	0.6
286.04398	1.2
300.02740	21.8
301.03494	15.3
302.03769	1.4
327.05029	0.4
447.09341	30.4
448.09637	3.6
449.10117	0.5
489.10394	100.0
490.10718	11.2
531.20782	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
69.88461	1.0
69.88853	0.8
71.01385	3.1
73.02949	5.5
83.01388	2.2
85.02930	0.9
87.00880	0.6
89.02484	0.5
101.02453	10.8
107.01401	1.8
108.02186	0.7
109.02956	1.2
113.02473	0.7
121.02963	44.3
122.03292	0.7
125.02467	0.7
125.58361	0.3
127.03976	0.6
131.03535	1.7
135.00903	0.9
135.04524	3.0
143.03476	1.1
148.01654	0.9
151.00380	8.9
161.04524	1.0
163.00345	1.3
163.04028	2.4
163.06068	2.0
178.99876	4.7
187.04025	0.6
192.00531	0.6
193.01387	0.6
202.95816	0.4
205.05066	1.8
205.07169	2.5
211.04082	0.7
216.04260	0.6
226.02768	1.2
227.03590	1.9
229.05013	0.5
243.02986	7.2
244.03534	0.5
245.04622	1.3
254.02193	1.6
255.02998	19.3
256.03378	0.6
265.09250	0.7
267.08783	1.6
271.02481	42.0
271.80142	0.4
272.02933	3.4
273.03976	1.0
283.02460	1.2
299.01941	1.1
300.02765	82.6
301.03485	38.0
302.03821	2.2
309.09839	3.3
327.10974	0.5
351.10760	2.0
369.11615	0.5
410.31027	0.5
418.21420	0.5
448.10452	0.4
463.08844	100.0
464.09140	10.5
471.15475	0.8
516.20337	0.9
607.35168	0.5
840.83514	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	976.5853
Annotation	Unknow
Peak:m/z	Relative Intensity
70.35218	100.0
70.35548	46.5
73.50239	40.6
88.17044	33.4
136.03389	37.6
144.71866	36.2
153.10696	38.6
196.34053	38.4
260.37711	40.2
916.93262	53.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.566
Annotation	Unknow
Peak:m/z	Relative Intensity
71.61378	1.9
78.95903	25.7
89.02407	2.1
116.92847	2.1
150.77130	1.3
152.99602	37.6
155.05058	1.5
171.00667	9.5
227.03418	1.5
245.04312	54.5
253.21696	25.0
255.23273	6.5
277.21744	10.2
312.27673	1.3
379.12436	2.9
397.13443	4.1
481.25726	100.0
482.26328	9.7
483.81329	1.5
720.08704	1.7
729.09241	1.5
871.44733	1.7
928.81256	1.5
955.65320	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	974.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02960	0.6
71.01405	0.6
71.60725	0.5
72.00903	0.8
73.02888	0.5
74.02479	9.8
74.05337	0.4
77.98367	0.4
78.95915	6.8
81.04585	0.6
82.02983	1.5
86.02496	3.4
86.99085	0.5
87.05643	1.6
90.00191	0.9
96.04500	0.5
97.04074	1.1
99.05648	8.2
101.07203	1.4
102.05605	1.3
107.06125	0.6
109.04086	1.6
109.07683	0.6
111.05649	0.8
112.04064	1.3
112.64508	0.4
116.01675	0.6
123.05649	1.2
124.04158	0.6
125.03579	1.1
125.33606	0.4
126.02013	0.6
127.05142	1.2
128.03549	24.1
135.05676	2.6
137.07199	0.4
141.06706	1.9
143.04630	31.4
144.04919	0.7
145.06171	1.7
146.04622	2.9
149.07051	0.5
152.99599	0.6
153.06680	2.2
160.00748	10.9
166.09839	1.0
167.04626	2.1
167.08296	1.5
171.00624	0.7
171.07722	0.6
177.03369	3.7
179.04623	6.4
180.05048	0.6
181.06210	1.0
184.10880	0.7
185.05667	1.8
192.07855	0.7
197.05704	0.8
210.08861	7.0
211.09116	0.5
242.07849	0.6
254.07794	8.7
254.85014	0.5
272.06125	1.0
272.08884	15.1
273.09140	0.8
288.06592	6.3
306.07663	100.0
307.07880	5.0
396.42868	0.6
412.99649	0.5
736.04614	0.6
801.45062	0.5
930.43579	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	971.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	2.2
69.57630	7.8
71.01385	21.8
72.99306	10.6
73.02946	3.9
75.00877	41.5
77.52982	1.2
81.03457	5.5
83.01410	1.5
83.05025	14.3
87.00875	2.5
93.03452	17.4
95.01363	1.9
95.05028	3.0
99.00862	2.5
109.02936	6.4
110.03722	3.3
111.04521	32.6
113.02412	1.5
117.01999	1.2
118.99058	1.8
118.99865	25.8
120.79302	1.4
121.02952	35.0
122.03687	1.6
132.09236	1.1
135.04510	6.8
137.02467	1.4
139.04019	57.6
140.04358	1.8
145.06551	1.7
146.03719	6.2
147.04512	7.1
149.06068	3.0
158.03740	5.0
159.04518	27.2
160.05301	6.8
161.02361	1.4
161.06078	3.1
163.04024	3.0
171.04521	2.4
172.05292	33.4
173.06065	39.8
174.03192	6.3
174.06735	4.0
175.03981	3.9
175.07611	8.4
176.04759	5.4
177.09203	4.4
183.04541	2.9
185.06081	5.6
186.06808	3.3
187.04106	10.6
187.07643	81.0
188.04800	24.8
188.08096	5.2
189.05544	4.8
189.09216	21.1
191.03502	6.5
192.04236	2.3
196.05215	1.6
197.06113	10.9
198.06841	6.6
199.03993	7.6
199.07669	4.6
200.04752	4.8
200.08365	1.9
201.05621	7.6
201.09213	23.1
202.06366	7.5
202.09419	1.5
203.07074	2.9
203.10823	3.2
204.04247	4.5
204.07867	5.4
205.08678	8.9
211.04018	2.2
211.07689	3.0
212.04797	3.0
212.15639	1.2
213.05525	3.7
213.09209	12.6
214.06305	5.1
215.07135	30.9
215.10725	5.5
216.04298	12.9
216.07716	7.6
217.08687	77.8
218.09010	4.3
224.04788	2.3
225.09174	10.1
227.03487	6.8
227.07143	3.3
227.10785	32.3
227.13084	1.6
228.04201	4.1
228.07834	2.2
228.11082	1.5
229.08640	10.4
231.06679	10.5
231.10245	20.4
241.08658	2.1
242.05887	1.8
243.10207	15.6
245.08168	50.6
245.11810	30.5
246.08607	2.9
247.09807	1.6
253.08673	2.3
255.02786	1.5
257.08188	73.9
258.08456	4.5
258.11176	1.5
261.11316	21.2
271.09750	31.3
272.10123	1.8
275.09296	6.8
284.03223	3.9
285.04010	5.2
289.07196	21.5
289.10800	100.0
290.11096	7.2
315.08765	8.7
333.09766	22.7
334.10217	1.9
377.08789	14.1
593.14819	11.3
594.15198	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.6868
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01393	6.8
71.61307	0.9
73.02961	5.7
75.00867	1.1
81.03458	5.8
83.01371	1.9
83.05027	14.8
85.02959	1.5
89.02431	1.3
100.07658	0.6
101.02446	7.4
108.04551	0.8
109.02922	1.6
113.02421	2.7
119.04972	0.6
125.07201	0.9
135.04550	1.1
149.04572	1.1
161.02470	0.9
161.04608	3.2
203.05547	0.8
224.17717	2.9
225.16096	10.4
233.09302	0.7
255.03023	1.2
256.03375	0.6
284.03250	1.4
285.04016	2.9
286.04312	0.7
333.22617	0.8
341.29129	0.9
367.27173	1.0
373.22745	1.0
432.21503	0.7
433.31671	0.7
450.34735	0.8
451.32919	7.9
505.26614	2.5
532.11047	0.6
555.59595	0.6
593.33173	0.6
593.43713	0.6
664.52032	0.7
677.49231	0.9
791.60321	0.7
903.66528	100.0
904.66833	21.1
919.26611	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.5954
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	1.5
89.02445	0.3
91.04007	0.2
93.03463	0.8
95.05055	0.2
97.03058	0.2
98.19827	0.4
100.24239	0.2
101.99568	0.2
116.92853	0.6
117.03480	0.6
123.04497	0.5
145.02919	0.6
163.01649	0.2
169.06529	0.3
180.13557	0.2
181.06606	0.3
182.07407	0.2
183.08142	0.7
188.64798	0.2
193.06519	0.2
208.05296	0.2
209.06123	0.8
210.06860	15.1
211.07640	100.0
212.07979	5.1
224.69438	0.2
247.75142	0.2
257.21301	0.6
271.22784	0.5
277.21756	0.3
291.19629	0.3
309.20673	0.5
310.20923	0.4
397.13400	0.2
477.27954	0.2
576.05450	0.3
579.83820	0.2
668.18707	0.2
683.47839	1.0
811.09454	0.3
821.52521	0.3
877.55316	0.4
895.55975	4.0
896.56378	0.8
969.58765	0.6
970.61768	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.4499
Annotation	Unknow
Peak:m/z	Relative Intensity
66.48333	1.7
69.03458	2.1
69.37224	17.2
71.01389	74.8
72.99310	4.7
73.02953	57.3
76.10052	2.5
80.88354	2.4
83.01389	22.6
83.72015	2.3
85.02963	17.3
85.10608	1.8
86.49715	1.9
87.00892	4.3
87.04510	5.0
89.02448	19.3
95.01389	3.9
99.00876	5.0
101.02453	66.2
101.06077	6.0
103.59566	2.4
108.02198	3.7
109.03027	2.5
113.02457	22.5
119.03501	6.4
122.06097	2.3
125.02369	2.8
125.06042	3.6
131.03520	4.3
135.04512	3.6
138.05585	2.3
143.03502	5.0
149.04533	2.4
157.53799	1.9
159.02939	2.8
160.03984	3.6
161.00064	2.1
161.04573	15.3
165.12839	10.3
177.12872	2.6
179.05586	2.3
187.02631	2.8
191.03447	4.0
207.13914	18.1
211.03972	6.3
212.04703	2.1
219.13965	4.9
221.06654	2.6
221.15417	7.4
227.07127	18.3
231.13939	2.6
249.14941	8.7
255.19711	5.2
285.04132	3.0
306.07401	2.8
399.23883	100.0
400.24347	11.5
417.25003	64.8
418.25299	4.3
452.18134	2.6
455.13425	4.6
459.25995	62.3
460.26221	7.9
470.19315	2.7
627.24475	8.1
959.37537	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	951.4445
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03458	3.3
69.60232	1.8
69.60633	2.2
71.01389	71.6
72.01756	0.8
72.06021	0.5
72.99310	4.0
73.02953	91.2
74.03295	1.1
75.00882	1.9
77.25089	0.5
81.03460	1.3
83.01394	27.7
84.01694	0.7
85.02962	10.6
87.00894	2.6
87.88609	0.6
89.02449	22.7
95.01381	3.3
97.02969	2.5
99.00901	1.3
99.04543	0.7
101.02450	100.0
102.02789	1.4
113.02454	33.7
114.02729	0.7
119.03508	15.9
125.02454	4.5
131.03513	10.9
143.03510	11.9
147.02975	1.0
149.04561	28.5
150.04851	0.7
155.03487	3.4
160.83566	0.7
161.04565	50.1
162.04881	2.0
179.05617	2.0
203.05603	6.8
221.06680	23.7
236.04788	0.6
371.20581	3.9
380.74734	0.6
389.21771	3.4
429.21500	0.7
431.22845	26.2
432.23041	2.3
650.72046	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
68.74787	2.3
70.04053	2.4
71.01388	50.5
71.61822	3.3
72.99303	3.3
73.02940	14.8
83.01407	8.4
83.47220	2.8
85.02949	21.0
87.00898	4.7
87.04546	3.7
89.02451	25.1
95.01405	3.8
99.00905	5.6
99.62911	2.8
101.02456	31.4
101.06084	10.0
113.02444	22.4
119.03484	7.5
125.02390	3.3
143.03510	3.4
145.02869	3.2
151.00403	2.8
161.04515	12.5
174.62648	3.1
248.07846	3.4
255.02979	5.1
255.19795	3.3
271.02432	9.9
300.02786	23.4
301.03497	17.3
399.23874	100.0
400.24179	11.8
417.24969	76.7
418.25189	7.2
428.38052	3.1
447.09302	42.4
447.22244	6.1
448.09924	6.8
459.19510	5.4
459.26025	80.5
460.26117	10.8
644.08185	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	959.4496
Annotation	Unknow
Peak:m/z	Relative Intensity
67.62187	1.9
71.00993	4.1
71.01389	75.8
72.99339	3.0
73.02958	73.1
83.01390	24.7
85.02961	15.6
87.04509	4.8
89.02435	20.0
95.01394	4.8
97.02936	2.7
99.00878	4.2
101.02453	74.6
101.06070	8.4
108.02185	4.0
113.02447	23.0
119.03515	6.7
125.02445	3.9
125.06102	2.4
131.03539	2.3
143.03448	5.3
145.02977	2.2
159.02921	3.2
161.04561	15.5
165.12827	8.1
179.05579	2.2
179.81126	1.9
203.14345	3.2
207.13924	25.1
208.14276	2.5
211.03897	2.4
219.13898	6.0
221.15446	7.0
227.07153	8.9
231.13853	6.0
238.72540	2.1
249.14998	7.2
255.19690	3.4
297.20621	2.9
349.57990	2.0
399.23874	100.0
400.24039	11.2
417.24915	75.0
418.25296	7.5
459.25995	74.6
460.26443	9.0
470.19110	2.5
578.10138	2.1
631.86572	2.3
959.39294	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	951.4445
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01390	17.9
72.99289	1.0
73.02955	4.4
74.12466	0.3
75.00843	0.6
75.43427	0.3
83.01377	2.3
85.02957	6.6
87.00894	0.7
89.02457	10.2
95.01384	1.3
99.00885	1.6
100.76952	0.3
101.01777	0.6
101.02454	12.5
113.01689	0.5
113.02461	8.6
119.03493	3.2
129.01933	0.4
143.03523	1.0
151.62505	0.4
159.02960	1.1
161.04570	6.6
168.67024	0.4
179.05679	0.5
227.16566	0.5
339.13135	0.4
371.20999	0.9
389.21854	19.1
390.22198	1.7
414.42773	0.4
431.22879	100.0
432.23267	9.4
433.20792	2.2
434.21164	0.5
475.21881	2.9
476.22079	0.6
583.52185	0.4
632.26257	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.4814
Annotation	Unknow
Peak:m/z	Relative Intensity
78.99725	15.1
80.49068	12.0
98.20103	100.0
106.95411	13.1
117.54379	13.2
146.52180	14.0
178.48541	12.4
209.11790	31.3
225.87813	12.5
229.33636	12.6
229.49098	13.8
399.12079	14.1
502.44077	13.2
895.88489	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
69.64751	0.4
70.06570	2.1
70.90605	0.4
73.02944	0.6
74.54745	0.4
80.56423	0.4
85.02938	0.7
93.65320	0.5
95.53893	0.5
98.58596	0.4
101.02464	0.6
108.02190	1.0
109.02200	0.7
109.02962	11.7
110.03281	0.6
115.05589	0.6
118.64776	0.5
121.02997	0.5
130.04189	0.4
131.04993	0.9
132.02182	0.6
133.02969	2.5
134.03754	0.7
135.00890	0.9
135.03494	0.7
135.04529	14.3
137.02415	0.8
137.79907	0.4
141.03436	0.5
143.05045	2.3
145.02940	1.6
147.04503	1.2
158.03706	0.9
159.04526	17.1
160.04840	0.8
161.02444	4.3
167.05032	0.6
169.06604	0.4
170.03775	0.7
171.04514	7.9
173.02434	1.2
173.06082	0.5
174.03156	0.9
175.04008	1.2
176.01218	0.7
177.05605	0.6
181.02962	0.9
182.03708	0.7
183.04503	1.4
185.06091	2.4
187.03976	0.9
189.05508	1.2
194.63374	0.4
195.04507	1.4
196.05254	1.2
197.02440	1.1
197.06041	1.8
198.03221	4.9
199.04012	22.6
200.04442	1.1
201.01953	0.6
203.03497	2.7
209.06143	1.5
211.04001	2.1
212.04866	2.1
213.02010	0.6
213.05542	4.5
214.05977	0.5
217.05005	2.9
217.06752	0.4
221.06071	1.0
223.04015	1.1
223.07492	0.6
224.04871	0.5
225.02022	0.6
225.05533	0.9
226.02728	1.4
227.03462	1.8
229.05144	0.6
235.03893	0.5
235.07675	1.0
237.05539	2.0
239.03543	1.5
239.07166	0.7
240.04277	8.8
241.05063	34.0
242.05455	1.7
243.03038	3.3
245.04402	2.3
249.05621	1.4
250.06174	0.7
251.07147	0.7
253.05009	1.2
255.06531	0.7
263.07111	1.7
264.04282	1.0
265.05042	2.5
266.05795	0.5
267.03036	2.4
267.06540	1.1
273.92578	0.5
277.05179	0.4
279.06674	1.0
281.04459	2.3
283.06134	20.5
284.06454	1.1
285.04095	5.7
287.07297	0.6
289.05176	0.4
290.05850	1.1
291.06625	4.2
292.03662	0.6
292.07257	0.7
293.04504	1.2
295.06079	0.8
298.06174	0.5
299.07098	0.8
307.06094	1.6
308.06970	4.4
309.04077	10.1
309.07495	0.8
310.04568	0.9
313.08536	0.9
315.06662	1.3
316.07263	1.0
317.04721	0.6
317.08224	1.5
323.05682	4.9
324.05927	0.6
327.04987	0.6
331.09741	0.7
335.05621	11.6
336.06219	1.5
340.07379	0.5
341.08185	1.0
359.09250	2.6
360.06546	0.5
375.09003	0.6
401.10458	1.5
402.07208	0.6
403.08173	13.8
404.08777	1.1
445.09296	100.0
446.09631	11.5
489.08286	8.9
490.08548	1.2
686.53912	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.4648
Annotation	Unknow
Peak:m/z	Relative Intensity
83.77764	28.9
98.74218	28.5
101.02504	31.5
109.06554	46.4
116.92852	59.4
118.41569	31.5
125.02453	49.0
154.14508	23.4
167.45790	25.0
207.10284	100.0
209.11584	27.4
225.11346	60.9
261.16806	26.5
277.21640	38.0
278.21967	62.7
323.75079	24.3
527.25647	29.5
553.36670	26.1
685.53717	31.1
701.38843	40.2
716.62274	29.0
745.40320	30.0
886.47986	79.6
923.65027	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01863	1.6
69.03455	4.2
69.46877	2.9
69.47295	8.0
71.00990	3.0
71.01382	57.2
72.90469	1.3
72.99319	1.4
73.02946	35.4
80.11963	1.4
83.01385	11.0
85.02953	18.6
87.00871	6.2
87.29221	1.4
88.28039	1.3
89.02437	14.9
91.65822	1.4
95.01415	3.5
95.05013	1.6
97.02953	4.5
99.00867	8.2
101.02444	38.8
107.05022	4.1
111.00865	2.5
111.08191	1.6
113.02456	21.0
119.03481	6.2
125.02409	2.0
129.01944	1.8
131.03482	2.4
135.08199	1.3
138.31000	1.5
139.07666	1.8
143.03493	3.6
148.05254	2.0
148.54283	1.7
149.04515	2.2
153.12807	3.1
155.03453	1.9
158.79994	1.5
161.04539	11.5
161.09682	3.0
163.11276	47.6
165.09175	4.3
165.12865	1.6
171.08145	3.9
177.09149	2.5
179.10710	3.3
181.12344	100.0
182.12704	6.4
186.87457	1.7
187.11278	14.4
189.12830	24.4
190.09984	25.1
203.05571	11.0
203.10724	2.0
204.11472	4.5
205.12338	36.6
206.12556	2.1
217.12413	1.9
223.09804	3.4
223.13445	11.4
229.12361	5.0
233.52882	1.5
241.14247	1.5
247.13287	8.5
283.42676	1.5
349.16483	20.8
350.16806	2.1
367.17593	22.4
385.18677	4.5
389.21759	13.0
409.18747	8.5
427.19702	71.5
428.19989	6.6
431.22827	72.9
432.22934	8.3
433.20963	2.2
461.10126	1.6
488.74341	1.8
513.30542	1.6
544.01874	1.7
561.21411	1.9
655.53668	1.6
731.00159	1.6
880.59576	1.9
901.24432	2.2
951.91815	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	944.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
70.76414	49.2
71.01405	17.0
83.45232	15.8
86.65716	17.2
89.02428	27.3
106.46537	16.1
110.04633	15.5
119.01974	14.7
148.52887	14.1
223.13406	100.0
224.13727	53.8
225.14146	24.7
254.19228	15.7
272.78546	15.7
277.21689	47.3
278.22061	38.4
296.56271	14.7
335.19540	18.7
379.91965	19.9
382.75388	19.8
397.13550	18.9
425.15640	20.2
944.56970	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	946.4658
Annotation	Unknow
Peak:m/z	Relative Intensity
71.61993	59.6
106.11398	37.8
116.92844	73.3
207.10194	88.9
208.10570	52.4
216.61475	35.3
225.11346	40.8
242.66954	36.3
277.21652	100.0
397.13379	49.2
492.85114	42.1
510.47079	35.6
790.96863	49.7
837.95807	40.8
886.47845	78.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
65.70920	0.6
70.40702	0.5
70.94749	1.5
93.03480	0.8
107.01421	1.8
108.02164	0.6
117.03480	2.8
119.05032	2.5
120.51496	0.6
123.00898	0.6
129.90536	0.6
135.00876	0.7
135.04453	0.8
145.02940	8.6
151.00394	3.3
163.00375	1.8
163.04062	1.3
170.21454	0.8
180.00720	0.6
185.06139	1.0
187.03990	1.8
211.03999	2.2
213.05525	1.2
227.03506	19.6
228.03995	1.4
229.04979	5.3
233.40649	0.6
239.03456	1.0
241.05066	0.8
255.02991	35.1
256.03616	5.9
257.04553	4.5
262.08270	0.7
268.98816	0.6
284.03271	45.1
285.04031	50.6
286.04401	3.9
307.08255	1.7
325.03528	1.4
444.11331	0.6
447.09265	1.5
593.13025	100.0
594.13312	16.6
702.54907	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
68.95245	0.5
71.01386	11.5
72.01715	0.5
72.99304	0.8
73.02943	4.8
77.56815	0.4
83.01404	2.6
85.02958	4.1
87.00877	1.0
89.02447	9.3
93.03448	0.4
99.00864	1.4
101.02451	14.5
107.01374	3.1
108.02120	0.5
109.02281	0.4
109.02949	2.4
113.02453	3.0
115.07656	47.2
116.07992	1.7
119.03492	0.6
121.02943	2.2
125.02447	1.8
129.09175	1.5
131.03514	9.6
135.00880	0.7
139.07690	0.5
143.03447	0.9
148.01649	0.9
149.02443	0.8
149.04559	8.8
151.00381	11.3
152.56735	0.4
157.08684	1.8
161.04507	0.8
163.00398	2.8
164.01067	0.6
169.01414	0.7
175.09798	0.5
177.01952	0.5
178.99863	5.0
185.40526	0.4
187.03961	0.6
187.09767	1.1
191.05632	6.8
199.09648	0.5
201.05475	0.9
203.05553	1.1
211.04034	1.2
226.02686	0.4
227.03479	2.0
229.05009	1.2
233.06670	13.7
234.07118	0.6
243.02974	5.4
245.04564	1.6
247.11850	3.4
251.07605	0.6
254.02113	1.1
255.02983	16.9
256.03314	1.5
271.02472	30.4
272.02875	2.7
273.03983	1.2
273.27240	0.4
283.02383	1.6
287.90875	0.4
289.12949	7.9
290.13275	0.5
299.01962	0.7
300.02762	61.3
301.03503	48.3
301.06183	0.6
301.07193	0.5
302.03818	3.4
317.66275	0.5
323.01910	0.5
331.13977	5.1
332.14401	0.6
335.09778	1.3
349.14822	0.8
353.11017	2.1
431.20264	0.4
447.09335	100.0
448.09628	10.2
449.10062	0.7
451.18134	0.6
509.45370	0.5
836.09979	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.5115
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03442	3.4
69.47701	4.2
69.48118	1.5
71.01387	20.1
72.01724	0.7
72.99305	2.4
73.02958	3.9
75.00890	1.1
81.03445	1.0
83.01384	2.8
83.04970	0.7
85.02958	5.8
87.00883	4.1
89.02443	15.3
95.01382	1.8
97.02959	2.8
99.00861	1.2
101.02443	15.9
108.07320	0.7
113.02452	8.7
116.92811	1.0
119.03510	4.2
125.02438	5.9
131.03490	0.7
143.03488	2.7
161.04553	3.5
167.10765	3.2
179.05598	6.1
179.10814	0.9
179.14430	4.3
195.13887	9.1
205.12302	9.2
210.06808	2.0
211.07651	13.8
221.06662	1.1
223.13388	100.0
224.13718	6.6
235.08286	5.7
253.09308	0.8
277.21716	67.3
278.22113	5.2
287.07718	1.7
305.08801	2.9
313.67828	0.7
323.09787	2.2
379.12512	10.8
397.13495	51.9
398.14001	5.2
415.14532	12.4
596.63965	0.8
603.26489	13.5
604.26746	2.0
621.27698	10.9
622.28040	1.6
657.34930	2.2
675.35974	4.8
881.49084	5.0
882.49152	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	941.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
67.23190	0.3
71.01400	1.0
75.00886	1.5
83.01389	1.2
83.91833	0.3
93.03464	24.0
94.03795	0.8
100.98030	0.3
107.05044	1.0
117.03452	1.8
118.99860	3.8
119.05038	11.4
121.02954	1.5
121.06587	1.1
125.02460	2.2
130.04265	1.9
131.05046	9.1
132.05891	0.4
133.06610	7.9
135.04523	1.1
145.02963	8.1
147.04527	18.8
147.79793	0.4
148.04831	0.5
149.06079	5.7
158.03696	2.3
159.04524	10.8
160.04774	0.4
161.02467	0.6
163.04031	1.9
175.04010	3.5
176.04683	0.7
177.05579	100.0
178.05907	4.4
182.82379	0.5
201.05605	0.8
208.46791	0.4
221.04570	1.6
235.17268	0.4
245.04544	1.1
265.03534	7.8
266.03827	0.7
292.02985	0.4
300.52347	0.4
397.13583	0.5
425.21829	2.1
515.22552	1.8
695.40265	3.1
696.40765	0.6
768.33844	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
67.45316	0.3
71.01380	0.8
71.61662	0.6
72.99332	0.4
75.00878	1.2
83.01400	1.3
88.19788	0.3
93.03463	23.0
94.03798	0.7
96.69738	0.4
107.05041	1.0
109.13424	0.3
117.03479	1.3
118.99865	4.3
119.05036	10.7
120.05363	0.4
121.02946	1.3
121.06621	1.5
121.77438	0.4
123.04538	0.5
130.04279	1.8
131.05034	10.8
131.06015	0.6
133.06601	8.9
134.07011	0.4
135.04504	1.3
145.02963	8.2
147.04532	17.4
148.04840	0.7
149.06091	6.2
150.06364	0.4
158.03711	2.3
159.04520	8.0
160.04887	0.8
163.04018	1.9
175.03987	3.1
177.05576	100.0
178.05907	4.6
205.21330	0.4
212.53714	0.4
221.04579	2.8
250.30110	0.3
255.91270	0.3
265.03537	6.4
265.14746	0.8
266.03912	0.4
281.31506	0.5
397.13660	0.6
427.12195	0.4
750.17755	0.4
820.00525	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00332	0.5
69.30228	3.9
69.30605	0.5
71.01384	1.0
72.04818	0.4
73.02946	0.4
101.02448	1.2
107.01395	1.6
108.02177	0.7
109.02943	1.4
111.85213	0.3
113.02435	0.7
114.53017	0.4
121.02969	1.1
125.02470	0.8
133.02939	0.5
135.00888	0.4
135.04585	0.4
139.03979	0.5
145.02925	0.5
148.01729	0.5
151.00386	6.7
153.01959	0.7
161.02458	1.0
163.00340	1.6
163.04004	0.5
177.01961	0.5
178.99855	4.3
187.03923	0.5
199.04128	0.5
204.36826	0.4
226.02727	0.8
227.03477	1.5
229.04970	0.5
243.02945	4.9
244.03372	0.6
245.04494	1.1
254.02124	1.4
255.02986	13.2
256.03397	1.1
271.02475	29.7
272.02835	4.4
273.03314	0.6
283.02512	0.9
299.01923	0.9
300.02750	68.0
301.03442	34.1
302.03705	4.4
303.04108	0.8
330.01703	0.4
416.31549	0.5
431.09836	0.5
447.08804	0.6
448.09723	0.6
463.08801	100.0
464.09076	15.3
465.09531	4.3
707.03760	0.4
726.85938	0.4
827.42023	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	938.397
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03454	0.9
70.02977	7.5
70.81562	0.9
70.81902	2.1
71.01379	3.0
72.00906	1.1
72.04555	9.1
72.99318	0.8
74.02478	27.4
83.02517	1.1
84.04556	2.4
85.02955	1.1
86.02495	1.8
89.02479	1.8
95.01284	0.9
96.99913	4.7
97.04070	3.7
98.02477	3.4
99.00896	2.2
99.05647	12.6
101.02454	2.1
105.08394	1.0
109.02963	14.2
110.00707	3.5
110.03265	1.9
112.04055	2.3
116.92821	1.1
123.01483	3.1
123.05611	2.9
125.03565	3.1
133.03020	1.0
136.02188	1.0
141.06714	37.7
143.04636	8.3
147.04530	1.0
148.05357	1.4
167.04622	0.9
167.10760	1.4
175.02470	0.8
177.05559	2.2
185.05687	11.2
193.04898	1.2
194.08282	0.9
194.10117	3.5
195.13885	2.1
205.12398	2.2
206.11868	1.0
208.06560	0.8
220.11639	1.6
221.09062	0.8
222.09595	6.7
222.13116	1.2
223.13420	7.2
240.10648	13.0
241.11029	1.6
246.31488	1.0
248.11121	2.7
249.14375	1.3
254.12302	1.3
264.14380	1.6
266.12173	10.1
290.12375	2.0
308.13284	19.9
340.92734	1.0
408.19675	2.9
497.21741	1.0
717.94519	0.8
776.32367	1.0
777.36292	1.0
851.35736	1.0
894.39984	5.1
920.38824	3.8
927.19989	0.9
938.39636	100.0
939.39960	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	937.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00334	0.6
68.64262	0.3
69.79140	1.5
69.96873	0.2
71.01408	1.3
73.02949	1.6
83.01379	0.7
83.05029	0.3
98.20510	0.5
101.02451	1.8
107.01365	1.6
108.02194	0.7
109.02946	0.7
110.38241	0.3
113.02479	0.5
121.02969	1.0
125.02443	0.3
131.03386	0.3
133.03026	0.3
135.00935	0.5
148.01643	0.6
149.04539	0.4
151.00380	6.5
161.02461	0.3
161.04556	0.8
163.00349	1.4
163.03967	0.3
164.01102	0.6
169.01474	0.5
177.01881	0.7
178.99866	3.6
187.03958	0.4
188.62335	0.3
193.01440	0.2
196.77151	0.2
197.04550	0.3
211.04076	0.6
226.02734	0.9
227.03421	1.7
239.03307	0.3
243.02985	5.3
244.03252	0.6
245.04430	0.7
254.02252	1.3
255.02991	14.0
256.03448	1.3
271.02490	31.8
272.02856	3.4
273.03784	0.7
283.02368	0.5
299.02097	0.4
300.02762	70.6
301.03458	27.8
302.03839	2.8
316.02591	0.3
343.04410	0.3
355.08463	0.4
463.08841	100.0
464.09152	12.1
464.15735	0.6
465.09570	2.3
509.22415	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.4346
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03458	1.4
71.01389	39.9
71.61298	1.1
72.99327	2.8
73.02954	14.9
74.15177	1.1
76.77082	1.0
83.01376	6.2
85.02956	23.1
87.00889	1.5
89.02455	13.2
95.01413	6.2
99.00899	4.7
101.02452	40.4
108.31731	1.1
111.83095	1.1
113.02459	30.9
119.03520	6.2
131.03508	2.2
143.03493	3.6
149.04582	3.1
159.03001	3.1
161.04572	16.8
177.38901	1.0
179.05614	1.6
209.15430	5.3
221.06711	1.6
266.33624	1.2
323.63501	1.3
353.19739	16.7
354.20050	1.8
371.20767	22.0
372.21155	1.6
389.21790	20.5
390.22223	2.6
413.16223	2.6
413.21826	71.4
414.22290	7.1
431.22858	100.0
432.23386	9.7
433.20584	1.9
475.21902	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	933.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
70.82661	5.7
71.01392	5.7
73.26479	1.9
75.00871	21.8
87.33041	1.7
88.98823	2.7
92.63916	1.8
96.83281	1.9
101.02518	2.4
118.99857	4.0
133.03003	2.6
149.02615	1.9
159.04530	4.5
160.05258	3.2
161.78850	1.9
172.04257	1.8
172.05341	17.6
177.05547	2.0
185.06108	3.7
187.04004	4.8
188.04655	2.3
195.13794	1.8
199.04008	24.0
200.04742	8.0
200.38197	2.0
202.06435	2.5
206.65970	2.1
211.04062	4.1
223.13313	3.6
227.03517	55.1
228.04233	20.8
267.14008	2.0
281.15582	1.9
283.13394	66.1
284.13614	2.8
301.14499	12.1
309.14972	14.0
311.12808	10.7
313.14423	3.0
315.30780	2.1
325.14401	5.8
327.12369	10.1
327.16010	5.8
329.13864	4.3
353.13907	27.7
354.14154	2.5
371.14920	8.5
497.07938	2.0
607.23700	10.6
645.04034	2.6
738.64734	2.3
769.34290	17.7
770.34210	4.8
773.38428	2.8
787.38116	4.7
788.35822	2.3
813.37152	100.0
814.37634	26.1
831.38483	11.5
832.39142	3.2
845.35913	3.9
871.37598	2.4
889.38300	14.0
890.38202	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	931.3983
Annotation	Unknow
Peak:m/z	Relative Intensity
68.08350	0.6
70.47731	0.6
72.99317	1.0
74.84140	0.5
75.00877	2.1
83.01408	1.3
93.03465	22.6
94.03820	1.0
98.19884	2.0
98.20601	2.1
105.79095	0.6
107.05004	1.4
117.03453	1.3
118.99888	4.2
119.05035	10.8
121.02995	1.1
121.06657	1.1
130.04254	2.2
131.05035	9.6
133.06610	8.1
145.02968	7.5
147.04530	18.2
149.06084	5.9
158.03743	2.5
159.04526	9.7
163.04010	1.9
175.03984	3.7
177.05574	100.0
178.05936	5.5
184.47043	0.6
195.13960	0.7
205.12376	0.7
218.11815	0.7
220.30202	0.7
221.04503	2.2
221.86534	0.6
223.13350	6.1
226.18779	0.7
237.24809	0.6
250.68283	0.7
265.03568	6.4
265.14941	0.7
297.55664	0.6
297.60028	0.6
313.67825	0.6
361.20242	0.7
397.13690	0.8
569.91284	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.17
Annotation	Unknow
Peak:m/z	Relative Intensity
69.94125	6.6
71.01370	1.3
75.00886	16.6
85.02906	1.7
93.03445	2.0
98.20637	1.4
107.01418	2.1
109.02974	2.7
119.05032	11.0
133.02965	14.9
135.04544	7.7
150.05632	2.1
151.00389	7.0
161.02452	100.0
162.02802	3.6
163.00375	1.8
163.04019	5.3
175.03931	1.9
178.99875	3.7
179.03494	2.6
183.01425	1.2
187.03857	1.2
193.05093	3.2
193.92517	1.3
219.02980	5.1
227.03497	1.3
237.04041	49.0
238.04430	4.7
239.11946	5.4
243.02989	3.6
255.02945	12.3
271.02496	18.5
272.02893	2.6
273.12314	1.2
279.03030	3.7
300.02765	43.9
301.03476	36.6
302.03955	2.4
304.93283	1.4
308.17636	2.9
362.18719	11.7
363.18704	1.6
380.20197	3.3
406.17566	2.1
436.18680	2.7
447.09338	95.9
448.09631	12.6
483.22513	1.7
484.21216	2.2
502.50534	1.2
570.22424	2.3
600.23694	3.4
632.30658	1.4
706.07306	1.3
718.29681	1.6
887.30249	2.4
901.35767	1.9
920.94305	1.5
931.36188	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	929.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
71.61272	1.5
89.50217	1.1
90.28907	1.0
109.02985	2.1
116.92907	1.1
127.08286	1.1
127.84120	1.1
130.04224	3.3
131.05057	7.0
133.02959	3.5
134.03699	1.1
135.04529	12.6
141.03436	1.3
143.05037	9.6
158.03705	3.8
159.04521	100.0
160.04861	6.1
161.02393	2.3
167.14410	1.9
172.05270	1.8
173.06033	5.9
183.04480	1.4
200.04807	1.2
201.05568	23.8
203.03441	3.5
209.15361	1.9
227.16504	1.2
239.07083	2.1
245.04543	63.0
246.04993	5.1
251.16534	2.4
251.20114	1.5
253.17989	1.0
339.17917	1.4
369.19159	2.9
379.18839	2.2
379.23065	2.0
395.22189	4.1
399.20978	3.5
413.21832	4.8
414.22617	1.4
441.22733	4.0
491.33633	4.3
515.22986	13.2
516.23553	2.8
529.24646	7.1
530.25201	1.4
545.24005	10.6
559.16754	2.0
559.25500	41.0
560.25665	7.4
683.40198	31.5
684.40234	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	929.4542
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01404	1.2
88.98794	2.1
91.04020	1.4
109.02978	1.1
116.92884	0.9
130.04231	3.3
131.05032	7.4
133.02957	4.1
135.04520	12.7
143.05045	8.5
145.06631	2.1
155.92255	0.9
158.03734	3.4
159.04524	100.0
160.04817	4.6
161.02438	2.2
172.05292	2.0
173.06064	5.2
183.04539	2.0
193.15968	1.2
201.05559	23.8
202.05971	1.2
203.03517	3.9
209.15453	1.6
219.17572	1.2
225.05717	1.5
226.06398	1.1
239.07089	1.7
245.04561	66.8
246.04929	3.6
249.35022	1.1
251.16602	1.4
281.17493	1.7
287.62537	1.1
325.16458	1.3
339.18231	1.4
341.52545	1.1
368.92197	1.0
369.19370	2.4
379.18903	1.9
381.20642	1.4
393.20734	2.5
395.22229	4.7
399.20325	5.1
413.21887	4.8
427.20798	1.1
441.22836	2.7
445.33301	1.1
491.33807	2.4
492.34027	1.1
515.22809	12.3
516.22925	1.4
529.24353	10.6
530.24811	1.3
545.23975	10.4
559.25555	34.4
560.25665	4.8
683.40173	32.1
684.40308	6.9
789.47412	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00336	0.5
65.60831	0.3
66.86069	0.3
69.55955	0.4
92.75977	0.3
107.01387	1.4
108.02203	1.0
109.02953	0.7
121.02950	1.2
130.91206	0.3
135.00864	0.4
148.01701	0.8
149.02370	0.4
149.37096	0.4
151.00383	6.8
163.00403	1.6
178.99886	3.7
199.03989	0.4
202.34056	0.3
211.03961	0.6
226.02765	0.7
227.03528	1.4
229.04991	0.6
243.02986	4.8
245.04558	0.5
249.42175	0.3
254.02242	1.3
255.02979	14.4
256.03455	0.8
271.02487	28.8
272.02872	2.3
273.04150	0.4
283.02344	0.7
299.02032	0.7
300.02756	66.5
301.03482	31.1
301.47537	0.3
302.03833	2.3
321.54959	0.4
431.23145	0.5
451.33127	0.5
463.08823	100.0
464.09140	9.2
706.07172	0.4
820.82867	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.4969
Annotation	Unknow
Peak:m/z	Relative Intensity
69.83074	90.2
69.83489	29.6
71.02630	20.1
116.92897	44.6
134.88699	19.4
153.62935	20.5
209.11870	38.1
210.06776	20.4
211.07599	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	927.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00333	0.6
69.39454	0.8
69.39893	0.9
83.01393	0.4
96.17670	0.2
107.01398	1.6
108.02190	0.8
109.02951	0.6
109.14055	0.2
121.02971	1.0
125.02436	0.3
135.00874	0.5
148.01695	0.9
151.00380	6.9
152.00615	0.3
156.66394	0.2
159.04492	0.3
163.00368	1.5
163.04091	0.2
164.01112	0.4
178.99873	3.5
187.04025	0.3
190.99907	0.2
193.01361	0.2
198.03133	0.2
199.04027	0.4
201.05560	0.4
211.04057	0.7
226.02734	0.8
227.03433	1.4
229.04872	0.3
243.02988	5.3
244.03413	0.5
245.04503	0.6
254.02167	1.4
255.02994	14.6
256.03345	1.0
271.02481	32.6
272.02957	2.9
273.03998	0.5
283.02466	0.9
299.01974	0.8
300.02759	72.8
301.03485	28.2
302.03882	1.7
316.02338	1.0
317.03055	0.4
343.04794	0.4
396.06711	0.2
463.08829	100.0
464.09143	10.6
531.73798	0.2
936.70477	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00320	1.0
68.30489	0.3
71.01378	1.2
71.61041	0.3
73.02937	0.5
73.36613	0.2
81.20708	0.2
83.01399	0.9
85.02939	0.6
93.78090	0.2
95.40392	0.2
99.00908	0.4
101.02467	0.7
104.35004	0.2
107.01384	2.0
108.02200	0.7
108.76954	0.2
109.02970	1.6
113.02449	0.5
121.02956	2.2
121.33273	0.3
125.02442	0.5
132.25797	0.2
135.00908	0.7
145.03011	0.3
148.01695	0.7
149.02489	0.3
151.00377	10.4
152.00752	0.7
159.04547	0.3
161.02443	0.6
161.04596	0.3
163.00391	2.3
164.01083	0.7
169.01378	0.5
178.99869	4.8
180.00356	0.3
183.04550	0.5
187.04135	0.4
190.99844	0.3
192.00676	0.2
197.11830	0.3
199.03984	0.4
201.05542	0.4
211.03929	1.0
215.03510	0.3
216.04341	0.3
226.02696	0.5
227.03503	1.5
228.04126	0.3
229.05048	0.9
239.03424	0.4
243.02995	4.8
244.03323	0.4
245.04466	1.7
254.02235	0.9
255.02986	15.0
256.03384	2.0
257.04062	0.3
266.02164	0.3
271.02490	27.4
272.02927	3.8
273.03571	0.8
283.02527	1.3
284.03094	0.7
285.03992	0.4
289.07059	0.3
299.02176	0.8
300.02765	57.0
301.03485	44.9
302.03745	5.6
303.04034	1.5
304.04465	0.6
314.40155	0.3
373.22440	0.6
391.23392	1.4
392.23804	0.3
433.24985	1.6
447.09329	100.0
448.09665	16.4
449.09903	4.0
450.10239	1.9
451.10303	0.7
477.19485	0.9
707.22375	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	924.4812
Annotation	Unknow
Peak:m/z	Relative Intensity
71.13132	90.8
84.82594	35.1
172.92485	34.5
207.10286	100.0
208.10422	52.2
225.11305	46.8
255.23254	48.5
307.30353	46.0
317.96356	43.3
864.49170	74.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	924.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
69.66261	100.0
72.83148	15.6
73.61419	16.1
98.20644	18.9
116.92864	68.2
137.81178	16.9
182.06161	17.3
219.10814	19.1
332.13150	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00320	1.0
68.30489	0.3
71.01378	1.2
71.61041	0.3
73.02937	0.5
73.36613	0.2
81.20708	0.2
83.01399	0.9
85.02939	0.6
93.78090	0.2
95.40392	0.2
99.00908	0.4
101.02467	0.7
104.35004	0.2
107.01384	2.0
108.02200	0.7
108.76954	0.2
109.02970	1.6
113.02449	0.5
121.02956	2.2
121.33273	0.3
125.02442	0.5
132.25797	0.2
135.00908	0.7
145.03011	0.3
148.01695	0.7
149.02489	0.3
151.00377	10.4
152.00752	0.7
159.04547	0.3
161.02443	0.6
161.04596	0.3
163.00391	2.3
164.01083	0.7
169.01378	0.5
178.99869	4.8
180.00356	0.3
183.04550	0.5
187.04135	0.4
190.99844	0.3
192.00676	0.2
197.11830	0.3
199.03984	0.4
201.05542	0.4
211.03929	1.0
215.03510	0.3
216.04341	0.3
226.02696	0.5
227.03503	1.5
228.04126	0.3
229.05048	0.9
239.03424	0.4
243.02995	4.8
244.03323	0.4
245.04466	1.7
254.02235	0.9
255.02986	15.0
256.03384	2.0
257.04062	0.3
266.02164	0.3
271.02490	27.4
272.02927	3.8
273.03571	0.8
283.02527	1.3
284.03094	0.7
285.03992	0.4
289.07059	0.3
299.02176	0.8
300.02765	57.0
301.03485	44.9
302.03745	5.6
303.04034	1.5
304.04465	0.6
314.40155	0.3
373.22440	0.6
391.23392	1.4
392.23804	0.3
433.24985	1.6
447.09329	100.0
448.09665	16.4
449.09903	4.0
450.10239	1.9
451.10303	0.7
477.19485	0.9
707.22375	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.4863
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	57.1
73.02953	19.7
83.01373	10.9
85.02958	30.5
87.00881	4.5
89.02429	4.0
95.01399	4.4
97.02977	2.0
99.00889	9.3
100.30857	2.0
101.02447	49.7
101.03082	3.2
101.38465	1.9
112.27467	2.0
113.02459	25.2
119.05030	4.5
125.02426	3.1
143.03506	2.7
146.51353	1.8
159.02994	7.0
161.04587	16.3
167.49695	2.0
229.90932	2.3
301.03271	2.2
330.42145	2.0
357.22528	1.9
375.23889	73.0
376.24265	6.5
417.24960	100.0
418.25430	9.9
750.07312	1.9
820.96564	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	923.4871
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01391	61.5
71.61670	2.5
72.99287	3.1
73.02953	22.5
75.00867	4.2
77.30865	2.3
83.01387	15.0
85.02955	32.5
87.00903	3.2
88.06465	2.2
89.02454	11.6
95.01379	5.5
97.02919	2.2
99.00892	8.2
100.00410	3.2
101.02451	54.6
105.70146	2.1
113.02455	29.2
119.03536	4.7
125.02464	2.8
127.94299	2.0
135.04536	16.4
136.04834	3.1
140.66191	2.9
142.06627	5.3
143.03494	5.5
159.03012	6.7
161.02434	6.5
161.04546	24.3
177.14348	2.5
229.06192	10.2
300.02731	4.7
301.03329	3.2
357.22672	3.6
365.11386	6.2
366.11713	2.8
375.23907	100.0
376.24316	8.9
417.19910	5.0
417.25034	96.0
418.25174	14.0
419.22888	5.8
420.23163	2.7
463.09171	3.1
683.69434	3.0
737.91333	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	922.5016
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	13.4
93.28664	13.8
98.19852	48.9
116.92818	100.0
133.89404	15.2
223.13332	55.5
224.13733	21.0
224.85083	14.6
247.48308	14.5
255.23328	31.9
276.96887	15.7
376.84937	18.4
423.36368	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	923.449
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03465	2.2
71.01390	81.5
71.61794	1.9
72.99309	3.3
73.02953	56.5
75.00893	1.6
83.01392	20.9
85.02959	20.5
87.00882	3.3
87.04521	3.4
89.02456	21.8
95.01385	4.8
97.02973	2.9
99.00871	6.0
101.02451	69.1
101.06098	7.0
113.02464	36.2
119.03505	9.5
125.02403	5.0
131.03476	4.2
143.03503	5.6
149.04559	6.9
159.03040	2.1
161.04570	22.4
176.86520	1.2
179.05603	2.2
203.05658	1.8
211.04063	10.1
211.13504	1.2
212.04713	3.0
221.06686	3.1
227.07161	28.7
228.07422	1.8
252.32240	1.0
255.19543	3.1
297.20679	3.0
346.44345	1.1
351.21768	1.6
381.23004	1.1
399.23880	100.0
400.24243	12.6
417.24969	69.7
418.25296	7.8
459.26035	57.0
460.26389	7.9
591.23676	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	921.5071
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	23.8
71.50118	4.4
73.02960	3.4
76.09676	3.2
81.03423	3.6
83.01398	5.2
83.05011	4.0
85.02941	6.3
87.00873	7.0
89.02460	18.7
94.12610	2.7
97.02953	16.0
99.00869	5.5
101.02435	22.1
106.83052	3.7
109.06596	36.5
113.02458	10.2
116.92825	3.5
117.94246	3.1
119.03502	3.0
121.06611	3.4
125.02434	6.5
135.08180	4.1
142.02634	2.8
143.03471	3.6
163.11295	20.1
179.05577	4.0
181.12379	3.9
198.71404	3.2
207.10269	100.0
208.10558	5.0
209.11726	4.4
221.06720	3.4
225.11299	39.6
235.08247	5.9
255.23315	95.2
256.23575	6.8
268.00845	2.9
379.12265	8.1
397.13474	54.8
398.13754	5.5
415.14703	15.9
605.24457	8.6
653.37860	6.5
755.55481	3.9
822.54541	3.6
861.48566	64.4
862.47485	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	921.3614
Annotation	Unknow
Peak:m/z	Relative Intensity
71.00990	1.3
71.01385	24.6
72.99301	1.4
73.02953	13.8
75.00892	0.8
79.74188	0.6
83.01375	4.1
85.02956	6.3
85.18225	0.6
86.48253	0.6
87.00891	2.0
89.02451	13.8
93.83493	0.5
95.01363	1.8
99.00888	1.0
101.02454	18.7
101.67838	0.5
102.02744	0.5
103.14748	0.5
113.02455	11.4
114.02785	0.7
119.03497	5.7
119.04928	0.7
121.02950	6.8
125.02422	1.2
131.03510	1.5
135.04515	0.9
139.07639	1.9
143.03493	2.6
149.04572	1.7
153.09209	6.7
157.40576	0.5
161.04532	4.9
179.05597	1.1
181.08748	2.7
209.11757	1.2
221.06567	1.4
221.99812	0.5
229.12396	0.6
243.15982	6.4
351.10703	0.8
375.16516	1.0
387.20242	32.7
388.20731	2.2
405.21262	8.8
433.89291	0.6
447.22354	100.0
448.22763	10.8
491.21313	3.0
612.34644	0.7
944.71240	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.3614
Annotation	Unknow
Peak:m/z	Relative Intensity
71.00990	1.3
71.01385	24.6
72.99301	1.4
73.02953	13.8
75.00892	0.8
79.74188	0.6
83.01375	4.1
85.02956	6.3
85.18225	0.6
86.48253	0.6
87.00891	2.0
89.02451	13.8
93.83493	0.5
95.01363	1.8
99.00888	1.0
101.02454	18.7
101.67838	0.5
102.02744	0.5
103.14748	0.5
113.02455	11.4
114.02785	0.7
119.03497	5.7
119.04928	0.7
121.02950	6.8
125.02422	1.2
131.03510	1.5
135.04515	0.9
139.07639	1.9
143.03493	2.6
149.04572	1.7
153.09209	6.7
157.40576	0.5
161.04532	4.9
179.05597	1.1
181.08748	2.7
209.11757	1.2
221.06567	1.4
221.99812	0.5
229.12396	0.6
243.15982	6.4
351.10703	0.8
375.16516	1.0
387.20242	32.7
388.20731	2.2
405.21262	8.8
433.89291	0.6
447.22354	100.0
448.22763	10.8
491.21313	3.0
612.34644	0.7
944.71240	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00332	0.9
69.47459	0.8
69.47861	2.9
71.01372	0.9
73.02949	1.4
83.01385	0.7
91.01952	0.5
95.04902	0.5
107.01384	1.9
108.02172	0.7
109.02953	1.1
121.02942	2.1
123.00943	0.5
125.02420	0.5
129.12146	0.5
130.78078	0.5
135.00864	0.6
151.00385	9.1
161.04565	0.6
163.00365	2.1
169.01454	0.7
178.99884	5.4
180.54906	0.5
211.03952	1.2
226.02658	0.8
227.03526	2.0
243.02980	4.8
244.03326	0.6
245.04462	1.5
251.39688	0.6
254.02060	0.7
255.03001	15.7
256.03421	1.6
271.02487	25.7
272.02957	2.3
273.04056	1.0
283.02432	1.6
300.02759	57.0
301.03516	45.1
302.04053	2.5
447.09338	100.0
448.09641	10.6
784.67560	0.5
785.91803	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.4551
Annotation	Unknow
Peak:m/z	Relative Intensity
69.27479	16.5
71.01389	76.7
71.98849	1.7
72.01686	2.0
72.99303	3.3
73.02951	25.1
75.00854	1.7
83.01407	10.5
83.77452	1.8
85.02962	42.5
87.00890	2.9
89.02457	15.1
95.01389	3.6
97.02948	3.5
99.00877	12.3
101.01774	2.9
101.02451	60.2
107.49803	1.9
113.02455	32.9
119.03503	5.9
143.03500	5.3
153.09535	2.1
159.02997	5.7
161.04578	27.9
184.42525	1.6
245.99095	2.0
252.23506	1.9
373.22354	100.0
374.22681	8.5
415.23428	89.9
416.23804	8.3
417.21368	5.5
604.27045	2.1
624.12231	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	919.4195
Annotation	Unknow
Peak:m/z	Relative Intensity
69.65189	1.7
71.01395	0.7
72.99305	0.6
73.75239	0.4
75.00880	1.4
83.01393	1.4
93.03464	21.8
94.03867	0.5
96.95432	0.3
96.96016	8.2
98.20628	0.6
107.05013	0.6
117.03447	0.9
118.99874	3.4
119.05042	8.4
120.05321	0.4
121.02979	0.9
121.06612	0.9
130.04262	1.2
131.05042	8.3
133.06609	6.6
135.04510	0.9
145.02959	7.5
147.04532	15.8
148.04868	0.7
149.06085	5.7
158.03728	2.3
159.04530	6.4
161.02583	0.5
163.03989	1.7
175.03984	3.7
177.05579	100.0
178.05922	4.9
188.14259	0.4
193.05270	0.4
220.11150	0.4
221.04648	2.3
265.03522	9.4
265.06134	0.7
265.14780	12.4
266.15256	0.9
280.95395	0.4
906.27094	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.4548
Annotation	Unknow
Peak:m/z	Relative Intensity
65.65221	0.5
69.03467	3.3
69.60041	3.5
71.01386	74.2
72.01732	0.9
72.99308	2.9
73.02951	100.0
73.57197	0.5
74.03305	1.7
75.00877	2.1
80.13197	0.5
81.03457	0.8
83.01390	31.3
84.32594	0.6
85.02957	11.7
87.00893	1.9
89.02447	18.1
95.01396	4.2
97.02952	2.0
99.00884	1.7
101.02449	95.3
102.02802	2.0
113.02452	41.9
113.19820	0.7
114.02803	0.7
119.03513	13.4
125.02475	4.0
128.17619	0.5
131.03519	10.7
143.03508	11.9
147.02998	0.7
149.04567	24.0
150.04875	0.9
155.03545	3.0
157.35902	0.6
161.04565	42.4
162.04898	1.5
179.05606	1.1
182.64679	0.6
191.05603	0.8
192.97086	0.6
203.05611	5.8
221.04523	0.7
221.06664	13.2
301.18890	0.5
317.33401	0.8
373.22250	2.4
404.09225	0.6
415.23532	6.7
576.32874	0.7
576.86597	0.6
593.14496	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
65.51628	0.2
71.01398	0.4
71.60748	0.3
71.61145	0.3
75.00894	0.6
79.95715	1.8
83.01395	0.3
93.03467	8.5
96.96017	70.8
98.20181	0.3
117.03490	0.5
118.99875	1.7
119.00594	0.3
119.05027	3.7
121.03009	0.4
121.06610	0.4
125.02353	0.4
128.25493	0.2
130.04225	0.8
131.05049	3.9
133.06616	3.2
145.02994	3.2
147.04535	6.4
149.06090	2.0
158.03740	1.2
159.04524	3.6
163.04018	0.6
175.04080	1.3
177.05579	38.6
178.05919	2.3
221.04626	0.7
265.03641	2.7
265.14789	100.0
266.15115	5.0
305.27814	0.2
328.02371	0.2
445.49020	0.2
507.45398	0.2
942.94543	0.3
946.90619	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	16.8
75.73650	5.3
85.02946	6.0
89.02452	15.8
100.84145	4.6
101.02449	13.3
110.56126	5.1
113.02474	6.2
125.02464	6.3
140.02187	5.3
179.05618	7.8
205.12372	8.6
221.06842	5.4
223.13393	100.0
224.13779	6.6
277.21738	53.9
305.08774	5.6
379.12277	8.7
397.13492	57.0
415.14719	10.5
603.26355	20.3
621.27612	19.0
657.34570	5.8
770.29779	6.0
881.49500	16.1
917.46295	47.3
918.47247	14.0
942.71136	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	917.4396
Annotation	Unknow
Peak:m/z	Relative Intensity
64.41426	1.2
69.03443	3.1
71.01388	100.0
71.62350	2.2
71.63023	1.3
72.01727	2.7
72.99315	3.1
73.02953	79.5
73.47229	1.2
75.00868	2.5
80.37924	1.1
83.01398	29.3
85.02957	26.1
87.00886	2.8
89.02451	12.9
95.01379	6.3
96.96004	2.6
97.02928	1.9
99.00873	4.9
101.02450	85.8
102.02753	2.8
109.02977	1.7
113.01693	2.2
113.02464	41.4
114.02812	1.3
119.03511	9.3
125.02441	4.3
131.03546	6.2
143.03500	7.7
149.04576	14.8
149.05946	2.2
150.06880	13.9
155.03494	1.4
159.03049	1.9
161.04575	31.6
163.07658	7.3
164.08472	3.1
165.05531	1.4
177.05576	1.3
179.10774	5.1
196.63536	1.3
203.05623	3.5
221.06624	5.7
223.13414	1.4
270.34500	1.2
289.16580	25.8
290.16931	1.8
327.21851	1.8
327.92221	1.2
331.17667	12.8
444.32260	2.0
445.32742	1.9
477.32132	2.3
488.31363	2.2
497.27646	2.1
506.32367	2.4
507.33115	3.7
508.33853	1.6
546.07111	1.4
651.36670	1.2
669.38678	26.1
670.39368	6.0
693.38025	2.4
711.39594	20.0
712.39783	5.0
725.68530	1.2
817.42950	1.9
873.44971	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	915.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03464	2.0
69.60211	12.3
71.01389	82.6
71.51231	1.8
72.99320	2.6
73.02947	29.1
83.01384	14.0
85.02958	41.7
86.00116	2.3
87.00900	4.1
89.02455	18.9
95.01401	9.8
98.19883	3.9
99.00884	10.5
101.02454	55.1
113.02457	33.0
117.03680	2.3
119.03574	4.8
125.02533	2.5
131.03508	2.0
143.03513	4.6
145.02901	2.9
156.28363	2.1
159.02966	7.8
161.04568	25.9
163.04001	2.5
175.49692	2.2
191.03503	2.7
353.19992	5.0
371.20758	100.0
372.21170	13.0
403.92819	2.0
413.21826	88.5
414.22311	9.6
796.52112	2.4
798.83087	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	915.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00320	0.4
65.44590	0.3
69.55546	1.5
71.01374	0.5
101.02445	0.7
101.26843	0.3
107.01386	0.9
109.02929	0.4
121.02930	0.5
122.83813	0.3
123.70585	0.3
148.01784	0.4
148.63107	0.3
151.00369	4.3
161.04582	0.3
163.00388	1.0
178.99844	2.4
190.02637	0.4
190.99915	0.3
191.03546	0.4
193.01431	0.4
198.03345	0.3
199.04097	0.3
212.47926	0.3
215.03546	0.4
216.04497	0.3
219.24738	0.3
221.01103	0.4
226.02699	3.5
227.03502	1.1
228.04123	0.4
243.02994	9.0
244.03438	0.6
253.99574	0.4
254.02199	3.7
255.02995	4.2
256.03506	0.3
271.02478	40.6
272.02975	4.0
299.01990	0.4
300.02756	49.9
301.03424	13.3
301.06238	0.2
302.03897	0.8
343.04538	0.4
347.16620	0.3
396.61749	0.3
463.08835	100.0
464.09158	10.8
464.15729	0.5
576.15997	0.3
758.74524	0.4
869.25586	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
67.59247	0.3
68.49837	0.3
70.92854	0.4
70.93180	0.5
71.01371	0.8
73.02946	0.7
75.00874	19.9
88.91301	0.3
93.03461	1.6
94.72830	0.3
101.02431	0.4
111.12138	0.3
113.02458	0.4
117.03471	14.7
118.03794	0.7
119.05035	14.0
120.05359	0.3
121.02941	0.9
121.06647	0.3
122.06139	0.9
123.04477	0.4
131.05048	0.5
133.02950	0.8
134.02435	0.4
135.04506	0.4
136.07765	0.4
138.09265	1.5
145.02959	100.0
146.03304	4.0
147.04529	0.4
148.04086	0.8
150.05580	1.1
161.02463	0.6
163.04027	7.4
164.03516	3.0
165.05588	1.4
173.10841	0.6
176.03548	1.2
177.05553	1.6
179.89536	0.3
194.04579	7.5
195.04881	0.5
197.10786	1.2
199.08813	1.5
203.03560	0.9
213.10350	1.2
213.13980	1.4
221.04549	35.3
222.04890	2.0
223.06107	1.5
237.10379	0.3
238.11110	0.7
239.11887	8.8
240.10103	0.4
240.12283	0.6
253.13466	2.3
285.04132	0.5
290.12988	0.7
291.14197	0.4
300.02762	0.5
301.03336	0.4
306.13638	0.3
308.17709	1.7
317.12936	0.7
318.12744	0.9
319.18008	0.9
320.17786	0.7
331.13159	1.0
332.14069	0.7
333.14969	1.6
334.19424	0.5
336.20929	0.8
343.14597	1.2
345.15598	0.5
347.16382	0.5
357.15976	0.5
359.17017	0.5
360.17142	3.0
362.18750	22.3
363.17606	2.6
376.20349	1.0
378.18433	0.4
380.19775	3.6
381.20129	0.3
392.19434	0.5
406.17703	9.1
406.23071	0.5
407.17529	1.2
424.18878	1.0
436.18750	12.4
437.18503	2.1
482.24527	0.9
508.22360	1.5
509.22290	0.4
526.23889	0.4
538.23053	0.4
552.21411	7.5
553.21710	0.9
556.24457	0.6
570.22339	4.3
571.23157	0.7
582.22467	1.3
600.23529	1.5
601.23029	0.4
614.25000	1.2
615.25842	0.4
619.23792	0.6
628.23022	1.1
646.23712	1.6
647.24725	0.6
649.25500	0.6
658.24231	0.9
661.43903	0.4
676.24768	1.8
823.29523	0.7
841.29193	3.9
842.30029	0.9
853.30231	0.4
871.30371	6.5
872.30200	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	915.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
65.87201	0.6
69.03463	3.2
69.67735	3.1
71.01389	71.3
72.01744	0.7
72.02161	0.7
72.99323	3.1
73.02953	100.0
74.03300	1.8
75.00887	3.0
81.03457	1.1
82.86975	0.4
83.01394	29.8
85.02966	11.6
85.03453	0.9
87.00890	1.8
89.02453	14.7
90.02800	0.8
95.01394	4.3
97.02953	1.8
98.20642	0.4
99.00910	1.2
101.02454	93.2
102.02814	1.8
113.02458	37.6
114.02818	1.1
117.01966	0.5
119.03514	12.1
125.02441	4.4
131.03517	11.0
143.03516	11.6
145.02965	1.4
147.03032	0.8
149.04565	19.7
150.04927	0.5
155.03508	3.5
161.04573	33.0
162.04910	1.0
203.05627	5.1
213.44756	0.5
221.04526	0.8
221.06660	9.2
222.07072	0.5
355.29486	0.5
413.21841	2.7
472.50073	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
69.52255	10.2
71.01385	3.9
72.99307	1.5
75.00879	42.6
77.07027	1.3
83.93325	1.4
93.03457	1.9
101.02483	1.5
103.56105	1.3
117.03487	15.4
119.05038	18.2
121.03021	2.6
122.06121	2.2
132.04582	1.4
133.02963	1.7
134.06242	1.4
135.04543	4.0
138.09262	1.8
140.20802	1.2
145.02963	100.0
146.03290	4.0
147.04590	2.1
148.04082	1.3
150.05656	2.7
161.02438	4.5
163.03999	11.7
164.03479	2.9
165.05563	4.1
177.05556	4.3
191.03531	9.1
191.97594	1.2
194.04550	10.0
221.04562	39.1
223.06250	6.6
227.03360	1.6
239.11922	5.1
253.13478	1.6
255.03047	1.5
284.03183	2.9
285.04117	5.0
300.02808	1.8
307.00223	1.5
324.05966	1.4
331.13278	3.3
343.14520	2.1
360.17236	6.8
362.18756	19.7
363.19312	1.6
380.19867	5.5
392.19714	2.3
406.17722	4.3
431.09967	1.6
436.18787	10.0
437.18054	1.4
482.25284	1.4
508.22284	1.8
552.21454	3.0
570.22473	2.7
600.23956	4.6
676.25507	3.1
841.28815	3.0
871.31293	7.3
872.31354	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.4599
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01402	1.3
76.96783	0.9
81.46855	1.0
109.06734	0.9
116.92886	9.4
118.37119	1.0
130.04227	4.5
130.65045	1.0
131.05038	5.3
133.02937	2.6
135.03767	1.0
135.04550	10.9
141.03563	1.2
143.05016	8.2
145.02887	2.0
145.06522	1.0
155.05035	1.5
158.03665	2.8
159.04523	100.0
160.04840	4.6
161.02394	1.7
167.14423	2.3
172.05321	1.5
173.06018	5.7
183.04518	1.8
201.03828	1.8
201.05577	24.1
201.07460	1.2
202.05869	2.0
203.03493	3.9
209.15413	2.7
221.18965	1.6
225.05449	2.0
226.06245	1.1
233.15425	1.6
245.04549	67.1
245.19128	2.4
246.04854	4.3
251.16505	3.1
255.23288	4.1
265.17981	1.3
277.21707	5.0
295.15744	1.2
365.21320	1.5
369.19186	6.4
383.14832	1.5
383.21555	1.9
393.20413	1.7
397.13504	1.6
407.22183	8.3
425.23090	2.8
438.89966	1.2
475.34207	2.8
515.22949	8.6
516.23486	1.3
529.24493	9.5
530.24475	2.3
543.26001	50.0
544.26532	10.0
667.40771	28.7
668.41736	5.9
668.51978	1.0
713.76807	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.4597
Annotation	Unknow
Peak:m/z	Relative Intensity
65.71015	0.8
71.60940	1.4
72.99352	1.0
75.00887	1.0
79.71601	0.8
91.79410	0.8
96.55439	0.8
109.02967	1.3
116.92831	2.2
130.04237	3.1
131.05067	6.3
133.02954	4.3
135.04539	13.0
141.03453	1.9
143.05054	9.5
145.02963	1.5
145.06595	1.3
146.03712	1.1
158.03766	4.1
159.04530	100.0
160.04840	4.8
161.02467	2.9
167.14424	1.8
172.05257	2.4
173.06105	6.2
183.04637	1.6
184.05042	0.8
197.06133	1.4
199.78635	0.7
200.04797	1.2
201.05597	26.4
202.05893	1.8
203.03496	4.1
204.04208	1.1
207.17574	1.0
209.15448	1.8
211.13350	0.8
212.04662	0.9
221.19138	2.0
223.16989	0.9
225.05547	2.5
227.16496	1.2
233.15375	1.0
239.07156	2.3
240.01292	0.8
241.18298	0.8
245.04564	74.7
245.19205	1.4
246.04915	3.5
251.16505	2.8
255.23264	1.7
265.18002	1.4
277.21725	3.5
351.19736	0.9
365.21158	1.6
369.19174	5.4
379.18832	1.7
383.21191	3.1
393.20639	3.3
397.22189	0.9
407.22293	5.5
408.22379	1.3
425.23175	2.7
475.34476	2.6
515.22925	9.8
529.24469	16.7
530.24988	3.9
543.26038	43.4
544.26550	7.4
566.94135	0.8
644.50360	0.8
667.40717	29.8
668.41095	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	909.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02407	1.4
65.00318	3.6
68.45263	0.7
69.37255	1.5
69.37660	5.5
71.01398	5.6
73.02933	2.1
75.08279	0.8
83.01393	3.6
85.02963	1.7
89.02470	2.0
93.03484	1.6
98.19781	1.5
100.94244	0.7
101.02438	3.2
107.01415	7.6
108.02206	2.0
109.02964	4.9
111.00909	1.1
113.02454	2.2
119.05035	1.7
121.02981	6.9
125.02463	1.8
133.02997	0.8
135.00871	1.5
135.04539	1.7
138.51968	0.7
140.97513	0.7
141.94403	0.7
145.02913	1.7
147.04466	1.0
148.01654	1.1
149.02348	1.4
151.00385	33.5
152.00804	0.9
159.04526	1.2
161.02472	1.7
161.04601	1.2
161.06053	0.7
163.00389	4.0
163.04031	1.8
164.01079	1.3
169.01442	1.5
178.99872	14.8
183.04456	1.3
185.06097	1.5
187.03951	0.9
190.99863	1.0
191.03540	1.8
199.04065	1.3
201.05574	1.3
211.04002	2.0
213.05513	0.8
213.09201	1.0
226.02647	1.7
227.03575	6.4
228.03807	1.6
229.05067	2.2
229.12202	1.0
239.07089	5.5
243.02988	9.1
245.04515	1.8
254.02242	1.8
255.02991	30.5
255.10275	2.8
256.03369	4.5
257.08234	2.1
271.02484	48.3
272.02969	5.1
273.04071	1.5
281.08240	3.2
283.02536	3.0
283.05994	1.8
284.03217	5.4
285.03790	4.4
286.04065	2.6
299.02060	2.1
299.09283	3.1
300.02768	100.0
301.03506	89.0
302.03857	5.7
325.07321	0.9
331.24869	0.8
367.08304	1.8
389.17969	1.0
431.09811	5.0
431.22885	5.1
431.27808	0.8
432.10159	2.9
432.23270	3.3
433.10464	1.7
433.23389	2.2
447.22177	1.4
463.08817	41.9
464.09119	4.0
475.33990	0.9
487.12637	5.7
488.12750	1.5
624.71399	0.8
727.17181	1.1
729.14960	4.2
747.14331	0.9
763.19476	1.9
789.16736	63.8
790.17242	14.5
807.17621	6.1
865.18103	5.8
866.19348	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
63.56737	0.2
65.00314	0.5
70.63443	0.6
70.63812	0.5
71.01369	0.9
73.02936	1.1
83.01366	0.7
89.02434	0.3
91.69176	0.3
101.02449	1.1
107.01391	1.6
108.02177	0.7
109.02949	1.0
113.02451	0.5
121.02971	0.8
130.86723	0.3
133.02940	0.4
135.00903	0.3
135.04581	0.3
145.02945	0.4
148.01648	0.8
149.04454	0.3
151.00385	5.5
152.00752	0.5
157.03232	0.2
161.02440	0.6
161.04556	0.5
163.00340	1.4
171.04532	0.3
178.99867	3.2
185.02473	0.3
187.04048	0.4
192.00719	0.4
193.01424	0.3
199.03972	0.3
203.03641	0.3
211.03978	0.3
220.98149	0.2
226.02795	1.0
227.03424	1.5
228.03987	0.3
229.05020	0.4
243.02998	5.3
244.03630	0.4
245.04593	0.7
254.02225	1.6
255.02986	15.6
256.03445	1.1
271.02472	31.5
272.02936	2.6
283.02499	0.6
284.03336	0.4
285.03918	1.2
289.97629	0.3
299.01886	0.8
300.02750	71.7
301.03448	27.9
302.03897	2.1
384.57370	0.3
447.09320	100.0
448.09637	11.2
463.08951	0.5
625.11914	0.7
808.27173	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.4549
Annotation	Unknow
Peak:m/z	Relative Intensity
69.40522	18.2
71.01386	89.0
72.01746	2.1
72.99319	3.8
73.02954	43.4
74.47944	2.4
83.01398	16.0
85.02962	43.0
87.00889	2.8
89.02456	23.2
95.01371	6.2
97.02940	3.1
98.19875	4.1
99.00887	14.1
101.02450	83.3
113.02461	40.6
119.03564	4.7
121.34392	2.2
125.02464	4.9
131.03552	5.0
143.03458	6.1
145.02895	3.0
149.04602	4.7
159.02979	6.3
161.04559	33.1
211.17081	3.5
229.06169	3.2
283.20880	2.3
288.20325	2.8
300.02771	3.2
301.03677	2.6
315.18124	4.5
349.11841	2.7
355.21344	3.8
373.22305	100.0
374.22699	10.2
382.45093	2.5
394.06180	2.4
415.23401	95.2
416.23642	7.0
447.09177	4.6
447.22366	65.8
448.22601	8.2
459.22455	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	907.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
66.07554	1.4
66.97349	1.4
69.70226	9.3
71.01386	7.6
73.02950	2.4
85.02974	3.9
89.02448	2.2
89.31843	1.2
92.12778	1.2
95.42561	1.3
101.02469	5.4
110.00542	1.3
113.02458	1.9
119.71204	1.6
123.20406	1.2
136.85899	1.5
143.37454	1.5
161.04601	2.0
200.19756	1.6
213.05595	1.5
219.12738	1.3
227.03511	25.9
228.03893	4.0
229.05058	6.1
255.03008	41.2
256.03433	7.8
257.04544	4.4
284.03290	46.0
285.04041	77.9
286.04401	7.0
371.20584	1.9
389.21863	7.7
390.22238	1.6
430.21869	2.7
431.09851	100.0
431.22760	54.4
432.10217	19.3
432.23129	5.0
433.10223	3.9
457.82190	1.7
596.72485	1.6
815.79828	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	907.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02397	1.5
65.00335	3.7
66.95143	1.1
66.98112	0.9
70.29694	3.9
73.87514	1.0
75.00883	7.9
83.01394	2.0
89.70041	1.1
91.94923	1.0
102.72906	1.0
107.01398	7.6
108.02207	2.0
109.02991	3.9
121.02971	4.5
125.02384	1.0
132.02225	1.0
133.02951	19.1
133.03868	1.5
135.00862	1.0
135.04558	8.7
137.02368	1.0
148.01646	1.0
151.00381	26.9
159.04527	1.5
161.02452	59.5
162.02760	3.2
162.56035	1.1
163.00386	3.0
164.01093	2.1
178.99867	12.7
179.03546	3.0
187.04015	1.4
216.04247	1.1
226.02657	1.7
227.03456	3.3
237.03949	5.4
243.02966	8.7
245.04475	2.1
254.02185	2.4
255.02991	27.2
256.03394	4.0
256.06198	1.2
259.25049	1.1
271.02490	48.7
272.02921	5.4
273.04037	2.4
282.41586	1.1
283.02341	4.0
299.02029	1.7
300.02765	100.0
301.03513	77.3
302.03793	6.3
317.02979	3.5
323.07663	2.9
335.57785	1.0
428.27094	1.0
463.08823	41.5
464.09012	4.9
485.10724	1.9
505.57324	1.1
625.12012	83.1
626.12347	15.9
761.17102	1.9
787.15576	1.5
805.15967	5.3
863.16345	15.2
864.17212	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	907.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02411	2.0
65.00333	2.9
69.93878	1.8
69.94291	3.6
75.00883	6.6
83.01407	1.8
101.02476	1.4
107.01405	7.3
108.02159	1.9
109.02950	3.1
117.21472	1.1
121.02949	4.7
133.02974	14.1
135.00908	1.8
135.04552	7.0
148.01659	1.3
151.00374	22.0
161.02452	51.7
162.02773	2.3
163.00371	3.5
172.78224	1.1
178.99887	10.3
179.03461	2.6
187.03990	1.4
223.37773	1.2
227.03508	1.7
237.04008	3.9
243.03012	4.9
243.06531	1.9
245.04590	1.9
254.02132	1.9
255.02983	22.7
256.03278	1.8
271.02499	39.5
272.02957	3.8
273.03928	1.9
297.07288	1.2
299.02145	2.1
300.02765	100.0
301.03519	75.9
302.03864	5.2
323.07263	1.2
394.78912	1.2
433.07819	2.1
463.08722	33.3
464.09030	2.4
543.06995	1.8
625.12000	78.0
626.12231	13.3
787.15344	2.8
805.16461	5.5
806.16083	2.2
863.16614	16.5
864.17047	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	907.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
65.06152	0.7
71.01389	6.3
71.62046	1.1
71.62699	1.0
73.02967	1.4
74.49588	1.0
83.01379	1.1
85.02959	2.8
87.00874	1.0
89.02430	1.7
93.03484	1.0
95.01431	1.1
99.00912	1.2
101.02456	4.5
107.40789	0.8
112.41257	0.8
113.02442	2.8
116.19146	0.8
119.03517	1.0
128.58199	0.8
143.03473	0.9
151.00378	1.7
161.04552	2.0
179.31888	0.9
185.05992	1.1
187.03979	1.3
197.06026	1.1
211.04031	1.6
213.05621	0.8
227.03500	29.1
228.03873	2.9
229.05147	5.4
240.04039	1.1
241.05048	1.7
255.02979	40.4
256.03491	6.1
257.04425	3.1
271.07727	0.9
284.03271	46.7
285.04031	71.6
286.04346	7.6
301.03342	1.0
371.20590	1.6
389.21762	5.9
431.09854	100.0
431.22760	55.3
432.04584	1.4
432.10251	15.7
432.23117	5.6
433.10550	2.5
479.31256	1.0
693.41217	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02382	1.6
65.00320	5.1
68.02085	1.2
70.49512	2.9
70.49871	2.2
71.01383	4.5
73.02941	3.3
83.01405	2.8
89.02437	1.6
93.03468	2.1
93.45952	1.1
101.02474	1.6
107.01410	7.5
109.02962	4.5
114.32899	1.1
117.03505	1.7
119.05034	4.1
121.03000	4.7
125.02469	1.5
133.02959	1.6
134.03749	2.8
135.04504	2.4
145.02969	8.5
151.00385	28.0
152.00778	1.5
160.01718	7.6
160.37746	1.2
161.02426	4.9
163.00369	4.5
163.03998	2.3
169.01469	1.6
175.04004	7.0
178.99875	12.1
183.04576	1.5
186.16652	1.1
190.99907	1.6
199.04062	1.5
211.04019	3.0
215.03575	1.2
227.03558	6.1
229.04961	1.2
243.03024	10.2
245.04433	1.8
254.02182	1.5
255.02977	29.2
256.03351	3.7
271.02478	58.8
272.02905	6.5
273.03906	2.0
283.02432	2.9
284.03043	1.6
285.03915	5.3
299.01877	7.0
300.02762	100.0
301.03510	79.5
302.03925	6.3
324.04730	1.4
447.09354	19.8
448.09601	2.2
463.08884	19.0
464.08990	2.5
548.77124	1.7
553.06049	2.0
609.12402	29.5
610.12885	5.0
623.10437	7.1
624.10950	1.8
639.13770	6.1
758.83832	1.5
785.16888	8.4
786.15924	1.7
803.18286	20.5
804.19086	4.1
861.18884	12.8
862.19037	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	905.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
69.56103	5.3
69.56504	1.8
71.01385	22.3
72.78564	1.0
73.02950	8.9
75.00862	1.8
79.54133	1.0
83.01384	3.4
85.02947	8.6
87.00869	2.9
89.02484	5.2
95.01363	2.3
98.19808	1.2
99.00905	3.2
101.02444	16.1
107.01303	1.1
113.02453	10.5
119.03551	1.3
119.05074	1.1
135.00815	1.3
143.03503	2.1
151.00467	2.0
159.02962	2.4
161.04593	12.1
163.00291	1.5
163.11281	5.3
171.49655	1.3
181.12440	1.2
185.06126	1.3
189.90422	1.2
203.05522	2.5
207.13918	1.5
211.04033	2.0
211.18881	1.2
225.14955	2.0
227.03502	31.8
228.03857	2.4
229.05016	5.9
239.03566	1.4
255.02991	45.5
256.03592	7.2
257.04520	3.5
284.03262	50.6
285.04022	54.4
286.04364	4.9
290.64261	1.0
300.02527	1.7
325.16553	6.4
343.17819	1.4
347.35846	1.1
367.17706	1.3
369.19226	10.4
385.18765	1.7
387.20224	20.4
388.20761	1.8
429.21265	79.0
430.21594	11.7
431.09811	100.0
432.10132	10.8
454.49792	1.1
525.26135	1.3
535.32245	1.5
560.60742	1.2
639.11389	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.3872
Annotation	Unknow
Peak:m/z	Relative Intensity
68.04807	0.7
69.03462	3.2
69.44326	5.7
71.01388	74.5
72.01742	1.2
72.99302	3.8
73.02953	92.3
74.03296	1.3
75.00881	1.9
81.03458	0.9
81.52005	0.7
83.01394	28.1
85.02965	10.2
87.00880	2.6
89.02454	21.2
95.01384	3.8
96.95977	0.8
97.02964	2.6
99.00874	1.8
99.04530	1.1
101.02451	100.0
102.02802	2.0
103.03991	3.6
113.02459	35.6
114.02778	1.5
119.03520	14.6
119.05023	12.8
125.02461	8.3
131.03494	9.9
143.03517	12.6
149.04561	23.5
155.03517	3.1
161.04565	42.6
163.06165	4.0
166.02480	0.8
179.03366	0.7
179.05611	2.7
203.05661	5.6
221.06682	17.3
222.07066	1.0
247.08250	1.0
307.10266	5.4
371.20609	3.5
389.21753	1.8
431.22836	21.9
432.23297	2.5
456.42642	0.8
694.38812	0.8
868.78070	0.9
939.91608	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4655
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03461	4.2
69.34359	4.0
69.34782	1.9
71.01384	13.0
71.05009	1.4
72.99314	1.4
73.02936	2.1
81.03465	1.1
83.01375	2.0
85.02946	2.9
87.00883	3.0
89.02448	8.4
95.01386	1.1
97.02944	1.8
97.06604	1.0
97.54371	0.6
97.87519	0.5
99.00867	1.1
101.02455	8.2
109.02921	0.7
113.02479	4.5
116.92889	1.7
119.03492	1.7
120.85207	0.6
123.08141	1.2
124.00822	0.6
125.02482	3.1
125.09703	2.1
135.04529	1.2
143.03499	0.8
145.02837	0.7
151.11296	1.5
153.12849	1.7
159.04526	9.0
161.04565	1.3
161.09711	2.1
161.58258	0.8
167.87767	0.6
179.10738	4.0
180.11319	0.6
193.16151	0.7
197.11835	60.3
198.12166	3.1
201.05545	1.6
221.06673	2.5
223.09796	0.9
235.08127	1.4
241.10851	2.6
245.04614	5.6
277.21719	21.4
278.21988	1.9
295.16544	0.9
383.14798	1.6
397.13544	1.5
407.22330	0.8
507.90094	0.6
529.24146	1.0
543.25940	4.6
624.82306	0.7
639.24713	0.9
653.39044	1.8
899.46503	100.0
900.46790	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4652
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03470	5.3
69.99280	2.5
69.99676	1.8
71.01393	13.1
71.05014	1.4
72.99306	2.1
73.02966	2.8
75.00892	1.3
81.05375	0.9
85.02930	2.6
87.00867	3.7
89.02449	8.9
97.02961	3.0
97.06602	1.0
98.20666	0.9
99.00912	1.6
101.02441	10.0
113.02452	4.0
115.00380	1.8
116.92863	3.9
119.03539	1.8
123.08182	1.6
125.02412	2.2
125.09721	2.2
145.02837	1.1
151.11244	2.7
161.04527	0.9
161.09708	3.5
169.26198	0.9
175.02452	3.9
179.10765	5.7
191.53627	0.9
195.37506	1.0
197.11838	33.9
198.12187	2.1
209.12013	1.0
211.07620	2.7
216.52979	0.9
221.06667	2.2
223.09868	1.3
277.18811	1.8
277.21725	33.2
278.22101	3.1
341.86899	1.1
397.13382	1.4
588.77911	1.2
899.46515	100.0
900.28772	1.4
900.46832	26.7
900.63000	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4424
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	0.8
71.61656	1.1
71.82182	0.6
75.00867	0.6
89.02499	1.0
89.03979	0.6
109.02925	0.9
110.87502	0.5
130.04240	3.5
131.05045	5.8
133.03001	3.7
135.04541	11.0
141.03432	1.6
143.05038	10.0
145.06532	1.2
146.03656	0.6
157.06577	0.8
158.03745	4.1
159.04524	100.0
160.04831	4.9
161.02451	2.9
167.14368	2.9
171.04489	0.6
172.05310	2.5
173.06081	5.7
174.06401	0.7
175.03947	0.7
181.16002	1.0
182.42696	0.7
183.04541	2.6
184.05049	0.7
193.15926	0.9
197.06088	0.9
199.04066	0.8
200.04787	1.2
201.05579	26.9
202.05904	1.6
203.03510	3.8
207.17574	2.3
209.15459	4.4
211.13422	0.8
223.09869	1.1
223.17059	1.6
225.05635	2.9
227.16551	0.8
231.17589	1.4
233.15326	1.6
239.07185	1.4
245.04550	70.0
246.04831	4.2
251.16499	2.6
251.20168	0.7
265.18069	1.9
277.21777	0.9
293.17569	0.8
295.15463	0.9
337.18091	1.2
339.18146	2.0
351.19873	1.9
354.62823	0.6
355.19351	0.9
369.19135	6.0
379.19189	3.5
383.20825	2.8
393.20715	7.6
394.21140	1.0
397.20123	1.0
411.21848	2.6
443.25046	0.7
443.31607	1.3
461.32709	2.3
515.22894	20.9
516.23694	3.6
529.24432	43.1
530.24933	6.4
653.39056	30.3
654.39557	5.5
750.22742	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4431
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01391	1.5
75.00852	1.1
80.26662	1.1
91.01942	1.0
95.37241	1.1
115.05453	1.2
130.04251	3.4
131.05066	6.4
133.02985	3.9
133.82857	1.0
135.04549	9.8
141.03383	1.1
143.05042	12.2
145.02930	1.7
150.40417	1.2
158.03764	4.9
159.04524	100.0
160.04849	4.4
161.02480	2.0
167.14426	2.5
172.05229	2.9
173.06088	6.8
181.16087	1.7
183.04532	2.2
200.04770	1.8
201.05583	26.8
202.05949	2.6
203.03571	3.0
207.17497	2.6
209.15459	2.9
218.12149	1.3
223.13377	1.3
223.17049	1.6
225.05559	1.9
227.16417	1.0
231.17358	1.6
233.15439	1.5
239.07205	2.5
245.04555	78.5
246.04950	5.9
247.16884	1.3
251.16510	4.5
265.17963	2.0
277.21747	1.2
295.22852	2.8
337.18347	1.4
351.19531	1.6
369.19147	6.1
379.19159	2.9
383.20834	3.7
393.20691	8.7
397.13641	2.3
411.21640	3.0
418.84204	1.1
437.19901	1.3
443.31870	1.4
461.32727	3.0
515.22961	22.9
516.22986	4.0
529.24469	55.9
530.24908	8.5
653.39124	28.6
654.39276	5.9
899.45386	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
64.92053	0.5
65.00330	0.7
74.02470	0.5
90.34122	0.5
93.03423	0.4
98.19878	1.8
106.17327	0.4
107.01411	1.4
108.02219	0.8
109.02962	1.1
121.02975	0.9
126.97108	0.4
133.02934	0.6
135.00929	0.6
142.78893	0.4
148.01671	0.6
151.00368	6.9
161.02434	0.7
163.00394	1.6
164.95013	0.5
169.01395	0.6
170.69312	0.4
178.99863	4.1
227.03583	1.2
229.05093	1.0
243.02994	4.2
245.04524	0.6
245.09306	0.5
254.02255	1.3
255.03008	14.8
256.03497	1.0
271.02493	34.0
272.02933	2.7
273.04147	0.5
283.02277	0.9
299.02008	0.8
300.02765	69.1
301.03461	25.9
302.03882	2.1
609.14636	100.0
610.15051	17.2
752.94019	0.6
779.58813	0.5
835.17542	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4433
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01364	0.9
75.00877	0.6
98.19732	1.3
109.02997	1.1
115.05561	0.7
116.92847	1.4
119.30832	0.6
130.04250	3.1
131.05048	6.4
133.02971	2.7
134.03738	0.7
135.04532	10.8
136.04945	0.7
141.03514	1.6
143.05026	8.9
145.02989	1.0
145.06573	1.9
146.03741	0.8
155.05019	0.9
157.06589	0.7
158.03745	4.7
159.04524	100.0
160.04852	4.3
161.02460	1.6
167.14447	1.4
172.05322	2.3
173.06088	5.9
175.04091	0.8
181.29208	0.6
183.04491	2.3
193.16112	0.8
199.03999	0.8
200.04747	1.0
201.05579	23.6
202.05971	1.5
203.03459	3.6
207.17555	2.1
209.15465	2.1
211.13271	0.8
217.77977	0.6
223.09785	1.1
223.17047	2.2
225.05554	2.1
227.16537	1.2
231.17606	1.5
233.15501	1.2
239.07191	1.1
245.04546	74.4
246.04918	3.5
251.16551	2.4
252.16582	0.7
265.18179	1.7
277.21814	1.0
295.15646	1.3
312.84637	0.6
337.18143	1.1
351.19739	1.3
369.19229	5.9
379.18991	3.7
383.20700	3.2
393.20654	7.1
394.21011	1.3
397.13165	0.7
397.20297	1.2
411.21753	2.1
443.31796	1.0
461.32700	2.2
515.22858	21.9
516.23138	3.9
529.24445	43.8
530.24829	6.5
549.41455	0.6
653.28076	1.3
653.39087	25.4
654.39581	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	896.4856
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98531	11.9
63.36425	9.9
63.70810	10.7
68.90971	10.3
69.68990	10.1
71.60860	14.3
82.48206	9.5
83.24300	10.0
97.99648	9.5
99.92593	17.8
101.66565	9.2
111.80092	10.5
116.92879	100.0
117.92899	16.5
127.16928	11.4
172.11879	9.7
197.11876	18.0
256.23581	15.4
277.21564	12.9
562.61554	13.1
639.92670	12.5
918.46057	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	897.4615
Annotation	Unknow
Peak:m/z	Relative Intensity
67.07506	12.5
71.01389	26.0
71.60964	15.3
88.98814	14.7
89.02449	16.5
101.02483	24.0
109.06596	12.5
125.02458	14.9
163.11295	18.7
205.08467	13.3
207.10289	95.7
225.11267	38.4
255.23326	76.4
277.21643	19.0
323.74554	11.7
336.00864	12.3
379.12589	23.6
397.13559	100.0
415.14505	21.4
617.64221	12.8
653.37689	15.1
660.21655	15.1
787.76886	13.1
861.48328	99.3
862.48969	21.8
897.46387	38.2
898.45398	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	893.5117
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	14.2
72.99311	3.3
73.02936	1.9
80.96558	1.4
83.01369	1.4
85.02966	4.5
87.00891	3.8
89.02444	12.4
95.01377	1.4
97.02927	3.0
101.02466	12.1
113.02446	8.7
116.92823	2.0
119.03482	3.0
125.02444	5.3
143.03473	2.5
161.04605	2.3
169.12347	6.9
179.05635	4.0
195.14113	1.5
197.11830	100.0
198.12125	5.2
213.14977	1.4
221.06839	1.9
223.13370	5.3
232.97874	1.3
235.08243	4.8
255.23300	47.4
256.23605	3.2
259.08148	1.6
287.07956	2.1
379.12424	11.7
380.12875	1.6
397.13525	31.6
398.13702	1.9
415.14542	5.7
577.24792	8.3
578.25012	1.5
595.26306	7.9
635.36743	2.3
653.37720	3.5
687.39392	2.7
910.92181	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02403	0.3
63.57516	0.2
65.02848	0.3
68.19440	0.2
70.01597	0.5
70.01990	0.7
72.16246	0.3
83.01402	0.3
95.18279	0.2
98.20587	0.4
107.01424	0.7
125.02453	0.4
151.00368	1.6
154.15175	0.3
165.02100	0.3
174.03273	0.4
185.06200	0.3
211.03902	0.4
227.03514	32.6
228.03882	2.1
229.05084	1.1
255.03004	42.2
256.03610	6.2
257.04462	0.9
268.03720	0.3
284.03287	53.2
285.03973	15.8
286.04382	0.8
312.61615	0.3
327.05109	0.9
447.09354	100.0
448.09674	12.9
532.56873	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
66.91599	1.5
69.03449	1.8
69.40704	7.3
69.41127	5.7
71.01381	62.3
72.91069	1.3
72.99313	3.3
73.02952	58.1
83.01390	20.0
85.02966	14.5
87.00894	2.7
89.02446	20.4
95.01369	2.9
97.02945	2.8
99.00896	2.9
101.01776	3.7
101.02444	70.4
107.98595	1.7
113.02454	32.3
114.02817	1.6
119.03506	10.9
125.02468	2.1
131.03470	5.4
143.03537	8.7
149.04565	17.2
151.00377	2.8
155.03522	3.2
161.04568	33.0
162.04848	2.9
179.05579	4.0
187.65182	2.0
203.05565	4.2
221.06689	8.6
233.08957	1.5
255.02856	2.8
271.02246	2.5
285.03992	5.7
300.02774	2.9
301.03378	4.8
301.42688	1.5
331.17746	3.6
371.20834	2.1
373.18619	8.8
389.21823	20.8
390.22122	2.2
431.22824	100.0
432.23181	11.3
432.84842	1.6
433.20984	4.1
463.08774	2.6
475.22296	1.9
667.07562	1.5
780.97931	1.6
810.91449	1.5
811.11090	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	893.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
62.66080	0.3
67.15756	0.3
69.45260	1.3
69.45682	1.0
71.01384	5.6
73.02967	1.6
83.01376	1.0
85.02950	2.9
87.00909	0.3
89.02364	0.3
93.03466	0.5
95.01392	0.5
99.00881	0.7
101.02451	4.8
107.01380	0.5
109.02910	0.6
113.02479	2.1
119.05048	0.5
125.02433	0.4
135.00867	0.7
143.05101	0.3
151.00383	0.9
153.01907	0.3
159.02982	0.5
159.04575	0.3
161.04610	1.8
163.00371	0.9
165.01839	0.3
171.04559	0.4
178.71339	0.3
178.99849	0.5
183.04503	0.3
185.06070	1.0
187.03969	1.2
189.05595	0.3
199.03810	0.4
211.03920	1.1
213.05582	0.7
214.02638	0.4
227.03514	26.5
228.03767	2.1
229.05060	5.2
230.05478	0.3
239.03444	0.7
240.04266	0.4
241.05035	0.7
255.02995	41.2
256.03555	5.7
257.04681	2.8
267.03152	0.3
271.02298	0.5
284.03275	49.5
285.04034	54.5
286.04425	4.9
327.05035	0.5
375.23904	6.7
376.24094	0.9
417.24954	7.0
418.25232	0.8
431.09833	100.0
432.10193	10.1
837.79816	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02394	1.5
71.01384	2.8
71.61073	0.6
71.61491	1.0
73.02940	1.4
75.00871	2.9
83.01392	2.1
85.02962	0.7
93.03458	2.9
95.01408	1.1
99.04569	0.7
101.02432	2.1
107.01396	4.5
109.02958	6.5
110.29677	0.8
111.00912	4.3
113.02441	1.0
117.03465	0.8
118.30400	0.6
119.05042	1.2
121.02952	0.7
131.05008	0.8
133.02940	1.0
135.00867	1.0
135.04568	4.3
137.02477	1.0
143.05029	1.8
145.02983	2.5
147.04495	0.7
149.06081	0.7
151.00386	7.2
159.04501	1.9
161.02444	4.1
163.00348	3.5
167.04951	0.7
169.01495	1.5
169.06604	2.0
171.04489	2.0
175.04031	1.2
182.03712	0.7
185.06129	5.2
187.04004	3.9
189.05547	1.5
191.03471	2.1
195.04514	1.1
197.06061	1.1
198.06769	0.8
199.04131	0.9
201.05511	2.2
201.09210	1.0
211.04030	3.3
211.07675	3.4
212.04565	0.9
212.08229	0.7
213.05571	3.3
213.09204	3.9
223.03955	0.9
224.04785	2.1
225.05525	2.0
227.03500	14.7
227.10728	1.5
229.04974	9.6
229.12383	1.3
230.05383	0.9
235.07693	1.3
237.05542	2.8
237.09085	3.2
238.06203	1.4
239.03397	1.7
239.07111	16.4
240.04195	0.7
240.07607	1.5
241.05057	2.0
243.03072	1.3
253.08757	2.1
255.02991	22.5
255.10262	5.8
256.03574	3.7
257.04520	6.8
257.08185	2.5
263.07050	1.2
265.05011	2.7
267.03073	1.0
271.02505	1.5
279.06815	1.4
280.07361	1.4
281.08209	9.8
283.02841	1.2
283.06131	3.3
284.03271	24.7
285.04053	100.0
286.04434	6.8
297.07544	1.1
299.09262	12.6
300.02759	4.8
300.09595	1.0
301.03510	4.4
302.03430	1.1
306.08685	0.7
307.06223	1.2
323.09354	2.2
325.07220	7.4
341.10391	1.6
343.08264	1.5
365.11041	1.6
367.08224	8.2
368.08438	1.2
385.09363	3.7
409.09296	2.5
427.10522	2.3
447.09283	4.1
455.12860	0.8
463.08640	3.1
487.12469	22.5
488.12772	2.6
537.23846	0.9
570.67383	0.7
602.92682	0.7
713.14990	4.0
714.16418	0.7
747.19379	2.7
773.17249	48.2
774.17480	10.6
781.60010	0.7
791.18292	5.1
849.18604	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	893.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02395	2.0
65.00324	1.4
71.01382	2.6
73.02919	1.1
73.49020	0.7
73.83720	0.7
75.00870	4.5
83.01378	3.2
85.02947	0.8
91.01858	1.0
93.03468	3.0
98.19852	2.2
101.02463	1.5
101.40472	0.7
107.01395	6.6
108.02128	1.1
109.02962	13.2
110.03290	1.4
111.00910	4.0
119.04963	1.5
121.02975	2.8
121.52819	0.9
125.02486	1.2
130.49576	0.8
130.96735	0.9
135.04527	2.4
143.04994	1.6
144.98817	0.8
145.02953	2.3
151.00380	16.5
157.06456	1.0
159.04539	2.4
161.02438	3.4
163.00363	3.9
163.04036	0.9
165.01909	1.0
169.01553	0.9
169.06631	1.4
171.04497	1.8
173.02452	1.0
174.03143	1.3
175.04025	1.9
178.99838	3.7
179.03516	1.4
185.06087	6.2
187.03978	3.2
189.05592	1.7
195.04381	1.2
197.06059	1.8
199.04065	1.7
201.05519	2.0
211.03992	2.9
211.07669	4.0
212.04967	0.9
212.42023	0.8
213.05576	3.3
213.09160	2.5
215.03607	1.4
224.04720	1.3
227.03519	12.3
228.03868	1.1
229.05048	12.3
230.05231	1.3
237.05510	2.8
237.09184	2.9
238.06189	1.1
239.03407	2.0
239.07181	13.6
239.09692	1.2
239.10664	1.2
240.04033	1.1
240.07841	1.2
241.05025	1.5
243.02974	3.3
245.04572	1.2
253.08757	2.1
255.02971	25.8
255.10252	5.0
256.03516	3.8
257.04590	6.8
257.08203	2.9
265.04935	2.2
271.02502	12.1
272.02908	1.6
273.11298	1.3
281.08191	9.6
283.02637	1.4
283.06137	4.1
284.03299	21.5
285.04056	100.0
286.04419	7.1
296.05966	0.8
299.09256	9.3
300.02759	31.1
301.03540	23.9
302.03732	2.7
307.06253	0.9
323.09033	2.1
325.07211	6.0
341.10184	1.5
343.08252	1.7
367.08252	9.2
385.09164	1.9
409.09161	2.5
427.10257	3.0
447.09119	4.1
463.08823	24.1
464.09192	3.7
487.12561	19.1
488.12668	1.5
606.43176	0.9
630.29285	0.9
713.15100	3.5
731.15948	2.0
747.19250	2.1
773.17291	47.0
774.17468	12.7
791.18390	6.8
792.18835	1.5
849.18475	3.6
875.42065	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00341	0.7
69.66949	2.0
71.01376	0.5
72.99298	1.5
73.53519	0.4
75.00883	3.1
75.17912	0.4
80.87205	0.4
82.58908	0.4
83.01371	0.8
88.49744	0.4
107.01387	1.5
108.02171	2.2
109.02958	100.0
110.03278	2.7
110.32243	0.4
113.85649	0.4
118.99869	5.5
119.05030	0.5
121.02959	0.5
133.02977	3.3
135.04526	2.2
140.22958	0.4
145.02927	1.0
147.04578	2.3
148.05086	0.5
149.06107	3.3
151.00377	5.0
161.01099	0.9
161.02448	16.4
162.02739	1.1
163.00410	1.0
163.04063	0.4
175.04164	0.9
177.05612	0.5
177.34966	0.4
178.99899	3.0
179.03517	1.1
191.03421	2.4
191.31227	0.4
192.04150	0.5
193.05067	7.7
227.03436	1.0
237.01840	0.6
237.04002	4.1
243.03026	3.0
254.02110	0.6
255.02965	7.3
256.03189	0.9
271.02487	16.7
272.02869	2.0
279.02985	1.3
280.03537	0.6
281.03030	4.5
283.02411	0.9
299.02032	1.4
300.02753	31.8
301.03488	15.3
302.03937	1.2
316.02173	0.7
463.08987	0.9
573.99780	0.4
609.14581	51.9
610.14984	8.5
625.12000	1.8
716.76459	0.4
741.18732	0.4
779.22693	0.5
847.16913	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
66.14008	0.9
71.01391	0.9
71.61248	1.2
72.99322	1.3
75.00871	1.6
77.62047	0.8
93.03490	0.9
107.05050	1.1
108.02174	3.1
109.02957	100.0
110.03281	3.9
111.00871	0.8
118.99856	2.2
121.03024	2.0
125.02445	26.3
133.02983	2.6
135.04514	2.5
137.02458	7.5
139.04048	2.4
145.02963	0.9
147.04546	0.9
149.02464	1.5
149.06070	3.3
151.04021	1.9
161.02428	10.6
164.01169	1.1
165.01952	2.6
167.03525	3.0
175.04021	2.9
176.04617	0.9
177.01923	19.1
177.05598	3.1
179.03511	2.7
191.03502	2.9
192.04283	0.9
193.05055	5.3
219.06569	1.4
237.03986	2.6
243.02945	2.3
255.02972	5.1
256.03665	1.3
257.04684	1.2
261.03946	1.4
269.04758	1.0
270.99658	0.9
271.02509	1.7
273.04111	1.9
281.03070	2.2
283.02475	2.7
285.03934	1.0
297.03922	1.6
300.02835	2.7
301.03348	1.1
303.05136	2.9
305.06631	14.6
306.06931	1.3
316.12793	0.9
346.47571	0.8
355.08383	1.1
423.07199	25.6
424.07483	3.4
441.08249	22.7
442.08484	2.7
483.09317	2.6
591.11517	1.2
609.12671	17.1
610.13489	2.5
740.15582	0.8
804.99292	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02390	3.2
65.00340	4.0
69.77335	3.0
69.77750	5.3
71.01382	3.6
73.02951	1.5
75.00872	13.3
78.31382	1.2
83.01380	2.1
90.41046	1.2
93.03461	3.3
95.01396	1.2
101.02425	1.8
106.06604	2.6
107.01410	8.1
108.02131	1.4
109.02962	6.7
113.02466	2.2
115.00338	1.2
118.00471	1.3
121.02964	6.3
131.05063	1.5
132.02196	1.9
133.02969	26.9
135.04541	19.1
141.88062	1.2
145.02937	2.3
149.02458	1.6
150.05623	2.4
151.00372	31.0
159.04478	3.9
161.02452	100.0
162.02795	4.7
163.00345	4.8
165.01910	1.6
171.04440	1.9
175.03935	2.3
177.01900	4.3
177.05641	2.3
178.99861	12.5
179.03500	13.2
180.03735	1.6
187.04024	3.6
199.04065	1.5
201.05528	1.9
211.03955	3.3
213.05493	2.9
215.03351	1.3
221.04535	2.6
226.02591	1.7
227.03528	14.6
227.07133	5.1
229.04906	7.7
229.80089	1.3
237.04033	9.6
243.02975	4.6
245.04666	2.0
255.00490	2.7
255.02995	37.7
255.10355	1.6
256.03467	5.2
257.04568	6.7
266.42313	1.5
271.02487	33.6
272.02969	3.3
273.04004	2.8
281.08270	1.9
283.02405	2.3
284.03268	24.1
285.04047	67.5
286.04321	6.0
297.07553	1.5
300.02759	55.1
301.03519	63.4
302.03787	4.8
316.02023	1.4
322.09863	1.5
323.07932	9.0
402.93787	1.3
417.08450	2.0
447.09286	4.7
463.08798	23.2
464.09045	3.6
466.63260	1.5
485.10962	1.8
543.07623	2.7
561.09460	2.0
609.12500	93.9
610.12927	14.9
619.09686	2.0
625.12177	6.1
745.17072	2.3
771.15692	7.4
789.16675	14.2
790.16608	1.6
847.16998	18.1
848.17578	5.9
911.20746	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02370	1.8
65.00340	4.0
70.14762	7.2
75.00883	16.0
92.10700	1.6
93.03476	2.2
102.06364	1.5
107.01391	6.9
109.02950	3.6
121.02966	6.1
126.69058	1.9
133.02956	24.0
135.04572	7.8
145.02933	3.4
151.00374	34.2
161.02457	100.0
162.02765	3.7
163.00308	3.4
169.01381	2.0
174.50237	1.6
178.99881	14.7
179.03465	5.0
211.03893	1.6
227.03485	3.6
237.04008	15.1
242.83842	1.6
243.03009	7.6
249.60934	1.7
255.02989	25.1
256.03174	2.6
265.05017	1.7
271.02493	43.4
272.02963	5.8
275.57816	2.0
283.02374	1.9
299.01859	2.1
299.99310	3.5
300.02762	90.3
301.03516	92.6
302.03976	7.9
323.07629	2.3
463.08875	27.3
464.09497	2.5
609.12549	47.9
610.13049	7.2
625.12048	19.5
626.11896	2.2
745.17334	2.6
771.15741	5.5
789.16364	8.2
790.16608	2.9
847.17029	17.9
848.17487	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	891.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02407	2.8
64.02712	1.3
65.00332	4.6
70.42720	0.9
75.00872	13.4
79.66064	1.1
83.01390	1.3
86.49010	1.2
107.01389	6.7
108.02134	1.3
109.02942	2.6
121.03001	5.0
133.02957	23.7
135.00885	1.3
135.04535	8.9
143.34059	0.9
145.02957	3.0
148.01715	1.1
151.00369	27.0
152.00783	1.1
161.02444	100.0
162.02792	4.8
163.00378	4.2
178.99887	12.7
179.03485	3.7
190.85788	1.0
211.61896	1.1
227.03477	2.4
237.04018	14.9
243.02911	8.7
244.03459	1.4
245.04431	1.6
254.02306	1.9
255.02974	23.8
256.03406	1.5
266.03116	1.1
271.02490	44.1
272.02985	4.3
273.04083	2.0
283.02509	3.0
284.03366	2.2
285.04019	5.7
299.01788	1.5
300.02756	92.6
301.03503	83.1
302.03867	6.3
310.24683	1.2
323.07919	1.5
325.07162	1.4
463.08859	28.9
464.09219	4.0
609.12445	55.8
610.12689	8.8
625.12073	16.5
626.11920	3.1
667.12250	1.2
745.17517	3.4
771.15503	5.8
772.15533	1.8
789.16547	8.8
847.17383	12.6
848.17065	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	889.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
66.79958	1.5
67.81596	1.4
69.72198	9.1
69.92294	1.4
72.99294	2.0
73.59015	1.3
75.00871	9.0
81.64223	1.6
85.01175	1.6
93.03465	1.9
93.55029	1.5
96.96014	2.1
98.20599	3.4
109.02965	5.4
118.99882	1.8
121.02945	9.9
125.02375	1.8
139.04044	1.5
145.02997	1.8
148.01695	4.7
149.02437	4.1
156.51851	1.5
161.02472	2.9
163.04105	2.3
171.04535	3.4
175.03949	2.2
183.04610	2.0
189.05586	2.3
192.86644	1.7
195.04561	3.3
199.03989	2.0
201.01997	2.8
211.04030	5.3
213.05577	3.3
217.05124	1.4
223.04076	19.9
224.04611	4.6
226.02495	1.7
227.03430	1.9
234.23137	1.4
235.04039	4.2
238.02597	2.4
239.03488	18.7
240.04179	5.3
241.05083	5.5
243.03096	3.3
251.03436	4.8
254.05856	1.9
255.03041	2.4
256.00061	2.0
266.02252	8.3
267.00104	2.5
267.02988	45.9
268.03513	6.0
269.01077	7.5
269.04556	6.3
271.02603	2.1
279.03055	14.0
280.03705	6.2
281.04474	2.8
283.02533	3.9
285.04080	6.7
293.56519	1.6
295.02502	8.6
303.06638	2.2
308.03384	2.1
309.04831	1.7
311.01816	3.8
313.03683	1.4
315.06680	2.4
318.05194	2.4
318.08630	2.1
319.06110	2.3
331.05923	1.9
341.04730	1.6
343.06143	6.4
347.05560	3.5
353.04617	2.0
359.05661	8.3
361.07281	2.9
371.05667	8.2
387.05258	11.8
388.05807	5.9
389.06604	4.3
416.05405	64.6
417.06131	39.2
418.06766	1.8
419.04019	5.5
420.04813	2.1
421.47223	1.5
434.06339	16.5
435.07010	9.2
443.27866	1.6
460.04303	6.3
461.05191	4.6
537.06812	8.1
725.17291	100.0
726.17645	23.4
743.17841	10.7
744.18677	3.6
769.16223	55.5
770.16663	14.4
801.18500	4.1
845.17896	22.1
846.18073	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	890.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
62.98534	0.2
71.01399	0.2
71.60763	0.1
85.02983	0.1
89.02459	0.2
101.02469	0.2
116.92895	0.1
117.84402	0.1
155.78767	0.1
179.14265	0.1
195.13936	0.2
206.12561	0.1
209.44037	0.1
223.13351	1.0
224.13782	0.7
225.13994	0.3
247.30272	0.1
299.92709	0.1
397.13672	0.2
398.13980	0.2
399.14157	0.2
424.48492	0.1
605.27106	0.1
623.28827	0.1
624.28735	0.1
749.34760	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	885.4857
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	2.5
69.03459	0.8
71.01385	17.8
72.99315	2.4
73.02945	2.5
80.02668	1.0
81.03458	2.1
82.25399	0.5
83.01396	1.6
83.05028	4.8
84.02172	0.8
85.02962	3.7
87.00893	4.0
89.02448	14.6
91.71653	0.6
95.01395	1.9
95.05055	1.2
97.02958	2.0
99.00903	1.7
101.02446	13.1
109.03036	0.8
111.00887	0.5
111.04569	0.7
113.02456	7.1
113.89909	0.6
119.03515	3.7
123.00885	0.6
125.02437	5.7
131.03482	0.6
143.03511	2.6
149.04565	1.2
150.19574	0.6
161.04526	3.0
163.11331	4.4
165.12857	2.1
179.05666	3.4
181.12393	1.3
191.10664	0.8
199.13333	0.7
209.11833	100.0
210.12212	6.7
217.07141	0.9
221.06580	1.1
225.11362	0.6
227.12862	13.2
228.13377	0.7
235.08231	6.0
263.07886	0.8
277.21722	55.5
278.22116	4.4
279.59943	0.6
287.07767	2.1
295.46609	0.6
298.95166	0.5
305.08771	2.4
323.09741	1.5
379.12448	5.7
397.13492	44.6
398.13834	3.3
415.14621	8.4
416.15015	0.8
607.25897	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
61.96512	1.3
69.71008	7.8
71.85074	1.1
75.00865	7.0
93.03469	1.5
93.78624	1.4
109.02953	3.9
118.99913	2.0
121.02991	8.5
127.29753	1.3
133.02975	1.8
139.04057	1.3
144.57996	1.5
148.01678	4.3
149.02449	1.6
149.13156	1.4
153.96719	1.6
161.02411	2.6
163.03999	1.7
171.04593	3.9
175.04039	3.6
189.01950	1.4
195.04521	1.4
199.03917	2.1
201.01959	3.8
211.04031	4.1
213.05571	3.3
215.03453	1.6
223.04047	18.6
224.04773	2.6
226.02747	2.0
227.03445	1.6
235.03972	3.8
239.03424	18.5
240.04160	5.2
241.05078	7.1
242.02280	1.5
242.05806	1.5
243.02960	3.1
244.62120	1.6
249.42863	1.3
251.03467	4.8
252.04019	2.5
255.02916	3.1
266.02109	6.2
267.02982	38.7
268.03488	3.7
269.00937	4.9
269.04477	4.1
279.03043	9.6
280.03641	5.2
281.04431	2.1
283.02484	3.5
285.04013	4.1
295.02432	7.8
308.03546	1.9
311.02112	2.1
318.05029	1.9
323.02051	1.6
324.02475	2.1
327.06567	1.7
343.06131	4.0
347.05548	1.8
359.05545	8.3
371.05670	6.6
387.04968	8.6
388.05807	5.4
389.06647	3.5
416.05426	54.4
417.06085	36.5
418.06775	3.0
419.04193	3.8
434.06311	9.8
435.07095	5.5
460.04312	3.6
461.05215	3.8
537.06714	4.1
725.17255	100.0
726.17700	21.9
743.18292	12.2
744.18665	4.2
769.16144	41.7
770.16583	11.2
801.19586	2.3
845.18036	20.8
846.17981	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	885.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	2.5
71.01382	1.1
71.53062	0.6
71.53404	1.0
72.61754	0.7
89.02467	1.4
100.46444	0.7
101.02436	1.3
113.02451	0.9
115.05568	0.7
116.92857	1.0
129.07089	0.7
130.04222	3.5
131.05049	4.9
133.02937	2.6
135.04529	10.1
141.03471	1.9
143.05051	7.0
145.06583	1.0
146.03725	0.9
158.03769	4.3
159.04526	100.0
160.04852	4.7
161.02417	1.6
167.14413	2.9
168.16286	0.6
172.05321	1.6
173.06064	5.9
183.04536	2.4
191.14577	0.8
193.15976	1.5
195.13710	0.9
197.06107	0.9
197.12022	0.6
200.04800	1.3
201.05582	23.6
202.06036	1.5
203.03482	3.5
209.11902	2.3
209.15424	3.7
211.13399	4.6
212.04758	0.7
217.15929	1.7
223.13428	1.0
225.05815	1.2
225.14958	1.1
227.16402	0.7
233.15508	1.3
233.43454	0.6
237.14861	0.9
239.07230	1.5
241.14435	1.4
245.04556	68.3
246.04947	4.2
251.16498	3.9
252.17064	0.7
253.09267	1.1
260.79730	0.7
261.15106	1.7
261.64322	0.8
289.18021	1.0
293.21249	3.6
295.15768	1.5
331.43753	0.7
337.18188	2.4
341.23380	2.7
351.19565	0.8
355.18533	1.3
369.19147	8.2
370.20154	0.6
379.19116	9.3
380.19467	1.4
393.20938	1.2
397.13651	2.4
397.20178	3.7
415.14740	1.3
423.17795	0.9
429.23318	0.8
429.30280	1.7
447.31210	2.3
471.23758	1.1
501.20996	0.9
515.22900	57.4
516.23163	8.1
529.24530	7.6
530.25031	1.2
639.37500	26.8
640.37842	4.4
813.71887	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4853
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	0.9
69.03464	0.9
71.01386	14.6
72.99316	1.3
73.02940	2.0
75.00900	0.5
80.02702	1.3
81.03460	2.2
83.01376	1.7
83.05028	5.0
84.02199	0.8
85.02955	3.1
87.00880	3.5
89.02445	11.3
91.04021	0.4
95.01396	1.3
95.05029	0.7
97.02944	2.3
98.19891	1.0
99.00877	0.8
101.02451	10.9
102.02744	0.3
109.06612	0.6
111.04538	0.5
113.02457	6.5
115.04017	0.5
119.03494	3.1
125.02460	5.3
125.06074	0.9
131.03506	0.3
133.05075	0.4
134.89481	0.6
135.08147	0.7
143.03516	2.4
147.11765	0.3
161.04564	2.8
163.11296	4.3
165.12852	2.7
167.03445	0.3
179.05588	3.4
181.12389	0.7
191.10811	1.1
199.05969	0.5
199.13339	0.4
209.11826	100.0
210.12158	7.2
211.07764	0.4
211.13446	0.4
217.07074	0.7
221.06671	1.3
225.11339	0.7
227.12897	12.1
228.13237	0.4
233.22794	0.3
235.08218	5.1
251.12955	0.5
253.09296	0.9
259.08212	0.4
263.07736	0.4
277.21716	42.8
278.22049	4.5
287.07639	1.6
291.23447	0.3
305.08826	1.2
323.09763	0.6
361.11652	0.3
379.12454	5.9
380.12909	0.4
397.13492	32.2
398.13727	2.5
402.95044	0.3
415.14554	8.6
416.14813	0.6
437.41574	0.3
589.24585	0.5
607.25714	1.1
625.26904	0.4
675.36328	0.4
885.46906	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	2.7
70.74176	2.1
70.80467	0.9
71.01401	2.1
75.04669	0.9
78.20529	0.8
89.02455	1.2
95.24459	0.9
98.20204	1.8
108.05431	1.0
116.92915	1.5
129.07114	1.0
130.04247	2.4
131.05031	5.0
133.03006	2.1
135.04535	13.2
141.03464	1.0
143.05045	11.3
158.03757	3.1
159.04523	100.0
160.04839	4.8
161.02460	2.0
162.30890	0.9
167.14388	2.4
172.05324	1.8
173.06049	6.7
183.04558	1.6
193.16032	2.0
200.04771	2.1
201.05585	25.2
202.05920	1.7
203.03543	3.6
209.11972	4.3
209.15483	4.7
211.13373	2.5
217.15941	1.9
223.13507	0.9
225.05580	1.5
226.06383	1.0
227.16620	1.7
233.15552	1.9
239.07167	1.1
245.04549	72.8
246.04906	3.4
251.16566	2.8
261.14908	1.1
293.21335	2.0
295.15823	1.0
337.17886	2.1
341.23438	1.3
355.18802	2.1
369.19159	7.1
379.19098	9.9
380.19421	1.7
397.14493	1.2
397.20157	4.3
436.93243	1.0
447.31281	3.2
471.63037	1.0
515.22864	65.0
516.23010	8.8
529.24664	6.7
639.37408	29.5
640.38153	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	885.3977
Annotation	Unknow
Peak:m/z	Relative Intensity
66.97379	0.5
69.77062	0.5
70.96397	0.4
71.01386	27.0
72.50713	0.5
72.99323	0.6
73.02953	9.8
75.00864	1.0
83.01389	6.0
85.02950	14.3
86.00111	1.1
86.03300	0.6
87.00894	1.3
89.02460	3.9
95.01398	1.9
97.02970	1.7
99.00892	4.4
101.02451	23.2
112.61787	0.5
113.02449	11.4
125.02463	1.5
127.11359	0.6
129.02000	0.7
131.03496	3.3
143.03497	1.5
144.74551	0.6
149.04442	0.5
159.02910	2.3
161.04559	11.0
162.04858	0.5
179.13635	0.5
192.09750	0.5
273.17026	1.2
289.16623	1.1
291.18134	27.0
292.18469	2.0
329.65607	0.6
331.17792	0.7
333.19202	14.9
334.19653	0.7
377.18283	0.8
405.21213	2.8
406.21597	0.6
411.54764	0.5
423.22360	26.6
424.22830	3.0
465.23407	100.0
466.23737	13.5
693.29034	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4702
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	6.7
69.03452	2.4
71.01387	29.6
72.01704	0.9
72.99303	2.8
73.02951	4.4
73.81934	0.7
75.00871	0.9
78.95914	0.7
80.02686	1.2
81.03468	3.7
83.01394	3.4
83.05020	2.6
85.02959	7.4
87.00872	6.9
89.02448	21.0
93.03458	1.1
95.01369	2.0
95.05000	1.1
97.02952	14.3
99.00872	3.2
99.04539	1.0
101.02449	19.5
109.02977	0.9
109.05872	1.7
109.06598	30.8
110.03741	1.7
110.06976	1.1
111.04562	1.8
113.02464	12.1
114.02716	0.9
116.92865	2.3
119.03488	5.9
121.06589	2.2
123.00834	1.0
123.04527	1.6
125.02461	8.5
125.09710	1.0
135.04524	1.0
135.08159	4.8
136.05299	3.1
141.02013	1.1
142.02753	4.1
143.03511	3.0
159.04584	0.8
161.04556	4.4
161.09729	2.2
163.11299	19.8
169.50914	0.7
179.05592	6.1
179.10680	0.8
181.12360	4.8
189.09236	1.7
207.10268	100.0
208.10616	5.8
209.11818	1.4
217.07257	0.9
221.06657	2.4
225.11327	34.7
226.11671	2.9
229.54887	1.0
235.08221	7.5
243.12477	0.9
253.09294	2.1
255.54173	0.7
263.07697	1.0
277.21719	70.3
278.22055	6.9
287.07718	1.0
299.15051	1.5
305.08850	1.9
323.09805	1.5
362.83636	0.8
369.15594	1.1
379.12540	5.9
397.13513	54.0
398.13730	5.6
415.09558	1.1
415.14624	13.0
587.23578	1.4
605.24683	5.3
606.24927	1.4
623.25653	5.5
675.35992	1.3
865.46362	2.1
883.46973	54.6
884.47205	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
61.36066	0.8
61.98816	1.0
71.01393	1.4
75.00877	16.5
86.76785	0.8
92.17972	0.8
93.03461	1.9
106.74156	0.8
109.33341	0.7
117.03480	16.7
119.05032	25.0
120.05376	1.2
123.04541	2.4
130.04166	0.8
130.60020	0.9
131.05025	1.0
133.02960	2.1
133.06578	1.6
134.35556	0.8
135.04507	0.8
136.07660	3.4
138.09291	1.4
145.02962	100.0
146.03319	3.9
148.04079	2.3
150.05646	2.4
151.96545	0.8
161.04753	0.8
161.62212	0.9
162.05612	0.9
163.04033	10.4
173.10849	0.8
174.04272	1.2
177.05566	4.2
177.94363	0.7
180.06625	0.9
185.10892	1.0
190.07492	1.7
197.10829	2.3
199.08762	2.7
203.03484	2.2
213.10268	1.6
213.13956	5.1
221.04550	19.8
230.68427	1.2
232.08459	2.3
233.08902	0.9
239.09669	1.1
239.11925	10.4
240.12219	1.4
245.09381	0.9
253.13510	1.5
285.04120	0.9
308.17654	9.7
309.18207	0.9
319.17966	1.1
320.17892	1.3
333.14847	1.9
336.20749	3.1
360.16995	3.4
362.18808	26.4
363.19016	3.0
364.41794	0.9
372.42178	1.1
380.19775	15.4
381.20187	2.3
406.17712	5.7
424.18866	7.5
426.20203	0.9
436.18982	5.9
451.86340	0.9
453.17990	1.0
454.19525	1.9
470.19193	1.0
508.22873	1.3
537.34424	0.8
552.21619	3.0
570.22223	5.2
571.22443	1.3
586.03656	1.1
587.24921	1.7
588.24023	0.8
602.24792	1.9
617.25598	1.1
618.24487	2.6
628.22711	1.4
632.25977	1.4
646.24152	14.4
647.24615	2.9
658.24176	3.0
674.25562	1.7
675.26312	1.9
676.25269	20.7
677.25372	5.1
809.30505	10.4
810.30981	2.8
839.31787	12.1
840.32654	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	883.47
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98841	5.3
63.05096	0.4
64.20058	0.5
68.99821	0.5
69.03455	1.9
70.18616	1.9
71.01384	23.3
72.99317	1.7
73.02956	2.8
75.00864	0.9
80.02675	1.4
81.03458	3.9
83.01382	2.3
83.02861	0.5
83.05028	3.6
84.58266	0.4
85.02957	5.6
87.00882	5.3
89.02449	17.8
89.02992	1.0
93.03464	1.0
95.01377	2.1
97.02956	11.7
97.03560	0.8
97.06605	1.0
99.00886	3.3
99.04545	0.5
101.02447	15.0
107.05078	1.1
109.02977	0.7
109.06593	36.0
110.03735	1.5
110.06958	1.1
111.00874	0.7
111.04549	0.6
113.02455	8.9
116.92867	1.0
119.03519	4.3
121.06617	1.8
123.00895	0.6
123.04535	0.7
125.02445	5.8
125.09715	0.9
126.02881	0.6
129.01900	0.5
131.03511	1.0
134.05159	0.4
135.08160	5.4
136.05319	1.8
141.01939	1.5
142.02736	2.7
143.03474	3.1
143.28682	0.5
161.04552	3.8
161.09764	2.4
163.11287	19.9
164.11595	1.1
179.05614	5.1
179.10738	1.2
181.12341	4.5
189.09177	2.8
207.10263	100.0
208.10603	6.8
209.11771	3.6
217.07193	0.6
221.06680	3.0
225.11317	41.7
226.11710	2.1
235.08199	5.3
243.12373	1.9
253.09438	1.1
263.07666	0.7
277.21713	54.4
278.22034	5.7
281.13922	0.7
287.07745	1.4
299.15018	1.8
305.08746	2.0
323.09897	1.4
379.12421	5.8
397.13507	38.3
398.13821	3.5
415.14529	11.8
416.14218	0.9
438.12845	0.5
441.33694	1.0
443.18903	0.6
506.73926	0.4
577.99567	0.5
587.23566	1.2
605.24622	8.6
606.24670	1.2
608.01617	0.5
613.64270	0.5
623.25665	8.3
624.25983	1.4
865.45801	1.5
883.46912	46.7
884.47321	14.9
884.64648	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99834	1.1
69.74068	3.3
71.01369	0.7
71.25204	0.5
75.00880	13.8
82.92780	0.5
93.03449	1.8
102.94812	0.5
117.02631	0.9
117.03478	18.0
118.03849	0.7
119.05040	27.0
120.05383	0.9
121.02989	0.7
123.04536	1.9
130.04199	0.6
131.05040	1.1
133.02969	3.0
133.06619	1.6
136.07706	4.5
138.09254	2.2
145.02965	100.0
146.03293	3.4
159.04510	0.9
162.05638	1.1
163.04010	11.1
167.12970	0.6
173.10867	1.5
175.04047	1.0
177.05598	3.2
177.09184	0.6
185.10892	1.2
197.10909	2.8
198.11444	0.8
199.08777	2.3
203.03535	1.8
212.36406	0.6
213.13982	6.0
221.04567	20.5
222.05031	1.1
225.10257	0.9
238.10915	0.9
239.11903	13.4
240.12323	1.3
253.13489	1.4
308.17697	10.6
309.17905	0.8
320.17786	2.3
333.14969	1.6
334.72806	0.7
336.20767	3.4
337.21143	0.7
347.16486	0.9
354.50778	0.7
357.16101	0.9
359.16632	1.3
360.17242	2.5
362.18747	26.5
363.18863	2.6
371.13983	1.0
380.19775	18.1
381.20215	2.3
406.17648	6.1
407.17334	0.6
424.18768	8.5
425.19080	0.9
431.22986	0.9
436.18619	4.1
454.20184	1.9
482.24646	0.9
508.22662	1.4
526.23767	0.8
552.21509	3.5
553.21350	0.9
570.22449	6.9
571.22601	1.3
587.25433	1.9
588.24139	1.5
600.23529	1.3
617.26678	1.3
618.24744	3.1
628.23157	1.1
632.26514	0.9
646.24048	17.4
647.24664	3.3
658.24304	1.7
676.25061	17.4
677.25189	3.5
809.30292	10.0
810.30621	3.1
821.30084	2.1
822.30963	0.9
839.31628	10.5
840.30676	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	883.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99846	0.7
71.01379	1.3
71.26731	0.7
75.00884	16.1
85.02955	0.6
93.03471	2.0
98.20644	1.7
101.02504	0.7
117.03477	16.6
119.05040	29.4
120.05437	0.8
123.04511	2.2
125.42548	0.6
130.04274	0.8
131.05099	1.2
133.03004	3.2
133.06625	1.2
134.03777	0.8
134.06184	0.7
135.04538	4.8
136.07664	4.6
138.09279	1.3
139.84515	0.6
142.06639	1.3
145.02965	100.0
146.03322	4.2
147.04512	0.8
158.03784	0.7
159.04524	1.4
161.02454	1.8
162.05530	1.2
163.04015	10.2
165.05656	0.8
173.10844	1.5
177.05574	4.1
183.50238	0.6
185.10867	0.9
186.05602	0.7
197.10896	2.0
199.08746	2.3
203.03644	1.3
213.10431	0.9
213.14014	4.3
221.04558	21.9
222.04924	0.9
223.06276	0.7
229.06221	2.4
230.06535	0.8
238.11336	0.6
239.11899	10.9
240.12239	1.0
253.13521	1.5
269.17709	1.2
278.13116	0.5
290.13251	0.6
291.13989	0.9
306.16214	0.6
308.17645	8.6
309.18039	0.9
319.17834	0.8
320.17712	1.7
331.13318	1.0
333.14804	1.2
336.20905	4.0
343.14505	1.2
344.17847	0.9
347.16492	0.9
359.16760	1.3
360.17133	2.9
362.18741	25.7
363.19250	3.1
365.11426	2.5
376.16483	0.7
376.20911	1.0
378.17819	0.6
380.19781	19.3
381.20157	2.2
406.17712	5.0
421.61304	0.6
424.18759	7.1
425.19199	1.1
436.18860	5.1
437.18527	0.7
454.19940	2.4
473.24011	1.0
508.22510	1.2
540.60382	0.7
543.25647	0.8
552.21283	3.1
553.21637	0.9
570.22290	4.1
587.25360	1.2
588.24817	1.0
617.25964	1.6
618.25024	1.8
628.22821	0.9
632.26080	0.9
646.24072	14.5
647.24701	2.6
658.24841	1.7
676.25140	19.1
677.25488	3.3
809.30426	10.5
810.30316	3.8
821.30475	2.0
839.31409	12.9
840.31708	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	882.4875
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
70.74810	1.2
70.75129	0.6
71.01399	1.3
89.02465	1.2
95.17903	0.7
101.02472	1.4
116.92883	2.2
195.13515	0.6
207.10199	0.6
223.13414	4.8
224.13791	1.6
277.21719	2.6
278.22086	0.8
308.37292	0.6
346.94705	0.6
397.13742	1.9
398.13855	1.2
592.35773	0.6
636.20483	0.7
767.10986	0.6
816.74744	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
64.26058	1.0
68.99821	1.9
69.37881	9.0
71.01396	1.5
75.00880	34.1
89.18861	1.2
93.03478	3.8
97.06611	2.0
98.26458	1.3
107.04989	1.2
108.02197	6.4
109.02999	1.2
117.03481	16.1
119.05032	28.9
120.04583	1.1
120.05398	1.4
120.06991	1.0
121.02969	4.6
121.05428	1.4
122.03332	1.2
123.04546	3.1
131.05023	1.6
133.02928	3.3
133.06590	2.4
135.04544	20.8
136.04836	7.6
136.07698	6.0
138.09248	1.6
145.02968	100.0
146.03336	6.5
147.04485	6.1
148.05153	1.4
151.03943	1.5
159.04533	2.0
161.02382	1.1
162.05510	1.2
163.04021	23.9
164.04382	1.9
165.05626	3.9
173.02466	1.2
177.05589	6.3
190.07285	1.7
191.03519	26.4
192.04120	16.1
193.04379	4.7
203.03531	3.1
205.08821	1.2
213.10506	1.3
213.13982	2.6
221.04562	28.6
223.06139	4.2
238.11101	1.3
239.11958	4.7
253.13593	1.8
264.15170	2.3
289.10782	6.6
290.10934	2.1
291.11505	2.7
308.17682	4.5
331.13281	1.7
336.20883	5.2
343.13962	1.1
349.14508	1.1
360.17172	7.2
362.18774	26.8
363.19034	2.5
377.08841	2.0
378.18277	3.8
380.19781	20.5
381.20053	3.0
390.18225	1.6
392.19849	2.2
406.17618	2.3
424.18866	4.6
436.18976	5.8
454.19904	5.3
456.27750	1.1
482.24258	2.0
497.62845	1.3
508.22687	1.1
526.23627	1.2
543.26465	2.5
556.25220	1.3
570.22394	3.0
600.23401	3.2
602.24988	1.7
617.25403	1.5
618.24762	3.5
632.26477	2.7
646.23749	7.0
647.24530	2.1
658.23792	5.5
659.25159	1.7
675.26807	1.4
676.25085	29.4
677.25433	6.0
795.32318	1.6
809.30237	3.2
821.30109	2.9
822.30640	1.2
839.31598	16.4
840.31189	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	881.4898
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	30.6
69.03438	3.7
71.01386	20.5
71.05035	0.8
72.99315	1.7
73.02943	3.2
75.00880	0.5
81.03450	0.8
83.01378	2.5
83.05025	0.6
85.02966	4.4
85.06570	0.5
87.00873	5.0
89.02445	17.4
93.03431	0.4
93.85056	0.4
95.01407	1.7
95.05034	0.6
97.02961	2.7
97.06595	0.6
99.00872	1.2
99.04568	0.4
99.88650	0.3
101.02448	14.1
102.02782	0.5
109.06586	0.7
111.00923	0.4
111.04535	0.4
113.02455	9.8
113.03236	0.5
115.03986	0.4
116.92867	0.5
119.03497	4.0
125.02451	7.0
125.09795	0.4
131.03535	0.8
132.55539	0.3
133.05104	0.4
135.11752	0.5
137.02425	0.3
141.01881	0.6
143.03477	3.0
149.04529	0.4
149.09737	0.6
161.04535	4.0
167.03499	0.3
167.10759	3.1
177.12801	0.6
179.05602	5.7
179.10767	1.2
179.14421	3.3
184.18282	0.3
185.11801	0.3
195.13913	10.3
196.14232	0.4
200.18437	0.4
205.12337	9.8
206.12596	0.8
217.07123	0.7
221.06654	2.5
223.13391	100.0
224.13731	6.6
226.27705	0.3
235.08220	5.2
240.91350	0.4
253.09256	0.9
259.08200	0.5
263.07755	0.9
265.14499	0.6
275.20316	0.3
277.21719	55.6
278.22079	5.3
287.07718	1.5
305.08679	1.9
323.09793	1.4
361.01413	0.4
361.11670	0.4
379.12485	7.5
380.12946	0.7
383.23300	0.4
397.13519	41.7
398.13855	3.8
415.14545	11.0
416.15143	1.0
441.21368	0.4
510.97272	0.4
518.67334	0.3
603.26489	7.9
604.27026	1.1
621.27698	8.9
622.28131	2.0
675.35858	0.9
881.49567	0.8
882.50323	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	8.1
69.77215	13.9
70.60861	1.9
71.01385	16.8
73.02949	13.7
75.00880	5.0
82.02975	6.2
83.01384	6.3
85.02935	4.0
89.02458	4.0
101.02430	15.0
109.02975	4.1
113.02430	4.5
119.03571	2.8
120.04558	3.0
122.09748	2.7
132.78995	2.4
135.04535	5.3
145.02939	4.5
147.04491	3.4
148.04057	19.1
149.04861	13.2
149.05946	3.6
150.05591	36.4
154.05159	2.4
160.04051	4.8
161.04773	13.4
162.05568	3.3
164.03583	5.6
173.03534	9.9
174.04337	26.1
174.05606	3.3
175.05116	9.3
175.06435	3.1
177.05515	5.9
186.05504	3.2
187.06277	3.3
189.06682	7.9
190.07462	28.2
191.03517	6.7
191.08141	5.4
201.07899	3.7
202.08841	4.3
203.06020	3.2
213.05568	10.1
214.11082	5.2
228.06631	3.3
231.07745	4.8
231.72166	2.3
232.08539	34.4
233.09338	10.9
242.10681	2.5
243.07739	6.2
244.08276	17.7
245.07019	2.5
245.09296	13.3
245.42877	2.5
262.09506	3.1
268.08597	3.6
271.14459	6.3
286.09531	7.5
287.10321	6.7
294.16089	2.5
300.03076	2.3
315.13547	4.0
366.18192	2.8
398.17130	4.1
405.21353	32.5
406.21826	2.6
408.18930	2.7
426.20288	6.2
434.17291	5.2
452.18289	14.9
467.16815	3.0
470.19302	16.3
471.19708	3.0
519.19702	3.8
602.23407	11.9
614.23279	5.6
615.24158	3.5
633.25323	6.9
656.24396	7.0
657.23254	8.7
658.21844	3.1
674.25671	100.0
675.26123	17.5
678.12933	2.6
765.29895	3.6
819.30249	3.4
837.31775	29.2
838.32471	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	879.4957
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	8.7
63.64343	1.5
66.35388	1.5
71.01385	21.7
71.61690	2.2
72.32085	1.5
72.99294	2.0
73.02955	3.2
80.80724	1.5
83.01384	2.8
85.02977	4.6
87.00882	3.1
89.02448	17.1
95.01423	2.3
95.05015	2.2
97.02972	3.1
101.02438	14.8
109.06558	2.2
113.02459	9.2
119.03474	5.2
125.02431	9.4
127.11284	2.8
132.07524	1.6
143.03482	2.2
161.04616	4.8
161.09596	1.8
163.11319	2.7
171.10275	100.0
172.10640	6.4
179.05574	6.1
189.09245	3.2
190.65585	1.6
197.11763	3.0
207.10144	8.4
217.07118	1.8
225.11319	36.1
226.11620	3.3
235.08234	5.2
243.12364	6.6
243.62236	1.6
253.09288	2.0
255.23305	68.2
256.23624	6.0
287.07718	2.6
305.08762	1.9
356.07056	1.7
379.12399	17.9
386.34058	1.7
397.13522	44.6
398.13858	2.9
415.14667	9.0
501.25659	1.9
551.23499	7.0
569.24390	5.7
605.24670	4.2
623.25610	7.1
635.37091	3.6
653.37659	3.7
815.96399	2.0
861.48700	7.2
862.47742	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	879.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00311	1.4
66.31272	1.3
69.65886	5.9
71.01393	14.2
71.48023	1.2
73.02950	12.6
75.00877	7.4
80.24680	1.1
83.01408	4.7
85.02955	2.2
89.02451	3.1
93.03474	1.8
99.71431	1.1
101.02450	15.3
107.01398	4.4
107.78897	1.2
108.02179	2.0
109.02971	3.0
113.02462	3.0
117.03434	1.9
119.05013	10.1
120.05338	2.5
121.02987	3.2
125.01459	1.1
125.02405	1.3
133.05328	1.3
143.03542	1.5
145.02965	20.0
146.03273	6.4
147.03519	1.4
149.04582	1.2
151.00359	12.5
153.01964	1.3
159.04489	1.6
161.02463	5.4
161.04575	3.2
162.02774	1.8
163.00424	2.5
163.04004	4.5
178.99812	4.4
183.00439	3.8
183.10260	2.1
211.03981	1.8
213.63306	1.4
217.10875	3.7
221.04654	8.2
221.06598	1.9
222.04872	5.1
223.05154	1.5
227.03447	2.6
243.02986	4.7
245.04301	2.0
254.02147	2.2
255.03001	18.2
256.03333	2.3
266.13712	1.2
271.02496	33.1
271.05392	2.1
272.02994	5.1
283.02475	1.8
285.03769	1.7
300.02777	68.6
301.03516	55.7
302.03784	7.2
303.03818	1.8
387.11404	2.3
387.16599	47.3
388.16888	5.5
431.23718	8.8
447.09360	100.0
448.09723	14.2
449.10175	1.6
506.56375	1.6
508.43134	1.2
777.17194	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	879.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
68.32439	1.0
69.03475	2.7
70.63292	1.8
70.63636	2.5
75.00915	1.5
81.03457	3.2
83.01382	9.7
83.99131	1.1
84.05566	1.1
93.03464	3.5
95.01402	4.1
95.05026	1.4
97.02940	3.6
107.01359	1.2
107.05068	1.5
108.02142	1.9
108.11039	1.2
109.02959	23.5
111.04510	3.3
117.03481	1.3
121.02969	7.3
123.00874	5.0
123.04530	3.9
124.01660	4.2
125.02451	100.0
126.02779	2.6
131.05045	1.2
133.02953	5.3
135.00879	2.9
135.04495	3.3
137.02451	53.5
138.03107	1.6
139.04004	15.5
145.02963	1.7
147.00888	2.3
147.04582	5.3
148.01685	1.4
149.02455	24.5
151.04024	6.5
159.04500	4.5
160.01711	1.2
161.02454	34.6
161.06058	1.9
162.03027	1.9
163.00366	15.6
163.03995	3.3
164.01147	9.3
165.01935	17.2
166.02573	1.2
167.03529	15.0
167.04939	1.8
171.04521	1.9
173.06012	1.3
174.03246	2.4
175.04010	16.8
176.01154	4.6
177.01924	20.8
177.05573	5.1
178.02597	1.8
179.03508	15.9
185.06111	2.7
187.04001	3.5
189.01955	3.0
189.05597	3.7
191.03496	3.7
191.07089	1.8
197.06166	1.4
199.03937	5.9
201.01891	3.2
201.05565	2.6
203.03471	6.3
204.04254	2.8
205.01382	4.5
205.04901	1.6
211.04025	4.2
213.05530	2.3
214.02679	1.5
215.03473	5.6
217.01616	1.3
217.05069	7.1
219.03006	1.9
219.06543	9.4
221.04521	6.2
223.04184	1.5
225.05693	2.0
227.03415	2.6
227.70044	1.2
227.86032	1.1
228.04185	2.1
229.04974	3.0
231.02917	1.7
231.06700	1.3
237.05544	1.6
239.03587	1.2
241.04985	6.5
243.02992	11.1
243.06584	2.4
245.04559	8.6
245.08113	1.3
247.02502	1.2
255.02951	14.0
256.03687	3.6
257.04565	5.8
259.05997	1.3
261.07751	3.0
267.02954	2.0
268.03696	2.1
269.04532	4.0
271.02557	2.0
271.05438	1.4
279.03128	1.5
283.02454	6.5
283.05759	2.5
284.03070	1.9
285.04041	40.3
286.04468	4.0
287.05667	9.9
288.02872	2.5
289.07239	9.0
295.02451	1.2
297.04056	3.8
299.05588	14.2
305.06665	97.2
306.07202	7.7
307.06110	3.9
309.04105	1.9
345.06299	2.4
375.05038	1.9
405.06021	1.9
411.07190	85.2
412.07550	9.1
423.07043	10.7
424.07587	1.7
441.07693	1.5
447.07315	4.4
451.06592	1.5
467.09860	37.3
468.09915	5.2
531.09210	4.2
541.07739	5.1
546.99225	1.3
559.08752	19.0
560.09375	2.9
573.10345	17.7
574.10992	2.7
583.08966	2.2
593.13074	2.2
709.12042	29.7
710.12573	4.4
711.13971	4.4
712.14246	1.3
727.13123	11.0
728.13184	4.1
879.17395	3.2
880.18579	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4806
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	1.1
62.58558	0.5
68.99801	0.5
69.03459	4.1
71.01389	15.7
71.05013	1.7
72.99312	1.4
73.02956	2.6
81.03473	0.5
83.01405	1.1
85.02959	3.2
87.00885	1.9
89.02447	11.1
95.01384	0.8
97.02939	2.4
97.06607	0.7
99.00892	1.1
99.92663	0.7
101.01798	0.6
101.02457	9.9
113.02452	4.6
116.92874	5.3
119.03532	2.6
123.08195	0.9
124.01637	0.5
125.02470	1.9
125.09760	2.2
131.03517	0.5
137.09789	0.6
151.11307	1.7
153.12881	1.5
161.04568	1.2
161.09741	2.4
162.10074	0.5
171.10251	0.6
179.05617	0.8
179.10762	4.7
189.01196	0.4
197.11835	65.8
198.12184	4.4
221.06662	2.5
223.09787	2.0
235.08237	1.0
241.10849	4.1
255.23317	29.5
256.23706	2.6
275.65207	0.4
397.13449	2.0
470.11346	0.5
475.98880	0.5
621.23547	0.8
639.25287	1.0
757.54950	0.5
763.69165	0.5
779.48291	0.5
870.01886	0.5
877.48041	100.0
878.48315	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	877.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	4.2
69.03477	3.6
71.01391	15.0
71.40915	2.2
73.19891	1.3
76.39029	1.4
85.02919	2.2
89.02453	11.6
97.02936	2.3
99.00877	1.7
101.02434	10.1
113.02437	2.8
119.03485	2.2
123.08203	2.1
125.09712	1.9
151.11356	2.0
161.09680	4.4
179.10811	7.1
197.11844	34.3
198.12042	2.0
238.15242	1.5
241.10782	2.3
255.23315	53.2
256.23627	4.5
397.13126	1.9
767.81213	1.6
877.48071	100.0
878.48267	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	877.4084
Annotation	Unknow
Peak:m/z	Relative Intensity
66.06227	0.7
70.49393	1.7
70.49787	1.5
71.01389	22.5
72.99291	1.3
73.02957	10.9
75.00866	1.7
83.01382	4.3
85.02951	5.4
85.65103	0.8
87.00901	2.0
89.02448	12.8
95.01410	1.3
97.02977	1.2
101.02451	17.3
109.02985	1.3
113.02459	12.3
119.03518	5.0
119.05027	1.1
121.02977	0.8
125.02464	1.0
131.03482	1.7
132.04556	1.3
135.04469	0.9
136.04056	1.0
137.10199	0.7
138.01988	5.7
141.31923	0.7
143.03511	2.2
147.04532	1.7
149.04533	1.6
153.09195	5.1
161.02481	1.9
161.04550	4.9
164.08789	0.7
179.05603	1.7
221.06683	1.5
225.81129	0.8
243.11475	1.4
243.15997	5.4
282.38385	0.9
287.10458	0.9
345.05640	0.9
359.08762	2.2
361.78397	0.9
387.20282	26.1
388.20520	2.7
405.21347	8.6
406.21921	1.3
447.22372	100.0
448.22745	14.3
485.34631	1.1
491.20969	4.6
634.94086	0.9
640.76520	0.9
682.96106	0.9
757.18939	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	0.8
63.02405	1.7
64.36629	0.6
65.00320	1.2
66.93943	0.6
69.48556	4.8
71.01392	1.9
73.02959	0.7
75.00872	6.1
83.01395	1.2
91.01868	0.8
93.03472	3.8
98.20625	1.1
101.02483	1.3
107.01410	3.1
109.02969	2.8
111.00874	5.3
113.02448	0.6
117.03509	0.9
118.99857	1.0
119.05007	1.8
125.02437	0.9
129.48312	0.7
133.03029	0.9
135.00862	1.4
135.04529	2.5
145.02962	2.1
145.06650	0.7
151.00415	3.9
159.04506	2.2
161.02463	3.3
162.02765	1.1
163.00374	2.2
163.04048	0.8
166.05063	0.7
167.05092	0.9
169.01471	1.1
169.06557	0.8
171.04491	1.2
173.02443	0.7
177.05537	1.5
183.04518	1.1
185.06078	3.2
187.03995	3.3
189.05589	1.6
191.03528	1.0
195.08168	1.7
197.06178	0.7
209.11815	0.7
210.20609	0.7
211.03993	2.4
211.07816	0.8
213.05554	2.4
215.03493	2.1
223.07663	2.9
227.03503	13.5
228.03970	1.5
229.05035	9.6
230.05391	1.2
237.04005	1.2
239.03453	1.2
239.10809	1.4
240.04395	0.8
241.05103	1.3
241.08682	1.9
255.02986	24.4
256.03738	4.1
257.04559	6.4
258.04861	0.9
265.08749	2.1
267.03067	1.1
283.09637	1.6
284.03265	31.5
285.04047	100.0
286.04398	9.7
292.47903	0.7
299.09091	0.7
309.07648	3.1
312.75806	0.6
324.01147	0.7
338.37601	0.6
346.18674	0.7
365.11414	1.0
447.09225	9.0
471.13208	1.2
594.13770	0.8
595.13989	0.8
645.16266	0.7
663.13239	1.0
671.17657	1.4
672.17133	0.7
697.16266	1.2
713.18970	2.7
714.19318	1.0
715.16241	3.6
716.16919	0.9
757.17688	30.9
758.17938	8.3
775.18616	2.8
776.19086	0.9
833.20636	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02394	1.2
65.00306	1.0
69.60568	1.4
69.60970	3.0
71.01392	3.0
73.02987	1.3
74.87582	0.5
75.00879	5.6
77.70037	0.6
83.01391	2.2
85.02956	1.3
89.02451	0.5
93.03460	3.1
101.02448	2.1
107.01371	3.1
107.89396	0.5
109.02958	1.3
111.00873	0.7
113.02432	1.2
117.03491	0.7
118.99892	0.9
119.05045	2.7
125.02477	0.7
133.02972	1.7
135.00914	1.1
135.04559	1.0
137.02477	0.8
139.04002	1.1
143.05023	1.5
145.02951	2.4
151.00360	6.1
157.06596	0.7
159.04500	1.6
161.02438	4.8
162.02768	1.4
163.00383	2.4
163.04074	1.1
165.01909	1.0
169.01433	0.9
169.06566	1.4
171.04521	1.2
173.06046	0.6
177.05582	1.2
183.04492	0.8
185.06064	2.3
187.04039	3.0
189.05602	1.4
195.08163	2.0
197.06030	1.7
199.04010	1.3
211.03975	2.9
212.04788	0.7
213.05562	2.2
221.09734	0.6
221.27547	0.6
223.07642	5.9
227.03522	12.2
228.03961	2.3
229.05040	11.9
230.05328	0.8
239.03490	1.4
239.10805	1.7
240.04318	1.0
241.04987	1.9
241.08727	0.9
255.03008	16.0
256.01099	0.6
256.03464	3.5
257.04538	7.4
265.08713	1.7
267.02954	0.9
283.02829	0.9
283.09641	2.8
284.03262	20.7
285.04056	100.0
286.04407	9.0
307.08252	0.6
309.07742	1.5
327.05127	1.5
367.07913	1.0
367.12155	1.1
370.59244	0.6
373.22379	0.8
415.23373	1.6
417.21344	4.7
427.13934	1.0
447.09256	6.5
448.09164	1.1
471.13135	3.1
547.15283	0.7
551.13507	0.8
584.62305	0.7
593.13007	1.6
594.13104	1.2
595.13116	1.7
611.12817	0.6
660.60394	0.6
671.17621	3.5
672.18127	1.1
697.15222	0.7
713.18689	22.7
714.19006	6.2
731.20593	1.4
757.17731	11.7
758.17847	2.6
833.20233	1.0
897.16803	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00324	1.1
65.04523	0.7
69.44122	6.5
75.00866	4.7
83.01382	1.0
86.64949	0.7
89.02492	0.7
93.03461	4.2
101.02428	1.2
107.01385	2.6
109.02959	2.0
111.00900	5.8
118.99876	1.8
119.05028	2.1
122.74844	0.8
123.00862	0.9
131.05103	0.9
135.00900	0.7
142.66414	0.8
143.05043	1.9
145.02954	2.3
150.56940	0.7
151.00410	3.2
152.90367	0.8
153.01993	0.8
157.06548	1.0
159.04478	1.7
161.02437	1.7
163.00381	1.8
165.01974	0.9
169.06596	1.8
171.04503	1.2
185.06075	2.6
187.04051	4.0
189.05737	1.2
195.08170	1.7
197.06093	1.4
199.04002	0.9
211.04044	2.0
213.05573	2.2
215.03455	2.9
223.07709	5.2
227.03503	15.4
228.03943	1.4
229.05014	11.4
230.05324	1.1
239.03476	1.3
241.05116	1.8
241.08691	1.9
243.02856	0.9
255.02994	24.7
256.03516	4.6
257.04578	8.3
265.08670	2.1
267.02917	0.8
283.09619	1.5
284.03275	33.1
285.04041	100.0
286.04437	8.3
309.07776	2.6
447.09311	10.6
448.09723	1.2
471.12732	1.1
645.16541	0.9
663.13135	1.1
671.18127	1.5
697.15131	1.0
713.19275	1.9
715.17157	2.4
731.19342	1.1
757.17743	40.7
758.17877	10.9
775.18848	3.3
776.20306	1.0
833.19226	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	7.6
63.28378	1.1
66.89493	1.1
69.03451	3.6
70.93578	1.3
71.01388	22.4
71.03428	1.9
72.99326	3.3
73.02958	2.7
75.00888	3.1
83.01409	1.4
85.02953	4.4
87.00881	4.3
89.02445	18.5
96.95975	2.0
97.02980	2.3
99.90057	1.2
101.02451	14.6
113.02461	8.4
118.24937	1.3
119.03506	4.9
125.02417	6.0
127.86726	1.1
131.03479	1.1
133.02933	2.6
143.03499	1.7
145.02850	1.3
161.02457	6.5
161.04558	5.0
166.76567	1.3
167.10799	2.4
173.86208	1.4
179.05615	3.9
179.14410	2.1
183.13914	7.6
195.13866	9.0
205.12363	8.6
211.13406	100.0
212.13725	7.1
221.06764	1.9
223.13399	84.7
224.13724	4.9
227.03568	1.3
235.08246	4.7
235.52190	1.1
237.04085	2.6
255.03098	1.2
285.04047	4.1
305.08823	1.4
323.10172	1.6
379.12527	5.6
397.13501	42.4
398.13895	3.2
415.14706	8.0
591.26941	6.8
603.26294	9.0
604.16498	1.4
604.26489	2.1
609.27576	9.1
610.28192	2.0
621.27600	12.9
622.28339	2.3
797.40247	4.1
815.40491	2.4
816.41309	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.4645
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	5.0
67.67567	3.6
69.97722	3.2
71.01385	75.7
71.61635	4.7
72.99289	3.5
73.02946	36.6
75.00874	29.5
81.77650	3.3
83.01383	12.4
85.02950	32.5
87.00883	3.5
89.02444	25.6
93.03462	8.5
95.01369	6.2
99.00891	8.2
101.02443	53.3
102.96512	3.0
109.02965	44.8
113.02455	33.4
117.03461	4.2
119.03559	6.6
119.05032	7.0
133.02959	20.9
135.04494	16.3
143.03439	3.7
145.02948	15.1
147.02943	3.1
149.04523	4.9
149.06047	3.0
151.00369	7.6
161.02457	100.0
161.04492	27.1
162.02789	5.9
163.03984	5.4
177.05544	9.6
179.03458	7.1
191.03497	4.6
227.03513	16.2
227.06987	4.9
229.04965	7.3
229.49286	3.5
237.04031	20.3
255.02945	31.7
256.03546	7.2
257.04495	3.5
271.02420	7.6
281.08249	4.0
284.03278	30.8
285.04041	87.8
286.04428	8.5
291.07281	4.1
295.41336	3.6
300.02634	10.7
301.03400	12.3
323.07941	4.1
353.19461	6.6
371.20825	40.1
372.21249	6.9
413.21875	73.1
414.21872	7.8
417.24915	32.4
447.09290	9.0
463.08655	6.2
593.13025	24.2
594.13220	5.8
594.89606	3.3
609.12744	20.5
610.12921	6.0
773.16736	9.4
779.77429	3.5
831.18030	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	875.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
70.07116	0.6
71.01392	1.0
72.99324	0.9
75.00874	1.9
82.49263	0.7
83.01392	1.7
93.03465	28.1
94.03812	1.0
98.20625	2.0
100.76477	0.6
106.04264	1.0
107.01376	0.9
107.05050	1.0
117.03470	1.3
118.99868	5.7
119.05036	12.0
120.72300	0.7
121.02949	1.7
121.06635	1.7
130.04265	1.9
131.05038	13.3
133.06604	8.9
135.04546	1.2
145.02962	6.7
147.04536	21.2
148.04863	0.9
149.06105	6.5
151.00362	3.6
158.03720	2.0
159.04527	11.1
163.04059	0.8
171.10558	0.7
175.04008	2.5
177.05580	100.0
178.05922	5.4
178.99855	2.0
221.04498	1.1
227.03494	0.9
243.02986	2.3
255.02966	6.6
259.91568	0.7
265.03546	11.0
271.02481	13.9
272.02997	1.2
300.02771	33.1
301.03470	11.9
302.03897	1.0
312.78607	0.6
313.13513	0.7
448.93787	0.7
547.78088	0.6
609.14642	56.5
610.14874	7.6
760.32123	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
65.22113	0.7
71.01382	2.6
71.41232	1.5
75.00884	4.5
83.01392	2.6
89.02496	0.9
93.03469	26.3
100.48803	0.7
101.02435	1.0
107.01392	1.4
107.05047	1.4
109.02973	3.5
111.81886	0.7
117.03487	1.4
118.17873	0.7
118.99885	6.7
119.04213	1.4
119.05031	10.0
121.02977	3.0
121.06602	1.4
125.02475	1.1
130.04266	1.7
131.05043	10.7
133.02966	2.0
133.06616	7.6
135.04532	3.5
138.75192	0.7
141.35818	0.8
145.02957	8.6
147.04543	20.6
148.04866	1.4
149.06110	5.9
151.00395	5.1
158.03741	2.4
159.04539	7.9
161.02460	6.5
162.02873	0.8
163.00490	0.8
163.04007	2.2
168.95517	0.7
175.04066	5.4
176.04738	1.7
177.05583	100.0
178.05922	5.2
178.99902	3.0
187.03911	0.9
187.07663	0.8
191.03577	0.8
201.05746	0.8
201.12119	0.8
203.03587	0.8
205.08618	2.2
206.09132	1.0
221.04628	1.0
227.03671	1.3
237.04015	1.9
241.13483	2.8
243.02992	2.8
253.05008	1.6
255.03006	9.5
265.03479	8.9
271.02502	16.0
272.03009	1.6
279.02975	3.0
280.03558	0.9
284.03339	0.9
285.04041	1.3
285.12445	1.6
290.11209	0.8
300.02777	36.7
301.03448	17.0
302.03864	1.2
463.08752	4.3
464.09454	1.0
591.12292	1.7
593.14044	1.1
593.93622	0.8
609.14612	58.5
610.15106	9.1
773.16913	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
69.21812	1.5
71.01380	1.3
71.06869	2.0
71.07217	2.7
75.00861	1.5
83.01393	2.0
93.03468	38.1
95.01373	1.5
97.02939	1.3
105.11161	1.2
107.05025	2.3
108.02135	1.7
109.02960	43.8
110.03270	2.5
117.03524	1.7
118.99867	6.1
119.05048	16.3
121.02960	4.6
125.02455	53.1
130.04236	2.9
131.05034	12.2
133.02953	3.1
133.06621	8.7
134.06947	1.5
135.04532	2.0
137.02448	13.6
139.04018	5.5
145.02942	6.9
147.04533	26.9
148.04964	1.7
149.02455	5.2
149.06082	9.0
151.03998	3.0
158.03731	3.8
159.04538	12.6
161.02469	10.6
163.04051	4.0
165.01923	6.9
167.03552	6.9
175.03975	8.0
175.57005	1.4
177.01974	37.3
177.05576	100.0
178.02379	2.3
178.05925	5.8
179.03488	5.5
191.03534	2.4
193.05089	2.8
203.03558	1.7
211.03893	2.0
215.03407	1.5
217.05130	1.7
219.06578	4.0
221.04555	4.4
227.03520	3.0
229.05064	2.8
237.03915	1.7
243.03026	5.3
255.02968	13.2
256.03653	3.3
257.04654	1.8
261.03918	1.5
261.07629	1.5
265.03598	6.6
273.04132	4.7
283.02490	7.0
284.03152	2.9
285.04175	3.1
288.06152	1.5
297.03992	4.4
303.05099	6.6
305.06683	39.1
306.06903	1.8
355.08389	1.5
423.07199	60.8
424.07233	7.9
441.08243	46.9
442.08856	6.6
483.09198	7.6
593.14282	3.3
609.12494	21.0
610.12878	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	875.168
Annotation	Unknow
Peak:m/z	Relative Intensity
61.00474	0.4
63.02390	1.1
65.00331	0.5
70.63105	1.0
74.47859	0.4
75.00877	17.5
83.01413	0.8
85.02932	0.4
93.03456	1.4
95.01376	0.5
98.20461	0.6
107.01387	2.2
109.02961	1.1
117.03481	1.5
119.05025	0.9
132.02185	1.1
133.02968	22.8
134.03293	0.6
135.00882	0.4
135.03493	0.5
135.04532	8.9
145.02966	4.2
151.00375	3.6
157.06650	0.5
159.04544	1.3
161.02454	100.0
162.02777	4.2
163.00357	1.9
163.04135	0.8
167.82623	0.4
171.04492	0.5
172.16846	0.4
177.05534	0.5
179.03543	5.3
185.06050	1.7
187.04025	2.2
189.05592	0.7
211.04030	0.9
213.05595	1.3
215.03548	0.6
221.04587	0.9
227.03543	9.6
227.07130	2.3
228.03979	0.6
229.05080	4.8
236.54634	0.5
237.04045	18.4
238.04431	1.3
239.03473	1.0
239.07120	1.4
243.03165	0.7
255.03001	16.8
255.10394	0.7
256.03641	2.5
257.04611	4.1
265.05032	0.9
266.05914	0.9
281.08197	1.6
284.03278	21.2
285.04050	53.2
286.04413	3.9
323.07690	3.0
325.07242	1.2
343.04614	0.6
357.09552	0.5
447.09537	2.8
469.11301	1.0
545.13055	0.9
593.13129	20.0
594.13263	3.3
603.10175	0.5
609.12494	14.4
610.12506	2.1
627.36719	0.5
729.19342	0.7
755.16718	0.7
773.16992	2.4
831.18585	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	875.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02398	1.0
64.99344	0.4
65.00327	0.9
70.37664	1.6
75.00452	0.8
75.00880	16.7
80.04260	0.4
83.01388	0.8
93.03473	1.6
95.01456	0.5
99.69159	0.4
107.01404	1.4
109.02983	0.9
115.01871	0.5
117.03482	1.4
119.05037	1.0
132.02176	1.4
133.02968	26.6
134.03464	0.4
135.00862	0.5
135.04535	9.7
136.04915	0.5
145.02986	3.9
149.06126	0.7
151.00388	3.3
159.04474	0.6
161.02457	100.0
162.02821	4.1
163.00378	1.1
163.04004	0.5
169.01463	0.6
175.04025	0.5
177.05574	0.4
179.03526	5.4
185.06078	1.0
187.04013	1.4
189.05496	0.6
190.14471	0.5
193.05106	0.5
195.04745	0.5
203.03476	0.6
211.03979	1.0
213.05595	1.1
221.04550	0.8
227.03523	10.6
229.05063	4.6
237.04050	14.6
238.04417	0.9
239.03513	1.1
239.07120	1.6
240.04294	0.7
241.05038	0.8
255.03024	17.5
256.03656	2.7
257.04581	2.9
265.04990	0.5
271.02475	0.8
281.08273	1.3
284.03284	21.3
285.04056	42.5
286.04346	2.8
300.02737	1.0
301.03482	1.7
323.07730	3.0
325.07111	0.5
447.09238	1.5
463.08923	0.9
490.09021	0.5
545.12909	0.8
593.13080	15.9
594.13367	3.1
609.12543	11.7
610.12970	2.3
732.80560	0.5
755.16309	0.7
773.17059	1.4
831.18042	1.7
832.18201	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
61.85433	0.8
63.02406	2.2
65.00329	2.9
71.61871	1.6
74.41664	0.8
75.00880	4.9
83.01396	2.6
91.01913	0.8
107.01388	8.0
108.02182	3.1
109.02959	92.0
110.03324	1.8
117.03450	7.9
117.21829	0.8
118.99881	3.0
119.05029	6.2
121.02950	4.6
123.04508	0.9
133.02968	1.5
135.00949	1.0
135.04520	1.0
145.02963	33.2
146.03331	1.1
147.04581	1.1
148.01723	1.0
149.02585	0.8
149.06071	2.7
151.00385	25.7
161.02438	7.7
163.00375	3.5
163.03979	2.6
169.01443	1.1
175.04073	1.1
178.99893	11.9
179.65924	0.9
186.97838	0.9
191.03497	2.6
193.05064	9.5
223.07675	1.2
226.02740	1.7
227.03564	4.6
229.05072	1.9
237.04053	3.1
243.03000	10.1
245.04462	1.8
254.02272	2.1
255.02997	29.7
256.03348	2.2
271.02493	55.1
272.02942	5.9
273.03946	1.7
280.75748	0.8
281.03052	3.4
283.02457	3.5
284.03357	3.0
285.04025	3.2
299.01987	1.6
300.02759	100.0
301.03506	74.9
302.03867	5.3
463.08780	18.3
464.09009	2.4
593.14929	3.5
609.12518	43.8
610.12952	9.6
627.55060	0.9
729.18036	2.5
755.16046	5.0
756.16467	1.1
773.17297	21.3
774.17987	4.3
831.17902	19.2
831.33813	1.2
832.18134	5.8
843.46155	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
61.70189	0.4
63.02395	1.4
65.00320	0.9
66.06892	0.5
70.37711	0.9
70.38063	1.3
71.01373	1.6
75.00871	2.4
83.01371	1.3
85.02946	0.8
88.29398	0.5
93.03465	2.7
107.01394	3.0
107.45238	0.6
109.02962	3.2
111.00838	0.8
113.02441	0.8
113.65585	0.5
115.00381	2.7
117.03467	0.7
119.66437	0.5
121.03010	0.8
124.30310	0.5
131.05035	0.5
133.02956	2.0
135.00868	1.0
135.04492	1.0
136.08818	0.5
143.05061	1.1
145.02937	0.9
146.25647	0.5
147.04562	1.0
148.91718	0.5
150.56224	0.5
151.00368	6.4
158.03738	0.7
159.04546	1.7
161.02444	6.1
161.06049	1.2
163.00375	2.3
167.05008	0.8
169.01483	1.4
169.06577	0.8
171.04510	1.2
173.05991	0.5
175.04031	0.8
185.06079	2.2
187.04080	3.6
189.05574	1.0
190.65173	0.5
197.06049	0.8
199.04039	0.7
209.06143	0.6
211.04012	2.1
212.04851	0.5
213.05569	1.8
215.03566	0.7
226.06383	2.3
227.03548	10.3
227.07094	14.0
228.03848	1.1
228.07443	0.9
229.05048	7.8
230.05412	0.8
237.03935	0.9
239.03464	1.7
239.07138	0.8
240.04088	0.6
241.04971	0.9
243.02756	0.6
251.07175	1.3
253.08656	2.3
255.02980	20.5
255.10295	2.2
256.03665	2.7
257.04535	6.4
259.04550	1.2
263.07022	1.1
266.05826	4.4
267.03171	0.9
271.02618	0.7
279.06616	2.2
280.07181	0.6
281.08185	10.5
282.08524	0.9
283.02460	0.6
284.03244	26.3
285.04041	100.0
286.04379	8.6
300.02692	0.9
301.03510	0.8
307.06094	4.5
308.06607	0.9
315.74811	0.5
317.04996	1.0
325.07175	3.0
339.08890	0.6
343.04562	0.8
409.09555	1.0
447.09271	10.4
448.09912	1.3
469.11252	1.6
485.10840	0.8
487.12146	0.7
505.09738	0.6
527.08380	3.5
545.08978	13.0
546.09943	1.5
593.13220	1.0
603.09900	9.4
604.09680	1.5
609.12512	1.2
633.12622	1.0
683.46716	0.7
729.18036	1.1
755.16296	3.2
756.15918	0.9
773.17438	8.5
774.17542	2.3
831.17755	7.9
832.18384	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	873.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
69.57526	1.2
70.74502	3.1
72.99321	3.1
75.00220	1.4
75.00889	16.1
93.03455	6.4
99.00866	2.2
109.02964	1.7
118.99852	6.8
121.02988	2.1
123.04539	3.8
130.71271	1.6
132.02176	4.6
133.02977	2.0
135.04544	3.9
137.02449	1.9
143.05128	1.6
145.03001	3.0
147.04515	1.9
151.04082	1.6
159.04549	3.1
161.02492	3.0
171.04578	2.1
173.02412	1.4
175.04004	3.4
177.05556	1.8
179.05035	2.0
185.02441	3.1
195.04558	1.9
196.05186	2.1
197.06116	2.5
198.03212	3.3
199.03914	3.6
201.01906	3.5
207.04584	2.3
211.03993	6.9
212.04543	1.8
213.01801	1.3
213.05548	3.1
215.03546	1.4
222.03218	3.2
223.04016	16.5
224.04753	2.4
225.05605	3.5
226.02734	2.8
227.03520	4.6
235.04001	6.1
237.05641	2.1
238.02759	2.3
239.03514	9.3
240.04198	1.8
240.70290	1.4
241.05128	7.1
242.05782	1.4
243.03030	2.3
244.36598	1.2
245.04594	2.0
250.02684	1.5
251.03528	9.9
252.04085	2.0
253.05078	6.2
255.03038	8.3
255.06647	2.9
266.02277	4.0
267.03033	16.2
268.03528	2.5
269.04614	7.6
277.04922	1.8
279.03018	12.7
280.03741	6.5
281.04587	2.9
287.07059	2.5
295.02469	3.4
296.03223	1.7
297.04022	5.6
299.07150	5.3
301.05493	1.5
301.08734	2.9
307.02606	1.7
307.06259	2.0
311.01920	2.3
315.06586	10.9
316.07327	5.2
317.04596	2.0
317.08063	3.0
319.06177	1.5
323.01865	2.1
324.02783	4.2
326.05475	1.6
327.06680	7.3
328.07379	5.9
329.08136	6.4
331.06165	4.9
333.04181	2.1
335.05692	2.7
339.06750	1.6
343.06131	16.6
344.06747	7.5
345.04126	1.9
345.07727	14.2
355.06088	2.2
357.07678	3.8
359.05652	2.2
370.04614	1.6
371.05658	10.1
372.06396	11.6
373.07053	8.4
375.04971	2.4
392.05551	3.1
393.06329	1.9
400.05902	48.3
401.06635	93.4
402.07361	9.6
403.04565	5.3
404.05496	2.3
405.06061	3.2
417.06393	2.0
418.06958	5.2
419.07639	11.6
420.08167	2.3
444.04825	4.3
445.05615	11.3
446.05978	2.0
521.07202	17.7
522.07349	1.7
589.11554	5.0
647.45551	1.6
701.16705	2.4
709.17773	100.0
710.17847	22.8
713.17169	4.9
727.18549	10.2
728.19220	2.0
753.16803	30.9
754.17224	6.4
785.20233	2.4
829.18518	14.4
830.18750	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	873.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
68.80251	1.3
70.92635	3.3
70.92985	1.8
72.99307	3.2
75.00879	12.3
93.03475	6.1
96.95998	3.9
99.00912	1.8
108.02199	1.4
109.02957	2.5
117.03416	1.4
118.99861	7.0
119.05035	2.6
123.04520	1.9
130.08093	1.4
132.02205	3.0
136.04036	1.8
138.05696	1.4
145.02965	3.2
147.97398	1.3
152.13240	1.5
159.04520	1.7
161.02492	2.7
163.03967	1.7
173.02455	3.5
174.79578	1.6
175.03951	3.5
177.05533	1.4
179.05019	2.2
183.04520	4.3
185.02377	3.3
195.04517	2.7
196.05382	1.4
197.06134	1.4
198.03069	2.3
199.03923	4.7
201.01923	2.3
207.04456	2.1
211.04114	7.1
212.04578	2.2
213.01782	1.4
213.05574	3.3
223.04021	15.1
224.04742	3.5
225.05469	2.6
226.02742	2.2
227.03442	5.2
229.05066	1.5
235.03940	6.0
236.04623	1.4
237.05458	1.4
238.02756	1.5
239.03438	8.2
240.04134	3.3
241.05132	8.4
242.05710	1.9
243.03027	2.1
250.02684	2.2
251.03531	8.0
252.04243	2.9
253.05042	6.3
254.02255	3.3
254.05661	1.5
255.03015	8.3
255.06593	1.7
256.00327	1.5
263.03464	2.0
264.04089	1.8
265.04898	1.6
266.02310	2.7
267.02982	14.9
268.03476	3.1
269.01138	1.8
269.04538	9.5
273.31195	1.4
277.05157	1.4
279.03021	13.0
280.03671	5.4
281.04544	2.5
283.02481	2.5
287.07150	1.9
288.07663	2.3
293.04480	2.1
295.02402	3.3
296.03061	1.7
297.03976	7.0
299.07162	5.0
300.07755	1.6
303.06671	2.0
305.04282	1.9
311.01840	2.2
315.06628	10.7
316.07275	5.1
317.08173	2.8
323.02185	3.3
324.02707	2.9
327.06589	7.8
328.07297	5.3
329.08121	5.5
329.76514	1.7
331.05850	2.7
335.05621	2.0
343.06180	15.5
344.06805	8.1
345.07703	13.7
346.08026	2.2
355.05920	2.6
356.07034	1.8
357.07642	2.9
371.05545	10.9
372.06244	10.4
373.07123	9.6
374.08072	1.9
375.04987	3.2
387.09003	1.6
392.05148	2.6
393.06216	2.4
399.04861	2.3
400.05862	45.5
401.06644	89.1
402.07477	9.2
403.04422	5.9
404.05203	2.6
405.06149	2.5
413.06659	1.8
418.06979	5.2
419.07629	13.4
444.04907	4.6
445.05441	10.1
481.98190	1.5
521.07318	16.7
522.07532	2.9
589.11450	5.7
701.17548	2.2
709.17761	100.0
710.17981	23.2
711.16010	1.6
713.17303	4.5
727.18921	13.5
728.19617	1.8
753.16864	32.7
754.17090	8.8
785.18823	2.3
829.18146	11.8
830.18402	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	873.174
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46746	9.4
71.01415	1.6
72.99337	4.5
75.00883	14.8
93.03475	5.7
104.03951	1.2
109.02956	2.5
118.99844	6.0
119.05048	1.6
121.02957	2.5
123.04506	3.5
125.02486	2.3
132.02200	3.2
133.02980	1.8
135.04478	2.0
137.02344	1.4
145.02977	5.1
147.04445	1.6
149.02467	1.8
159.04550	4.8
161.02457	1.8
163.04044	1.2
167.04874	2.0
171.04573	2.0
173.02480	2.0
174.03139	1.6
175.04005	2.7
177.05472	2.1
179.05083	1.7
183.04520	3.1
185.02452	4.2
187.04022	1.6
195.04593	1.8
196.05446	1.7
197.06035	2.2
198.03227	2.1
199.03963	4.3
201.02003	2.3
207.04507	2.3
211.04007	6.0
211.51031	1.2
213.05640	2.5
223.04047	16.4
224.04573	4.0
225.05647	2.9
226.02689	2.0
227.03535	4.0
229.04919	1.5
235.04027	10.7
236.04619	1.8
239.03442	10.3
240.04112	3.8
241.05003	8.5
243.02972	1.9
245.04616	1.9
250.02705	3.1
251.03481	8.8
252.04291	2.3
253.05193	7.4
254.02171	2.1
255.02989	9.4
255.06645	1.4
263.03259	1.4
266.02200	3.7
267.02975	16.9
268.03531	2.9
269.04556	7.4
270.05237	1.9
275.07285	1.5
279.02948	13.1
280.03748	5.4
281.04538	4.7
288.07849	2.2
293.04587	2.2
295.02600	4.0
297.03992	8.3
299.07120	5.9
301.08557	2.0
303.06610	1.8
311.02036	1.9
311.07202	1.6
314.05951	2.7
315.06604	10.6
316.07101	6.9
317.08301	2.1
323.01852	2.4
324.02716	3.9
327.06570	6.4
328.07333	5.7
329.08176	4.6
331.05933	2.7
333.04004	1.8
335.05789	3.8
343.06088	17.3
344.06686	10.4
345.07605	14.2
346.08258	2.4
347.05682	1.8
354.05374	1.9
355.06055	2.0
356.06729	3.1
357.07626	3.5
370.04700	1.9
371.05637	13.2
372.06345	10.6
373.07083	11.7
375.04990	2.5
392.05396	3.5
393.05930	2.6
400.05859	41.1
401.06628	97.7
402.07443	11.2
403.04593	5.9
404.05301	3.9
405.06204	3.1
413.06540	2.0
418.06894	6.7
419.07758	15.9
439.07858	1.3
443.08527	1.3
444.04938	5.6
445.05869	9.6
521.07397	18.6
589.11725	3.2
590.11176	2.2
701.17169	3.0
709.17786	100.0
710.18127	24.9
711.15527	2.3
713.17145	4.8
727.19006	11.5
728.19501	3.0
753.16803	35.0
754.17004	7.1
785.18866	3.5
829.18390	18.0
830.18652	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	873.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	8.7
71.61827	6.3
72.99310	6.2
73.30490	2.5
75.00893	20.5
88.49584	3.1
89.02455	3.2
93.03468	8.5
101.02454	4.0
109.02961	6.2
113.02488	3.9
114.05734	3.0
114.81655	2.9
118.99895	9.2
119.05033	5.9
121.02932	3.8
123.04546	3.7
125.02439	5.2
133.01390	3.3
133.02975	4.0
135.04507	3.5
145.02966	8.0
147.04564	5.9
149.02458	9.1
158.78200	3.4
159.04532	6.7
161.02422	7.1
163.04044	5.1
175.03989	8.6
177.05577	4.8
185.02432	13.5
187.04074	3.6
196.05083	4.6
198.03215	3.6
199.03966	5.6
201.01976	6.5
211.04062	9.2
222.03258	4.0
223.03960	13.8
224.04616	3.7
225.05521	4.4
227.03510	7.8
229.04913	4.1
235.03986	5.7
239.03490	9.5
241.05070	11.9
243.02872	3.3
243.06691	3.5
250.02579	5.8
251.03441	8.8
252.04390	4.4
253.05153	14.5
255.03036	12.2
255.06642	3.7
264.04172	3.4
266.02106	3.3
266.05801	3.7
267.03073	17.7
269.04550	8.3
279.02963	22.0
279.05908	4.7
280.03738	9.4
281.04514	5.7
283.02606	3.7
293.04422	5.1
297.03894	5.4
303.06741	4.3
305.04544	3.8
311.07220	4.1
315.06509	9.5
316.07321	7.3
319.06146	3.5
323.02240	3.3
324.02722	4.9
327.06204	3.7
328.07571	3.7
331.06204	4.2
335.05539	11.0
343.06091	21.5
344.06827	12.1
345.07675	12.5
357.07516	5.2
371.05640	11.9
372.06378	14.4
373.07013	13.2
381.06845	8.5
387.20282	6.2
400.05896	53.1
401.06613	83.7
402.07236	6.5
403.03992	4.8
403.08713	5.5
409.73459	3.2
411.07596	5.1
413.06656	9.0
418.07162	9.9
419.07547	12.9
444.04996	5.7
445.05698	11.3
447.22318	23.5
467.07629	5.6
521.07251	24.7
522.07629	5.0
589.11273	24.7
590.11951	5.7
649.05548	3.3
665.12537	5.5
701.16925	3.8
709.17743	100.0
710.18561	28.9
713.16882	8.3
727.18817	12.0
753.16791	49.7
754.17407	11.3
829.18262	13.9
830.18506	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	871.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
60.53177	1.6
64.01451	2.0
71.01384	40.3
71.61735	2.1
72.99301	2.8
73.02946	40.3
73.74597	1.6
75.00876	10.4
75.07489	1.6
83.01392	11.3
85.02960	8.8
87.00916	1.6
89.02468	4.4
93.03477	2.8
95.55739	1.8
96.96008	8.2
97.02978	1.9
99.00884	2.3
101.02443	28.3
103.97789	1.5
108.02196	8.4
108.79439	1.7
109.02968	20.6
113.02475	8.6
115.05521	2.4
117.03479	8.2
118.99873	2.7
119.03534	1.7
119.05042	6.5
121.02976	9.4
125.02463	5.5
131.05078	10.4
133.06580	10.0
134.03719	2.7
135.04520	37.3
143.03490	7.2
145.02963	26.5
146.03394	1.9
147.04532	56.4
148.03928	1.8
150.05579	2.3
155.03517	3.2
161.02441	2.8
161.04585	6.1
161.06081	20.8
163.04019	23.6
167.03485	1.6
173.02405	3.9
173.06024	3.8
175.48691	1.9
177.05576	7.1
189.05574	30.2
190.07417	2.3
190.91411	1.7
191.03503	100.0
192.04218	16.8
203.05632	5.9
205.08693	2.0
221.04521	6.1
285.04364	2.2
289.10822	15.9
290.11194	2.0
299.13858	2.3
307.11859	20.7
308.12216	3.2
312.13608	2.5
333.09943	2.5
362.18582	2.3
370.17755	2.7
381.18094	19.2
382.18811	3.2
389.21799	6.3
395.09857	3.6
431.22855	34.2
432.23117	4.0
442.19638	2.9
605.25897	4.5
615.37189	2.2
662.84705	2.2
827.30798	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	865.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
60.63503	0.6
62.04709	0.5
65.00321	0.8
71.01371	1.8
72.27769	0.5
73.02946	0.9
83.01392	1.2
86.50265	0.5
89.32657	0.5
96.96007	0.7
101.02440	1.7
107.01385	2.3
108.02213	1.1
109.02944	2.2
113.02476	0.8
121.02984	2.6
125.02497	0.8
128.91599	0.5
145.02940	0.9
146.92122	0.5
148.01707	0.8
148.79176	0.5
149.02415	0.5
151.00368	10.2
151.31033	0.5
152.00639	0.5
161.02420	1.2
163.00328	1.8
168.03011	0.7
173.05931	0.5
178.99898	5.9
183.04517	0.7
187.03935	0.9
211.03960	1.4
227.03477	1.8
229.04909	0.9
243.02986	5.3
245.04451	1.4
254.02304	1.4
255.03000	15.8
256.03421	1.3
257.04788	0.6
271.02487	27.4
272.02927	3.5
273.03760	0.6
283.02481	1.7
290.81589	0.5
300.02756	59.3
301.03485	45.7
301.08499	0.8
302.03860	4.7
417.21176	1.2
447.09351	100.0
448.09674	16.0
449.09918	1.7
533.22748	0.7
574.29901	0.6
612.66541	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5019
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	4.1
69.03466	1.5
71.01388	16.2
71.61059	0.9
72.99318	1.2
73.02952	2.3
78.30078	0.7
80.02697	1.5
81.03458	2.1
83.01407	1.9
83.05033	5.5
84.02161	0.7
85.02959	3.5
87.00883	4.9
89.02455	14.0
95.01398	0.8
95.05037	1.2
97.02956	2.4
99.92583	1.4
101.02451	11.2
102.02763	0.7
113.02464	6.1
115.92085	1.2
116.92862	1.5
119.03494	3.8
125.02471	5.5
135.08220	1.2
139.03967	0.9
143.03522	2.2
145.14282	0.7
147.11786	0.7
161.04572	4.1
163.11292	4.0
165.12859	2.7
179.05617	2.8
191.10867	0.6
197.11897	1.1
199.13422	1.0
207.10193	1.1
209.11838	100.0
210.12184	7.0
217.07262	0.8
221.06744	1.4
227.12906	14.6
235.08229	5.0
245.06641	0.7
253.09261	1.4
255.23305	48.1
256.23590	4.2
262.47455	0.8
269.24820	0.9
287.07742	1.4
291.19769	0.7
305.08725	1.9
309.20786	1.2
323.09875	0.8
361.11575	1.0
379.12427	8.5
380.12518	0.9
397.13538	37.6
398.13986	3.0
415.14609	6.6
653.37347	1.3
696.22906	0.7
863.49988	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	862.5328
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
70.02917	0.7
93.34618	0.2
151.10898	0.2
158.83095	0.2
160.22824	0.2
254.33002	0.2
300.37619	0.2
372.44360	0.2
752.70868	0.2
754.88995	0.2
850.96271	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5015
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	0.6
66.08965	0.3
69.03452	0.8
69.55668	0.6
69.56073	1.5
71.01387	13.7
71.05036	0.4
72.04259	0.3
72.99304	0.9
73.02959	2.0
75.00864	0.5
80.02694	1.1
80.03855	0.3
81.03468	2.3
83.01404	1.4
83.05031	5.4
84.02174	0.7
85.02959	2.8
87.00888	3.1
89.02455	10.6
91.04018	0.4
95.01398	1.0
95.05023	0.9
97.02951	2.1
99.00870	0.5
101.02448	10.0
111.00885	0.3
111.04552	0.6
113.02447	6.2
119.03506	3.0
125.02465	4.6
125.06146	0.6
125.09743	0.4
131.03505	0.5
135.08148	0.9
139.03989	0.8
141.02010	0.4
143.03517	2.4
149.04518	0.4
161.04590	3.4
163.11285	3.8
165.12851	2.4
167.03487	0.3
179.05638	3.9
181.12395	0.3
185.04620	0.4
191.10757	0.9
199.24666	0.3
209.11836	100.0
210.12166	6.3
214.06625	0.3
217.07161	0.9
221.06587	1.4
227.12897	10.7
228.13220	0.8
235.08234	4.6
244.03755	0.4
245.06467	0.4
251.12947	0.6
253.09288	1.1
255.23312	42.4
256.23645	3.4
259.08191	0.6
287.07730	1.6
305.08890	2.0
323.09866	1.0
379.12463	7.6
380.12787	0.5
397.13519	30.0
398.13892	3.2
415.14600	7.1
416.14816	0.4
506.93103	0.3
589.25085	1.0
607.26184	1.3
608.26434	0.4
635.36835	0.4
653.37360	0.6
674.30701	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4858
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01740	0.5
61.98838	0.7
68.99824	0.5
69.03463	1.8
70.37233	1.9
71.01389	24.2
72.99320	1.6
73.02954	2.8
75.00854	0.6
80.02694	1.1
81.03478	3.4
83.01388	2.9
83.05035	3.5
85.02969	5.9
87.00882	5.3
89.02450	19.5
90.02813	0.6
91.98682	0.5
93.03473	0.8
95.01403	1.6
95.05032	1.0
97.02959	10.6
99.00892	2.7
101.02452	15.1
103.34248	0.5
106.04224	0.8
107.05072	1.1
109.06602	31.9
110.03738	1.4
110.06955	1.1
111.00917	0.8
111.04549	0.8
113.02466	8.8
119.03510	3.9
121.06596	2.1
123.04554	0.6
125.02460	6.8
125.09781	0.8
127.91708	0.5
131.03529	1.2
135.08176	4.7
136.05295	1.4
139.04007	0.7
141.01904	1.3
142.02742	2.6
143.03505	2.3
145.10240	0.7
161.04544	4.0
161.09760	2.8
163.11295	21.7
164.11621	1.4
167.03481	0.6
174.79842	0.5
179.05623	4.8
179.10826	1.2
181.12364	5.1
181.35670	0.5
181.88881	0.4
183.88708	0.5
189.09215	1.8
192.06503	0.5
207.10274	100.0
208.10587	5.8
209.11925	3.8
217.07259	0.6
221.06657	4.1
225.11331	44.0
226.11757	3.3
235.08247	6.0
243.12447	2.3
253.09256	1.2
255.23308	55.0
256.23660	3.7
263.07797	0.8
281.13864	0.9
287.07709	1.4
299.14990	1.6
305.08807	1.5
323.09857	0.9
379.12445	6.7
397.13504	37.7
398.13889	3.0
415.14590	11.4
416.14908	0.9
419.35388	0.9
461.20499	0.6
530.82935	0.6
587.23633	1.6
605.24414	5.5
606.24866	1.2
623.25574	7.1
624.25836	1.5
647.39728	0.5
653.37427	0.9
843.47278	1.5
861.48566	47.2
862.48956	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	859.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	3.5
67.89288	0.5
69.03443	3.2
70.59447	1.2
70.59817	0.9
71.00989	1.0
71.01385	18.8
71.05034	0.8
72.99311	1.8
73.02945	3.2
81.03446	0.7
83.01382	2.1
83.05034	0.6
85.02953	5.5
87.00878	4.6
89.01909	1.0
89.02448	16.4
95.01378	0.9
96.56515	0.4
97.02951	2.9
99.00896	1.0
101.02448	14.0
111.04584	0.5
113.02448	8.0
115.04005	0.6
119.03513	4.3
119.27743	0.5
121.02903	0.6
125.02466	5.8
131.03494	0.9
141.01917	0.6
143.03471	3.4
149.09744	0.7
161.04541	4.0
161.13329	0.5
166.01244	0.4
167.03484	1.1
167.10779	2.9
179.05611	7.0
179.10822	1.6
179.14439	3.7
195.13910	10.3
196.14200	0.5
199.06184	0.8
205.12321	10.7
206.12704	0.7
207.94656	0.6
221.06651	1.6
223.13391	100.0
224.13785	6.8
235.08255	5.6
253.09308	0.7
255.23296	53.9
256.23605	4.4
259.08130	0.6
287.07883	1.5
305.08786	2.0
323.09909	1.3
379.12418	9.3
380.12894	0.6
397.13504	38.6
398.13892	3.7
415.14444	8.4
416.14966	1.2
565.35785	0.6
603.26520	9.5
604.27039	1.5
621.27570	10.6
622.28033	1.2
635.36237	1.1
653.37323	1.8
859.50519	2.2
860.50916	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	860.5166
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
64.75251	0.2
71.40654	0.4
72.81845	0.3
81.09692	0.3
81.71882	0.3
92.93966	0.2
99.00609	0.2
113.50397	0.3
228.44658	0.3
288.25497	0.3
295.97290	0.3
345.62711	0.3
385.97305	0.3
492.23715	0.3
614.95435	0.4
625.68481	0.4
824.72290	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01703	7.5
69.03451	2.5
71.00993	4.2
71.01389	80.7
71.61923	3.1
72.99294	2.7
73.02957	25.9
75.00867	3.9
83.01394	9.1
83.66737	2.2
85.02958	31.7
87.00863	3.9
89.02448	21.2
95.01386	8.3
99.00871	12.6
101.02451	54.5
102.02796	2.2
110.78658	2.3
113.02448	34.8
119.03499	6.6
125.02460	3.3
131.03476	2.7
139.04051	3.6
143.03485	5.0
159.02959	5.2
161.04561	31.4
167.86084	2.3
177.05441	2.8
179.14380	4.1
195.13838	6.3
205.12303	6.3
223.13394	98.2
224.13770	3.6
253.09274	15.2
315.18124	100.0
316.18475	6.1
357.19193	40.0
358.19339	6.0
435.63730	2.2
447.54227	2.3
459.22372	23.2
460.22916	4.4
487.72876	2.7
541.08337	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	859.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
64.32397	0.2
69.56507	1.6
69.56905	0.6
71.01389	0.9
75.00871	1.1
79.49887	0.3
79.99590	0.2
83.01405	0.7
88.74297	0.2
93.03465	23.1
94.03809	1.0
106.04262	0.4
107.05034	1.2
108.02174	0.3
117.03490	1.0
118.99866	3.2
119.05034	10.1
120.05344	0.4
121.02962	1.4
121.06591	1.1
123.04543	0.3
130.04280	1.7
131.05042	9.1
133.06604	7.1
134.03769	0.3
134.06917	0.5
135.04541	0.7
145.02969	4.8
147.04533	17.1
148.04843	0.5
149.06100	5.9
158.03741	1.8
159.04535	7.7
160.04869	0.4
163.04036	1.3
175.04022	2.0
176.04649	0.3
177.05580	100.0
178.05925	6.0
189.21449	0.3
221.04597	1.1
227.03535	0.7
255.02983	1.4
257.04529	0.3
265.03552	8.5
266.03943	0.6
284.03189	1.5
285.04047	2.1
593.15265	4.0
594.15692	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
61.37646	0.2
66.64659	0.2
71.01385	0.9
71.61478	0.4
72.99340	0.4
75.00870	1.6
76.91534	0.2
81.98196	0.2
83.01388	1.1
86.59734	0.2
93.03465	25.5
94.03818	0.8
103.05513	0.2
107.05035	1.0
109.13114	0.2
117.03464	1.0
118.99866	3.6
119.05032	10.5
119.05893	0.5
120.05389	0.5
121.02978	1.3
121.06609	0.9
130.04282	2.0
131.05043	8.1
132.05797	0.6
133.02956	0.3
133.06609	6.9
133.07629	0.4
134.06938	0.6
135.04555	1.1
137.02434	0.6
145.02965	5.3
146.03313	0.2
147.04533	16.5
148.04887	0.5
149.06090	5.9
157.05728	0.2
158.03748	2.4
159.04533	7.2
160.04874	0.4
161.02548	0.4
163.04007	1.7
175.04031	2.7
177.05580	100.0
178.05919	6.5
179.85753	0.3
201.65309	0.2
205.08575	0.3
221.04597	1.0
225.26273	0.2
226.11096	0.3
227.03537	0.7
241.13467	0.9
255.03003	1.2
265.03546	7.7
266.03940	0.8
266.38522	0.2
267.42340	0.3
284.03284	1.7
285.03934	1.0
285.12418	0.3
289.10834	0.3
376.12769	0.2
438.25986	0.2
463.09229	0.2
490.93732	0.2
593.15076	2.7
593.23627	0.3
594.15118	0.6
843.82874	0.2
893.65527	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.75211	0.3
66.17888	0.2
69.45895	0.6
69.46295	1.7
70.40533	0.2
71.01397	0.7
72.91228	0.2
72.99313	0.4
75.00876	1.2
79.34919	0.2
83.01391	1.1
90.83280	0.2
91.05479	0.3
93.03463	24.6
94.03807	0.7
106.04266	0.4
107.05040	0.9
107.54118	0.2
109.10282	0.2
117.03472	1.9
118.99875	4.3
119.05036	10.9
120.05426	0.3
121.02975	1.0
121.06583	1.2
130.04276	1.5
131.05040	9.7
132.05476	0.3
133.05652	0.5
133.06604	6.7
134.06960	0.3
135.04530	1.0
137.09323	0.2
145.02971	7.9
146.03255	0.6
147.04535	17.3
148.04878	1.1
149.06099	5.2
149.94864	0.3
150.06438	0.5
151.00462	0.4
156.83865	0.2
157.33054	0.3
158.03775	2.0
158.88490	0.2
159.04520	7.5
161.02513	0.6
163.04012	1.5
165.67166	0.3
167.05782	0.2
175.04004	2.7
177.05577	100.0
178.05910	4.8
191.03560	0.4
211.03947	0.3
211.07623	0.5
221.04608	0.9
227.03569	1.8
229.05077	0.7
255.02968	2.9
256.03595	0.5
257.04556	0.7
265.03522	7.5
266.04007	0.5
284.03302	3.7
285.04062	7.3
286.04517	0.4
307.08231	0.3
358.27234	0.3
386.84683	0.3
429.86777	0.3
447.09030	0.4
490.54416	0.3
586.72882	0.4
593.13104	6.1
594.13177	1.4
663.56781	0.3
757.18262	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01208	0.4
63.02393	0.7
65.00319	0.7
66.09053	0.4
69.27662	3.2
69.28075	0.6
74.15804	0.4
75.00887	2.4
80.69809	0.4
83.01408	0.6
91.01948	0.4
93.03461	2.9
96.25920	0.4
107.01376	2.2
109.02975	1.4
113.02428	0.4
115.00375	1.1
117.03468	1.5
119.05039	1.5
125.02501	0.4
131.04979	0.5
133.02957	0.5
135.00870	1.3
137.02368	0.4
143.05067	2.0
145.02957	4.1
145.06636	0.5
149.06140	1.7
151.00400	3.3
154.04247	0.4
157.06577	0.6
158.03716	0.6
159.04507	1.5
161.02467	0.5
163.00377	2.9
163.04036	0.8
167.05011	0.4
169.01450	0.7
169.06525	0.7
171.04526	1.2
175.04080	0.4
183.04486	0.6
185.06091	2.6
187.03987	2.5
189.05539	1.6
195.04539	0.6
196.05255	0.5
197.06116	0.7
199.03998	0.9
201.05560	0.6
210.06827	1.3
211.04208	1.9
211.07664	10.7
212.07904	0.5
213.05595	2.4
223.07661	1.0
227.03505	10.4
228.03891	0.7
229.05077	10.8
230.05367	1.0
233.83519	0.4
235.07562	0.7
237.09201	1.3
239.03613	1.8
240.04297	0.9
241.04977	1.8
250.06374	0.5
255.02989	16.7
255.05730	0.8
256.03638	3.5
257.04568	6.8
265.08725	2.9
267.02908	1.0
283.02505	0.7
284.03262	23.6
285.04047	100.0
286.04401	8.2
291.06583	1.2
309.07800	2.0
323.09274	0.4
327.05240	0.7
327.08835	1.3
343.04636	1.0
447.09265	7.8
448.09915	1.1
453.12408	0.5
471.12866	1.0
527.08466	1.4
529.13556	1.3
545.09344	3.1
593.13141	6.1
594.13098	0.9
603.09509	0.6
713.18896	3.9
714.19232	0.8
739.16809	2.2
740.17212	1.4
757.17761	13.8
758.18219	4.5
815.18341	4.1
816.18677	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.173
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02404	0.9
63.28963	0.8
65.00317	1.2
69.35709	3.5
69.36136	3.7
75.00883	4.8
75.48798	0.9
93.03468	2.8
101.82236	0.8
107.01403	3.4
109.02962	1.6
117.03474	11.4
119.05033	14.3
122.07599	0.9
125.14643	0.9
145.02965	38.5
146.03340	2.0
151.00409	4.3
159.04533	1.7
161.06131	0.9
163.00385	2.3
163.04027	4.3
169.06493	1.0
185.06024	2.1
187.03978	3.1
189.05656	1.2
193.41719	0.8
197.06058	1.1
205.05083	1.1
211.03964	2.5
211.07634	1.0
213.05627	2.2
221.04608	4.3
223.07683	1.4
227.03502	19.0
228.03871	1.1
229.05064	11.9
239.03305	0.9
241.05042	1.6
255.03020	32.7
256.03583	5.2
257.04553	7.0
263.05597	1.0
267.02936	1.3
284.03268	41.0
285.04044	100.0
286.04382	9.3
307.08179	2.9
309.07599	2.3
343.04602	2.0
447.09476	2.5
469.10776	0.9
501.12146	1.1
516.16260	0.9
529.14758	0.9
593.13055	58.8
594.13330	10.3
713.19373	1.2
739.16705	1.2
757.17731	9.1
758.18567	3.4
815.18060	4.7
816.18243	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
61.65824	0.5
63.02400	0.7
65.00327	0.6
67.15927	0.5
69.59116	3.0
75.00880	3.5
79.65497	0.5
83.01414	0.8
87.24836	0.5
93.03464	3.6
107.01416	2.4
109.02956	1.3
117.03474	0.9
119.05007	0.6
121.87891	0.5
124.75782	0.4
127.47607	0.5
131.05023	0.5
135.00862	0.9
143.05025	1.8
145.02950	1.9
148.31607	0.4
150.00522	0.5
151.00381	2.6
153.01891	0.9
154.04221	0.6
157.06567	0.9
159.04494	1.7
162.64571	0.6
163.00352	2.4
164.01196	0.5
167.05009	0.6
167.17815	0.4
169.06546	0.8
171.04527	1.1
185.06068	2.4
186.78934	0.5
187.04001	3.5
189.05551	1.4
195.04474	1.0
197.05994	0.9
199.03947	0.9
201.05533	0.9
210.06874	1.9
211.04030	2.3
211.07655	23.7
212.07997	1.9
213.05562	2.0
227.03505	9.8
229.05086	11.9
230.05357	0.7
237.09163	0.8
239.03471	1.5
240.04272	0.7
241.05086	1.6
249.51730	0.5
255.03008	17.9
256.03546	3.0
257.04547	6.7
258.04861	0.6
265.08713	1.9
267.02927	0.7
282.28976	0.5
282.97751	0.5
283.02640	1.0
284.03268	25.1
285.04053	100.0
286.04407	9.1
291.06635	0.9
309.07837	1.5
327.08795	1.1
343.04477	1.2
373.12936	0.5
431.22662	1.2
434.02643	0.5
447.03183	0.9
447.09338	17.6
448.09729	2.8
471.12982	1.4
483.09143	0.5
505.09668	0.9
527.08362	2.3
529.13947	1.1
545.09436	2.1
575.37189	0.6
593.13074	1.9
651.42816	0.5
713.18726	2.7
714.19397	0.6
739.16077	2.6
740.17218	0.8
757.17822	9.3
758.17578	2.5
815.18573	4.7
816.18848	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02395	1.1
69.46344	7.6
75.00890	4.3
76.18661	0.9
93.03445	3.1
98.19850	2.2
106.01135	0.9
107.01399	2.9
109.02965	1.0
117.03468	10.0
119.05046	8.8
135.00854	1.3
143.04979	1.8
145.02965	40.1
146.03253	2.1
151.00395	6.0
163.00339	2.1
163.04005	3.9
169.06627	0.9
183.04462	1.3
185.06081	2.8
187.04007	2.3
189.05603	1.3
211.04074	2.1
213.05478	1.2
221.04599	4.5
223.07652	3.5
227.03517	23.1
228.03809	1.6
229.05049	11.2
239.03418	1.1
241.05057	1.2
255.03000	37.9
256.03705	6.1
257.04547	6.8
284.03287	48.6
285.04050	100.0
286.04422	8.4
290.17938	1.0
307.08328	2.2
309.07602	1.6
343.04205	1.7
447.09430	2.0
469.10992	1.3
593.13055	62.8
594.13403	9.2
739.16815	2.2
757.17712	8.2
758.18329	2.1
815.18414	7.9
816.18707	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01699	4.9
61.98837	14.2
69.03456	3.6
71.01387	86.1
71.61542	4.8
72.99313	3.3
73.02953	35.9
74.49398	2.8
75.00862	5.6
83.01394	13.6
85.02946	18.9
87.00881	4.8
89.02449	47.0
95.01408	5.6
99.00900	4.5
100.00443	3.3
101.02445	59.7
109.02956	4.2
113.02444	33.2
117.03421	4.4
119.03535	22.6
119.05022	26.9
122.78463	3.3
125.02476	4.8
131.03514	4.5
135.04550	6.9
142.06609	7.0
143.03510	10.9
145.02972	25.0
147.04507	5.7
149.04596	5.5
157.07733	4.9
161.02446	3.6
161.04555	15.1
163.03976	9.4
179.05580	6.8
186.05544	3.5
191.03558	8.8
221.06650	4.4
229.06218	22.0
255.19673	26.9
255.77739	3.7
289.10916	4.0
305.12921	3.7
321.20697	4.9
349.11819	38.2
350.12326	4.3
380.61139	3.8
392.08508	3.5
399.23898	66.9
400.24158	9.8
417.24921	100.0
418.25253	15.7
459.26050	99.8
460.26352	18.8
562.89307	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	859.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
61.79673	0.3
69.77056	2.0
69.98579	0.3
71.01387	1.0
72.99322	0.7
75.00858	0.7
83.01389	1.7
87.95512	0.4
91.05556	0.4
93.03464	27.8
94.03793	0.8
95.01390	0.3
96.56985	0.4
97.02981	0.4
103.57895	0.3
106.04259	0.3
107.05042	1.3
109.02981	1.9
111.04536	0.7
117.03469	1.6
118.99878	4.0
119.05034	12.3
120.05379	0.6
120.14317	0.3
121.02953	2.1
121.06605	1.4
123.00905	0.8
123.04478	0.3
124.01699	0.4
125.02452	14.0
126.02804	0.3
130.04271	2.0
131.05048	11.3
132.05794	0.5
133.02957	0.8
133.06596	8.5
134.06956	0.5
135.04532	1.1
137.02452	4.7
139.04018	1.3
145.02969	4.8
147.04530	21.1
148.04880	1.1
149.02542	0.4
149.06096	8.3
151.04057	0.8
158.03754	2.8
159.04527	7.8
160.04828	0.6
161.02449	3.2
162.03250	0.3
163.04024	1.9
164.01118	0.6
165.01956	1.8
167.03526	1.8
175.04041	3.2
176.04832	0.4
177.02116	1.8
177.05577	100.0
178.05901	4.7
179.03514	1.6
180.74312	0.3
182.23373	0.3
187.04036	0.5
201.05571	0.4
203.03604	0.4
204.04257	0.4
205.01476	0.3
219.06668	1.3
221.04538	1.6
239.42844	0.3
243.02963	1.1
245.04536	1.2
255.02892	1.8
256.03766	0.7
257.04553	0.5
261.07712	0.6
265.03534	9.3
266.03729	0.7
269.04550	0.5
273.03922	0.4
283.02505	1.5
285.03979	0.5
287.05643	1.7
297.04099	1.1
299.05853	0.4
305.06683	10.9
306.07059	1.2
324.39532	0.3
337.31888	0.4
343.05344	0.4
394.73648	0.3
423.07269	12.6
424.07553	1.1
425.08734	1.2
441.08307	5.9
442.08740	0.8
467.09769	3.4
468.10025	0.6
512.98041	0.4
575.12305	0.8
593.13031	7.9
593.21863	0.6
594.04932	0.5
594.12708	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01715	7.2
69.41756	1.5
69.91087	2.8
69.91491	3.7
71.01386	64.2
72.00903	4.3
72.99324	3.1
73.02953	27.7
75.00875	3.6
83.01387	10.6
85.02972	21.1
87.00893	4.3
87.04530	3.2
89.02449	24.3
95.01387	3.2
97.02972	2.6
99.00862	4.3
100.00435	10.0
101.02451	43.5
101.06104	5.3
113.02451	24.7
116.05077	3.6
117.03469	6.9
119.03549	8.7
119.05022	38.4
125.02492	3.5
127.89189	1.4
130.06654	2.8
140.85110	1.7
142.06642	17.7
143.03510	7.6
145.02956	33.8
145.75819	1.5
146.03302	3.3
159.03036	3.1
161.04573	11.9
179.05507	2.2
186.05618	9.6
203.08284	1.9
205.75545	1.5
221.04640	2.7
223.68082	1.8
229.06180	33.6
230.06577	4.0
255.19716	10.3
256.19971	2.1
349.11914	32.3
350.12256	4.7
351.21747	2.3
381.22803	6.1
399.23886	100.0
400.24399	14.4
407.41107	1.8
417.24954	58.2
418.25519	8.2
459.26059	74.7
460.26260	12.8
553.73566	1.8
581.47614	2.0
787.41479	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	853.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
70.94035	0.5
71.01385	1.0
72.65751	0.3
72.99313	14.5
73.02914	0.4
73.99638	0.3
75.94575	0.3
83.01363	0.4
85.02956	3.3
87.00868	0.8
95.01301	0.3
95.05022	0.9
104.05075	0.5
108.04568	0.6
109.02937	0.6
110.06116	1.9
113.02428	0.9
115.00362	0.5
120.04550	0.6
120.72501	0.3
121.05393	0.3
122.05296	0.6
122.06127	7.8
123.06432	0.3
127.03992	0.8
132.04561	20.9
132.93674	0.4
133.05363	9.0
134.06166	2.3
135.04463	0.3
136.04051	0.6
138.05623	1.6
145.05180	0.3
148.04057	0.8
157.01357	0.6
162.05603	0.4
165.04326	11.5
166.04939	1.4
176.03557	2.0
177.01973	0.5
177.04280	2.6
177.05586	0.5
178.05013	0.5
186.09308	0.7
187.05127	0.4
199.02464	0.6
200.07208	0.4
201.10320	3.9
209.03287	5.6
210.09164	0.4
212.10835	4.8
213.10391	1.9
216.77487	0.3
217.03598	0.9
221.96893	0.4
227.08185	0.4
228.10214	0.4
229.09860	1.2
238.08612	0.4
240.09137	0.5
241.09767	0.5
243.11397	10.6
244.11774	1.2
255.11400	19.6
256.11664	1.4
287.10385	11.4
288.10739	1.2
299.10373	8.7
300.10712	0.8
315.09842	0.7
317.11472	5.2
318.11804	0.8
343.09381	3.3
345.08261	0.6
361.10419	100.0
362.10706	11.0
447.22415	0.7
793.20056	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.314
Annotation	Unknow
Peak:m/z	Relative Intensity
64.74654	1.3
68.15177	1.5
69.46487	3.1
69.46890	10.0
71.01383	8.5
72.99319	16.7
73.02947	5.8
75.00880	17.4
75.22123	1.5
83.01396	2.2
89.02496	2.0
97.06544	1.7
101.02450	4.9
107.05008	2.0
108.02207	7.7
109.02959	6.8
113.02435	3.4
117.03458	3.1
118.99873	63.4
119.05039	4.1
121.02973	11.9
122.03753	12.3
124.01655	2.2
129.03427	2.0
134.03766	2.4
135.03596	2.8
135.04543	30.0
136.01651	6.9
145.02974	9.5
146.03806	3.1
147.04521	18.7
148.05290	7.7
153.24731	1.5
161.02461	2.3
161.06042	2.6
162.03110	1.7
163.04001	24.4
173.02441	5.2
174.03209	4.7
177.07634	2.3
177.09218	43.3
178.09541	2.1
189.05460	1.6
191.03511	100.0
192.04254	16.6
200.04851	1.7
201.09184	2.6
203.10884	1.8
205.08704	43.5
206.09052	2.6
206.90808	1.7
217.12404	8.3
229.08684	12.1
243.10226	1.7
245.11725	1.7
257.08197	34.4
258.08536	2.7
261.11136	2.8
271.09805	2.4
275.09192	3.9
289.07617	3.3
289.10834	63.6
290.11166	6.1
307.11768	5.2
333.09860	23.7
368.85992	1.6
377.08789	4.1
431.22742	2.1
432.23209	2.9
433.23752	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	853.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	10.2
71.61555	1.5
72.99308	15.5
73.02953	5.6
75.00873	14.6
83.01405	3.4
85.02922	1.7
93.03500	2.4
100.28857	1.5
101.02456	4.2
108.02195	7.4
109.02964	4.0
113.02481	3.4
118.99867	58.1
119.05042	6.0
120.00153	1.5
121.02966	11.2
122.03736	9.6
124.01743	1.6
129.79033	1.4
131.05067	1.6
133.06641	1.8
134.03902	1.9
135.04523	25.0
136.01688	7.5
145.02924	6.8
146.03690	5.4
147.04529	20.9
148.05301	7.1
150.03244	1.8
151.04022	2.2
161.02403	2.2
161.06102	2.9
162.06877	2.8
163.04022	26.5
168.07446	2.0
173.02480	4.6
174.03169	3.5
175.03914	1.7
177.09206	46.8
178.09589	3.7
189.05574	3.5
191.03500	100.0
192.04117	13.4
201.09209	3.1
203.10759	2.7
205.08696	39.6
206.09027	2.1
217.12349	8.6
229.08780	9.2
239.93340	1.6
245.11974	3.0
257.08197	37.7
258.08667	2.2
261.11389	1.6
271.09933	2.7
275.09219	4.1
289.10825	58.1
290.11151	5.6
307.11789	3.9
333.09778	25.0
334.10080	2.9
354.53836	1.4
362.18909	1.5
377.08734	4.4
431.22821	3.1
432.23431	2.6
433.23996	1.6
565.56506	1.5
588.24731	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	849.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	10.3
60.55654	0.3
64.98549	0.3
70.75216	0.5
70.87627	0.3
71.01392	2.3
73.02961	0.9
85.02970	0.5
89.02461	0.8
91.05555	0.8
93.03502	0.7
101.02427	1.4
101.03979	1.0
103.05523	0.3
108.02182	1.0
109.02959	29.2
110.03287	0.8
113.02464	1.0
113.60266	0.3
117.03463	0.5
119.03557	0.4
119.05035	7.1
120.05327	0.4
121.02959	3.4
122.03711	0.5
123.04534	2.1
125.02493	0.3
129.03474	10.2
130.04337	1.7
131.05063	0.6
133.02892	0.7
135.04512	0.9
145.02963	8.3
145.87737	0.3
146.03752	9.4
147.04529	100.0
148.04881	4.8
151.04036	0.4
153.09259	0.6
158.03700	0.9
159.04524	20.8
160.04858	0.9
161.02490	1.0
161.04547	0.4
161.05956	0.3
173.02509	0.3
203.03462	0.8
208.22034	0.3
223.07545	0.4
237.05432	0.3
243.15988	0.4
251.07167	0.8
252.07944	0.7
254.05688	0.4
268.07391	0.5
269.08197	58.0
270.08496	5.4
313.07181	35.8
314.07559	3.4
387.20361	2.0
405.21707	0.4
438.18796	0.3
447.22336	7.4
448.22830	1.0
491.21362	0.3
531.94165	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.4856
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	15.4
61.98830	2.3
62.47805	1.0
69.03461	1.7
70.09935	6.0
71.01389	11.8
73.02939	3.2
83.46777	1.3
85.02956	4.2
87.00861	3.8
89.02447	11.6
97.06590	2.5
101.02441	8.9
113.02450	5.4
119.03474	2.9
125.02429	2.6
151.11290	12.1
169.12346	66.4
170.12675	3.6
171.10231	2.7
179.05527	1.6
213.11342	10.6
221.06619	3.5
253.09253	4.3
255.23299	26.5
255.34029	1.2
256.23550	2.9
303.23224	7.7
309.20651	1.6
327.21835	7.1
341.10312	1.5
460.65366	1.3
611.25183	2.1
680.80231	1.5
733.49951	1.3
849.48499	100.0
850.48730	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.512
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
64.76358	0.3
70.18325	1.1
80.96521	0.3
98.19927	0.3
98.67413	0.3
274.69254	0.2
288.67831	0.3
340.66095	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03955	1.7
69.03471	2.3
69.38113	15.4
71.01389	22.9
72.99310	10.7
73.02948	5.7
75.00887	35.4
81.03458	6.3
83.01385	2.3
83.05040	12.7
85.02945	2.3
87.00877	3.5
93.03467	25.8
95.05040	2.5
99.00890	4.1
101.02454	3.2
109.02968	5.9
110.03742	4.9
110.65491	1.7
111.04531	36.0
112.04870	1.9
113.02417	2.0
118.99886	24.2
121.02969	34.4
135.04515	4.3
137.02449	2.2
139.04019	69.5
140.04359	2.8
146.03706	3.8
147.04510	6.9
149.06102	2.9
158.03772	4.7
159.04532	23.8
160.05208	6.0
161.06018	3.1
162.06741	1.8
163.04027	2.8
170.49840	2.0
171.08150	2.0
172.05296	29.7
173.06079	34.5
174.03217	4.0
174.06682	4.4
175.04016	2.8
175.07626	7.7
176.04796	5.4
181.81126	1.9
183.04471	3.5
185.06053	4.5
186.06807	6.2
187.04036	6.8
187.07666	79.2
188.04814	21.6
188.08144	7.0
189.05527	5.4
189.09198	19.2
191.03568	3.3
192.04285	2.2
197.06100	11.9
198.06787	4.9
199.04091	4.0
199.07614	4.6
200.04774	6.4
200.08315	2.2
201.05527	6.2
201.09210	24.5
202.06325	7.5
203.07039	3.7
204.04306	3.5
204.07867	3.5
205.08659	4.3
211.04132	1.8
213.05624	4.2
213.09206	8.7
214.06305	4.4
215.07153	21.5
215.10742	4.0
216.04314	14.0
216.07840	6.7
217.08707	90.0
218.09007	6.2
222.33089	1.7
223.07616	3.2
225.09235	10.8
226.09720	3.3
227.03479	7.2
227.07225	2.8
227.10788	25.6
228.04106	4.1
228.11023	3.1
229.08681	7.3
231.06685	9.6
231.10320	13.5
241.05040	1.9
242.05710	3.7
243.10286	16.9
245.08174	50.3
245.11816	30.1
246.08652	4.2
246.12056	2.3
257.08221	54.7
258.08521	4.4
261.11313	17.6
271.09760	22.6
273.73904	2.2
275.09213	8.0
289.07220	20.1
289.10815	100.0
290.07727	2.7
290.11102	8.9
315.08752	3.0
333.09756	20.0
338.54987	2.1
377.08887	15.5
403.80405	2.0
562.72845	1.9
803.45367	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	847.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.3
63.02396	1.9
65.00320	4.4
71.01382	0.4
71.61200	0.4
75.00877	16.7
77.76427	0.3
83.01391	2.4
93.03477	1.4
95.01384	0.6
101.02469	0.4
105.03442	0.4
107.01395	7.2
107.05034	0.4
108.02195	0.9
109.02954	3.1
117.03481	1.1
119.01396	0.6
119.05039	0.9
121.02963	5.9
123.04548	0.5
125.02454	0.7
132.02174	1.3
133.02963	25.7
134.03349	1.2
135.00880	1.0
135.04538	8.4
136.04819	0.5
139.04044	0.6
145.02953	3.3
147.00890	0.4
148.01683	0.7
149.02489	1.2
151.00377	26.9
152.00766	1.0
157.06563	0.6
159.04529	1.4
161.02451	100.0
162.02794	4.6
163.00345	4.0
163.04001	0.6
164.01146	1.4
165.01932	0.4
167.05017	0.5
169.01439	1.2
171.04424	0.5
175.04034	1.0
177.05505	0.5
178.99869	12.2
179.03487	3.4
183.04601	0.7
185.06142	0.3
187.03999	1.8
189.01974	0.3
190.99873	0.8
192.00665	1.3
193.01457	0.6
198.03204	0.5
199.04091	0.8
201.05591	0.9
203.03586	0.5
205.59529	0.3
211.04012	1.5
213.01939	0.5
213.05515	0.6
214.02701	0.4
216.04338	0.9
219.03087	0.4
221.04530	0.7
226.02725	1.2
227.03502	3.2
227.07184	0.7
228.03952	0.5
229.04942	1.5
237.04039	16.9
238.04468	0.8
239.03642	0.6
239.07146	0.6
243.02994	8.1
244.03630	0.7
245.04504	1.4
254.02153	1.6
255.02991	24.7
255.10233	0.8
256.03433	2.1
257.04544	0.9
265.05130	1.2
271.02478	40.8
272.02942	5.1
273.04016	2.4
281.08313	1.5
283.02521	2.1
284.03262	1.8
285.04068	3.8
286.04340	0.4
299.02185	1.5
300.02756	79.1
301.03503	75.9
301.07193	0.6
302.03879	5.8
307.05768	0.4
323.07678	2.0
324.07700	0.4
325.07263	1.3
343.04358	0.7
359.04105	0.9
463.08820	28.1
464.09183	3.9
469.11322	1.1
485.10696	0.5
545.13049	1.2
609.12476	48.9
610.12903	8.7
625.12012	12.4
626.12531	2.3
667.13232	0.7
738.45532	0.4
745.17731	3.1
746.18463	0.8
758.45557	0.4
771.15625	4.3
772.15961	1.3
789.16675	7.1
790.17206	2.0
798.65338	0.4
847.17261	12.5
848.17755	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	847.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	7.2
59.49751	1.1
63.02414	3.1
63.42965	1.0
65.00323	5.4
69.50612	6.8
70.31266	1.4
71.01388	1.9
73.55858	1.2
75.00883	11.8
83.01392	4.0
93.03474	4.2
98.19901	2.6
101.02449	1.3
107.01403	11.1
108.02178	1.9
109.02947	6.7
116.44981	1.1
117.03406	1.5
119.05005	2.8
120.05244	1.1
121.02965	7.0
125.02422	1.7
132.02194	1.6
133.02959	18.8
135.04550	16.5
135.40565	1.1
137.02394	1.4
145.02983	6.5
148.01649	1.6
149.06075	2.5
151.00377	38.2
152.00758	2.2
159.04532	2.8
161.02454	69.8
161.06102	1.9
162.02800	2.8
163.00356	6.4
163.03993	2.5
169.01440	2.3
175.03983	1.3
177.05627	2.9
178.99884	18.3
179.03534	8.6
187.03989	2.4
192.00665	1.8
203.03421	1.3
211.03947	3.2
221.04596	2.2
227.03529	7.4
227.07043	2.3
229.05040	3.0
237.03993	9.8
239.07173	1.2
243.02995	8.7
245.04480	2.2
254.02142	2.1
255.02992	31.2
255.10301	2.5
256.03436	3.7
257.04568	3.1
271.02493	41.6
272.03082	5.5
273.03943	3.7
283.02438	3.4
284.03253	8.0
285.04010	20.7
286.04318	2.6
299.02066	2.2
300.02762	83.7
301.03528	100.0
302.03937	8.7
323.07727	4.6
325.07156	1.6
375.88495	1.3
419.07559	2.9
447.09311	2.6
463.08795	25.6
464.08801	3.2
475.56351	1.4
487.12607	1.6
543.07843	1.5
609.12488	48.4
610.12897	7.9
625.12152	8.8
626.12231	1.4
708.76477	1.2
727.16272	2.4
745.17535	2.2
771.15833	9.6
772.16595	3.4
789.16736	19.2
790.17242	5.9
847.17291	18.2
848.17682	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	845.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	18.5
61.98840	23.4
69.03447	2.5
69.20458	2.0
71.01387	20.8
71.61893	2.6
73.02950	2.2
83.01363	2.1
83.61150	1.9
85.02957	4.4
87.00883	4.5
89.02448	11.8
89.13322	2.1
95.05068	1.9
96.75174	1.6
97.02969	2.7
97.06580	12.0
101.02445	9.2
113.02435	5.6
116.92842	5.5
119.03500	3.6
123.08170	9.0
125.02475	2.8
125.09737	78.9
126.10021	2.2
142.28696	1.9
159.04520	3.7
161.04735	1.6
187.09778	35.6
189.92723	1.8
235.08415	2.0
277.21741	28.3
278.22028	5.0
397.13538	5.5
470.53284	2.0
542.42517	2.1
576.52576	1.9
585.24713	2.0
700.62714	2.0
845.45471	100.0
846.45734	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	72.7
60.01717	2.1
61.01809	0.7
61.40575	0.3
61.98832	0.3
69.06340	0.3
71.01389	5.5
73.02961	1.6
75.00881	1.0
78.70110	0.3
83.01390	0.7
85.02954	2.5
88.83480	0.4
89.02450	1.2
93.03481	0.8
94.18701	0.3
95.01437	0.4
97.02924	0.3
99.00862	0.5
101.02449	3.2
101.33109	0.3
105.15838	0.2
107.05034	0.4
113.02455	2.0
114.28851	0.3
117.03481	0.4
119.05035	100.0
120.05369	12.4
121.02966	0.6
121.05634	1.1
135.04506	1.6
143.03456	0.4
150.05627	0.4
159.03102	0.3
161.04547	1.1
229.18089	1.6
279.03104	1.7
279.05661	0.3
285.03918	0.6
300.02823	0.4
323.11273	0.5
373.22293	5.5
374.22577	0.4
386.07669	0.3
389.21744	0.4
391.23370	4.2
392.23804	0.6
431.22598	0.5
432.23233	0.7
433.24429	9.6
434.24796	1.8
545.71021	0.3
604.71704	0.3
764.87445	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01712	1.2
64.17713	0.4
69.03461	1.0
69.78653	2.0
71.01385	21.5
72.99317	1.2
73.02950	24.2
75.00870	1.0
81.03451	0.6
83.01392	7.9
85.02953	4.5
87.00864	0.4
89.02448	6.3
91.11739	0.4
95.01410	1.3
97.02965	1.1
99.00855	0.7
101.02447	26.4
103.04035	1.6
109.02958	0.4
113.02457	11.3
119.03527	3.8
119.05018	6.1
125.02447	3.4
131.03528	2.3
143.03510	2.8
149.04550	5.7
155.03560	0.6
161.02554	0.6
161.04559	9.0
163.06113	2.0
179.05705	1.1
192.68214	0.4
200.22723	0.4
203.05670	1.3
221.06702	2.8
234.25150	0.4
265.38565	0.4
279.02945	0.6
307.10233	2.5
331.17441	1.8
373.18652	5.3
374.19250	0.8
528.65228	0.4
755.71307	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	5.7
61.98825	1.8
71.01401	3.5
72.99302	1.1
75.00879	34.0
93.03461	0.9
97.06598	2.2
101.02545	0.6
105.00618	0.6
105.03500	1.1
107.05033	1.3
108.02184	16.5
109.02967	26.4
110.03302	0.6
117.01950	2.6
117.03525	0.7
119.05037	3.6
121.02968	12.1
124.01675	0.9
129.03474	1.3
133.02983	2.0
134.03766	4.4
134.69902	0.7
135.04543	27.4
136.01642	5.3
136.04828	1.0
137.02452	2.7
145.02963	5.0
147.00896	0.9
147.04535	14.2
148.01709	1.3
148.05344	6.8
149.02481	0.7
149.06090	1.7
150.03241	1.0
151.00360	2.7
151.03979	2.9
159.04504	0.6
161.02388	1.7
162.03250	1.0
163.00356	0.6
163.04027	24.0
164.04285	1.1
173.02452	4.7
174.03156	0.9
176.04858	0.9
177.01930	1.2
177.05629	0.6
177.09210	3.7
178.02745	0.9
178.99915	1.2
179.03545	2.3
180.04195	0.6
187.07690	1.6
188.04776	0.6
191.03514	100.0
192.04214	16.1
193.05064	4.9
199.07616	0.7
203.10797	0.8
205.08725	7.7
213.09200	1.6
215.07236	0.6
217.08691	1.4
223.02423	1.1
224.03224	0.6
229.08638	0.8
231.10420	0.8
233.08025	1.4
237.09340	0.7
243.02911	1.0
243.09908	0.7
245.04475	0.7
255.03004	4.6
257.08179	1.3
271.02460	9.3
271.09796	3.4
275.09271	1.8
277.10846	2.2
289.07605	1.4
289.10837	27.3
290.11243	2.8
293.10342	2.8
300.02783	18.4
301.03470	12.9
302.03592	0.8
307.11877	24.4
308.12180	2.9
321.09714	5.8
333.09802	3.3
351.10840	8.0
352.11127	1.2
395.09750	6.2
447.09369	32.6
448.09689	3.3
449.10028	1.0
643.47321	0.7
710.42328	0.6
738.27307	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69004	0.1
59.01384	16.0
60.01721	0.2
65.15659	0.1
71.01379	1.2
73.02944	0.7
75.00911	0.2
83.01408	0.2
85.02959	0.5
87.00867	0.2
89.02450	0.5
93.03471	0.5
95.01405	0.2
98.20702	0.3
101.02458	1.1
113.02493	0.6
119.05035	100.0
120.05370	4.6
122.93729	0.1
125.02365	0.1
145.02989	0.2
161.04568	0.4
203.23734	0.1
228.57404	0.1
279.03104	0.2
323.11444	0.8
325.16577	0.2
369.19186	0.5
387.20245	1.2
388.38287	0.1
429.21228	2.0
430.21536	0.2
472.20917	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	841.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	27.5
60.01724	0.2
64.46600	0.2
65.72610	0.1
71.01384	2.4
72.01710	0.2
73.02956	2.6
75.00883	0.4
80.64589	0.1
83.01398	0.7
85.02962	0.5
89.02449	0.5
93.03445	0.5
95.01334	0.2
101.02444	2.9
113.02463	1.2
114.24919	0.2
119.05034	100.0
120.04510	0.3
120.05367	4.8
121.05553	0.2
131.03535	0.4
143.03596	0.2
145.02933	0.5
147.52559	0.2
149.04520	0.4
161.04604	1.1
192.50192	0.1
207.83818	0.2
221.06627	0.3
281.10275	0.2
323.11301	0.8
369.19193	0.7
387.20398	1.0
429.21368	1.1
430.21420	0.2
640.13055	0.2
830.37262	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01713	1.1
61.98813	0.7
69.03455	1.7
71.01384	51.5
71.61582	0.3
72.01757	0.7
72.99321	1.3
73.02950	56.8
74.03282	0.9
75.00863	2.6
81.03474	0.6
83.01392	19.5
85.02956	5.0
87.00871	1.1
89.02449	9.0
93.37460	0.3
95.01400	2.0
97.02956	1.1
99.00863	0.9
101.02448	49.9
102.02796	1.2
110.21125	0.3
113.02448	16.0
113.68720	0.3
114.02762	0.4
117.01944	0.5
117.03456	0.4
119.03508	5.0
119.05015	1.4
124.13550	0.4
125.02438	2.0
126.61674	0.4
131.03494	5.0
143.03491	5.9
145.02942	3.8
149.04555	9.8
155.03503	1.8
161.04568	15.0
163.04039	0.9
177.05547	0.4
203.05605	1.9
218.24094	0.5
221.04491	1.2
221.06619	4.7
231.14714	0.4
236.72287	0.4
285.03922	0.4
362.18469	0.6
460.65176	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
61.80508	0.2
61.98839	1.4
70.63666	0.8
73.02956	1.8
89.39206	0.3
99.00877	0.2
99.92588	11.7
99.93250	0.6
100.92580	0.7
114.93430	0.6
116.92865	100.0
117.01936	2.5
117.92878	5.6
277.21860	0.3
521.50201	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.6
59.45598	0.9
75.00864	0.9
82.17743	0.9
98.20708	2.2
107.01371	1.4
119.05037	1.7
130.04271	1.1
131.05008	1.8
135.00871	1.4
135.04510	1.2
140.01666	1.2
145.02925	1.9
151.00313	1.2
158.03763	1.0
159.04535	26.0
160.04868	1.4
163.00349	1.0
171.04541	1.1
175.04012	1.4
185.06078	2.3
201.05571	11.1
211.04031	1.1
213.05440	1.4
227.03479	16.8
228.03918	2.1
229.05051	7.9
229.44704	1.1
243.02991	3.0
244.03426	1.1
245.04575	14.6
255.02995	32.4
256.03525	5.3
257.04486	4.2
284.03287	50.1
285.04041	60.9
286.04388	6.1
287.04877	1.0
338.24521	1.0
593.15161	100.0
594.15521	20.7
595.15680	1.5
750.92609	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98841	3.0
68.87123	0.2
71.61745	0.4
73.02945	1.3
73.11279	0.2
78.95939	0.3
99.00808	0.3
99.92588	13.6
100.92618	0.8
114.93462	0.6
116.92866	100.0
117.01945	2.5
117.92875	5.4
122.03504	0.3
135.71510	0.3
159.04544	0.5
245.04543	0.5
245.71092	0.3
276.34402	0.2
277.21722	0.4
350.93338	0.3
368.76532	0.3
483.28036	0.3
868.77899	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.4
59.94571	0.4
61.98845	3.2
71.61367	0.6
73.02943	1.5
76.41977	0.3
99.92592	12.9
100.92597	0.6
106.91563	0.5
114.93456	0.9
116.92870	100.0
117.01949	2.4
117.73020	0.4
117.92890	5.9
142.88632	0.4
175.49541	0.3
190.56413	0.3
208.16397	0.4
277.21729	1.6
563.90033	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01717	1.1
65.81451	0.3
71.01388	9.3
72.99306	0.4
73.02954	2.5
75.00860	0.4
83.01394	1.7
84.45009	0.3
85.02956	4.2
87.00892	0.7
89.02442	2.6
95.01382	0.5
99.00912	1.0
101.02451	7.2
101.03076	0.5
108.02191	0.5
109.03012	0.3
113.02458	4.1
115.61291	0.3
119.03533	0.6
121.02968	0.5
129.01935	0.4
131.03474	0.3
135.04523	5.1
135.05476	0.5
143.03520	0.3
147.04536	0.8
148.68503	0.3
153.83749	0.3
159.03041	0.4
161.04565	2.9
163.04114	0.8
191.03487	3.8
192.04266	3.1
195.13951	0.8
205.12376	0.4
211.17264	0.3
223.13393	7.9
224.13684	0.3
253.09334	1.9
289.10788	0.7
291.18146	8.7
292.18637	0.7
333.19168	2.8
355.21387	1.7
373.22430	3.0
415.23398	6.8
415.28433	0.5
416.23798	0.6
459.22510	2.1
460.22858	0.5
547.85022	0.4
649.85205	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5167
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
62.28612	0.1
62.98545	0.1
64.50090	0.1
66.16930	0.1
71.11900	0.2
71.13989	0.1
72.95663	0.1
75.52197	0.1
128.99637	0.1
193.78491	0.1
364.90408	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	836.5169
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
62.17751	0.2
70.74049	0.2
70.74375	0.4
71.01399	0.2
78.98611	0.2
79.95770	0.3
80.96516	1.8
83.84920	0.1
94.98096	0.4
124.25433	0.2
152.98708	0.2
164.98645	0.2
209.71332	0.1
225.00793	0.4
247.18022	0.1
393.50699	0.2
836.52460	0.3
837.48138	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	835.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00579	0.3
59.01385	100.0
60.01715	1.4
69.03468	0.4
71.00993	0.5
71.01389	11.2
71.05031	0.6
72.01725	0.2
72.99335	0.4
73.02955	4.4
75.00909	0.5
76.25301	0.2
78.20794	0.2
78.85236	0.3
80.23532	0.2
80.77145	0.2
81.03446	0.4
83.01394	1.4
83.05041	0.4
83.74439	0.2
85.02956	5.7
87.00895	0.6
89.02450	1.9
91.58458	0.2
95.01391	1.2
97.02974	0.4
99.00894	1.7
101.02447	7.8
106.64474	0.2
113.02458	4.5
114.02761	0.2
117.67452	0.2
119.03549	0.4
125.02456	0.6
127.71675	0.2
143.03505	0.6
143.10803	0.2
152.42343	0.2
159.03021	0.8
161.04562	3.3
163.06171	0.4
163.11398	0.4
165.12964	0.3
167.10831	0.2
167.14394	0.3
179.14349	0.2
188.74240	0.2
195.13884	1.3
205.12408	1.0
209.11838	6.7
209.13736	0.4
210.12283	0.3
211.13510	0.3
223.13409	10.6
224.13785	0.7
227.12811	1.0
229.14613	0.4
230.14812	0.3
237.04280	0.3
240.78543	0.3
253.09290	2.0
289.16592	10.2
290.16953	1.0
331.17636	3.7
332.17871	0.3
375.16745	0.2
397.13498	1.4
415.14810	0.3
418.21750	0.2
422.29556	0.3
440.30173	0.4
441.30768	0.5
459.22382	2.2
460.23099	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.4546
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	2.3
59.01384	37.0
60.01685	0.6
61.98828	1.0
69.61800	5.1
71.01385	22.0
72.01717	0.8
72.99310	2.7
83.01389	2.1
85.02958	5.3
87.00877	1.1
88.98817	1.6
89.02456	14.1
90.02801	0.8
95.01386	2.4
96.96009	1.6
101.02459	10.0
113.02462	5.4
119.03497	3.6
135.08191	0.6
149.06070	2.5
150.06877	24.7
151.07199	1.5
163.06279	1.2
163.07651	21.9
164.08263	2.1
176.08385	0.8
178.10001	1.8
179.10771	6.6
180.11154	0.9
197.44109	0.8
235.81985	0.7
432.32602	6.0
446.34052	21.6
447.34747	15.6
448.34921	2.4
462.33463	2.4
463.34293	2.3
671.40387	1.1
703.89606	0.7
833.45441	100.0
834.45856	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	833.5441
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	17.3
59.83190	0.8
61.98821	1.6
68.54637	0.8
70.85079	1.8
71.01370	1.2
78.95902	1.1
80.96498	1.2
101.02406	1.5
115.29492	0.8
167.19762	0.9
235.08220	1.0
253.09357	4.6
277.21732	100.0
278.22049	10.4
305.49274	0.8
475.23740	1.0
833.51141	2.3
843.24597	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	7.5
63.36608	1.6
71.01385	6.2
72.99310	25.5
73.02941	5.5
75.00880	29.3
83.01389	1.7
97.06634	1.9
101.02444	2.3
107.04992	1.8
108.02177	7.4
109.03001	2.2
117.03461	2.6
118.99869	100.0
119.05032	5.4
120.00215	2.3
121.02969	9.3
122.03758	23.8
124.01678	5.2
129.09239	5.3
133.03018	1.9
134.03734	3.2
135.04544	20.3
136.01657	11.8
145.02943	6.7
146.03740	5.8
147.04491	12.4
148.05342	11.4
149.05968	1.8
156.53954	1.7
161.04657	1.8
161.06029	2.1
162.03146	2.2
162.06839	3.8
163.04031	20.9
168.17151	1.8
172.05287	2.2
173.02477	5.4
174.03256	7.5
177.09216	92.7
178.09518	5.3
185.02336	2.2
186.03247	1.9
187.07774	2.5
191.03513	77.2
192.04239	14.5
200.04761	2.7
201.09142	4.8
203.10750	4.5
205.08691	77.7
206.09058	5.1
213.05537	1.6
217.12398	8.8
229.08675	15.2
231.10266	1.9
237.54723	1.7
243.10201	1.9
245.11795	2.5
257.08212	58.5
258.08563	7.4
261.11380	4.7
271.09961	2.1
275.09286	6.8
279.03055	3.7
289.10837	76.9
290.11145	9.8
333.09824	36.5
334.10095	4.3
377.08997	4.3
428.47275	1.8
454.07507	1.7
584.09949	1.8
731.72217	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	831.5033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.5
60.15375	0.9
61.98839	4.4
71.01378	2.9
71.60303	1.8
73.69208	0.9
75.00887	1.1
78.95910	90.6
78.98592	1.5
79.95750	4.9
80.96519	15.6
83.98577	1.0
85.02970	0.9
87.00891	1.5
92.92784	5.5
94.98088	3.3
96.96970	18.2
97.52701	0.8
102.12508	0.8
114.57531	0.7
116.97304	5.2
122.97574	2.5
125.02383	0.9
134.97604	1.7
134.98572	1.5
141.01721	1.6
143.99112	1.4
152.99614	22.3
164.98625	2.4
223.00146	8.2
225.00737	3.1
241.01189	35.4
255.23302	59.7
256.23706	6.3
259.02206	1.9
277.21738	38.9
278.22049	3.4
280.97699	0.9
297.03601	1.8
315.04816	1.8
315.79019	0.9
338.93530	2.1
346.83752	0.9
391.22540	8.5
401.36142	0.9
413.20996	1.3
553.28113	7.8
571.28864	1.9
575.26001	1.7
831.50250	100.0
832.50568	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.2
63.02412	0.9
65.00338	0.9
69.69970	1.0
72.99313	0.4
75.00878	18.4
77.30112	0.2
83.01407	0.8
92.51646	0.2
93.03476	1.3
95.01416	0.2
99.00864	0.2
105.03493	0.3
107.01391	1.9
108.02186	0.3
109.02969	1.2
113.02490	0.2
117.03474	1.7
119.05039	1.5
121.02977	0.9
123.04537	0.3
125.02479	0.2
131.05040	0.3
132.02174	1.5
133.02965	23.7
134.03389	0.7
135.00920	0.7
135.04532	9.6
136.04901	0.4
137.02376	0.4
143.05002	0.3
145.02965	4.7
145.70789	0.2
147.04547	0.2
151.00375	4.3
152.00667	0.2
154.04292	0.2
157.06636	0.3
158.03804	0.2
159.04543	1.2
160.01666	0.2
161.02452	100.0
162.02782	5.4
163.00365	1.4
163.04025	0.8
164.01180	0.5
165.01962	0.3
169.01450	0.4
169.06595	0.5
169.83972	0.2
171.04523	0.6
173.06067	0.2
174.03136	0.2
175.04001	0.4
177.02016	0.2
177.04260	0.2
177.05592	0.8
178.99915	0.7
179.03506	5.9
180.03894	0.3
183.04587	0.3
185.06096	1.2
187.03946	1.5
189.05608	0.4
195.04582	0.5
196.05142	0.2
197.06099	0.5
199.03986	0.6
200.04871	0.2
201.05556	0.3
203.03500	0.4
208.54024	0.2
211.03937	1.0
211.07645	0.7
212.04614	0.3
213.05563	1.3
214.02727	0.3
215.03502	0.2
219.03078	0.9
221.04456	0.8
221.90102	0.2
226.02803	0.2
227.03506	9.0
228.03975	0.8
229.05057	3.9
230.80452	0.2
237.04039	25.6
238.04459	1.4
238.06467	0.3
239.03479	0.8
239.07133	1.2
240.04205	0.6
241.05086	0.6
243.02992	0.6
255.02994	16.6
255.10352	0.6
256.03632	2.6
257.04532	3.1
265.05002	0.6
267.02936	0.4
271.02441	2.2
272.03183	0.2
279.02621	0.3
279.05185	0.7
281.08414	1.0
283.02530	0.4
284.03265	18.5
285.04044	46.5
286.04391	3.9
299.09073	0.2
300.02762	4.5
301.03513	5.5
302.03918	0.5
307.08566	0.4
323.07742	4.0
324.08102	0.3
325.07181	1.2
343.04504	0.5
443.13651	0.3
447.09338	2.4
448.09653	0.5
463.08795	2.9
464.09119	0.5
469.11502	1.4
485.10934	0.3
487.12347	0.4
543.07672	0.4
545.12958	1.5
593.13031	22.2
594.13385	3.7
609.12500	16.0
610.12939	3.0
729.18701	0.7
754.37860	0.2
755.16266	1.1
756.16455	0.3
773.17090	2.1
774.18085	0.5
831.17584	2.5
832.17865	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.4
63.02394	0.8
65.00330	1.1
71.01375	1.2
71.16846	0.2
71.17165	0.2
75.00875	2.8
77.57436	0.2
78.54443	0.2
83.01377	1.2
85.02962	0.3
89.02477	0.3
91.01897	0.6
93.03459	3.6
95.01390	0.5
99.00872	0.2
101.02428	0.4
107.01390	3.1
109.02948	3.1
111.00820	0.3
113.02422	0.3
115.00355	1.8
117.03484	1.1
119.01385	0.2
119.05035	1.7
121.02950	0.6
123.00906	0.3
123.04546	0.2
125.02430	0.6
126.15669	0.2
129.03473	0.3
130.04240	0.4
131.05020	0.5
132.02185	0.5
133.02997	1.5
133.06589	0.3
135.00880	0.8
135.04529	3.6
137.02438	0.4
143.05035	1.4
145.02953	2.9
145.06610	0.4
147.04530	1.1
148.05220	0.2
149.02524	0.2
149.06104	2.3
151.00377	4.6
153.01936	0.4
154.04234	0.3
154.83722	0.2
155.01099	0.2
156.05717	0.2
157.01367	0.2
157.06572	1.0
159.04526	1.7
161.02449	6.2
161.04674	0.2
161.06029	1.4
162.02867	0.6
163.00366	2.8
163.04019	0.9
164.01195	0.3
165.01944	0.5
167.05005	0.7
169.01443	0.9
169.06628	1.3
171.04529	1.5
173.02394	0.5
173.06059	0.5
174.03188	0.6
175.04012	0.8
177.05537	0.6
178.99878	0.3
179.03496	1.2
179.72801	0.2
183.04492	0.6
184.05247	0.6
185.02432	0.5
185.06070	3.2
186.06496	0.2
187.02457	0.4
187.04008	3.4
188.04431	0.4
189.05574	1.1
191.03481	0.8
192.00607	0.4
195.04576	0.6
196.05328	0.2
197.06085	1.1
198.03310	0.3
199.03987	1.2
199.07625	0.3
201.05545	1.0
203.03505	0.3
205.05006	0.4
210.06866	0.2
211.03993	1.9
211.07492	0.4
212.04692	0.2
213.05559	2.4
213.56085	0.3
214.02663	0.4
214.05905	0.2
215.03496	0.6
217.05087	0.2
221.04485	0.3
223.04169	0.3
225.05557	0.4
225.09177	0.2
226.06345	1.6
227.03535	8.8
227.07095	9.0
228.03841	0.6
228.07541	0.9
229.05055	10.8
230.05391	0.8
235.07610	0.3
237.03886	1.3
237.09198	0.7
238.06398	0.5
239.03447	1.4
239.07124	0.8
240.04227	0.8
241.04955	1.4
243.02979	0.7
251.07095	0.6
253.08780	1.4
254.09065	0.3
255.02982	14.4
255.10210	2.8
256.03625	2.8
257.04538	7.0
258.04736	0.4
259.04520	0.6
263.07114	0.5
265.04944	0.4
266.05823	2.8
267.03113	1.2
267.05750	0.3
269.04605	0.4
279.06830	1.0
280.07291	0.6
281.08182	5.7
282.08569	0.9
283.02454	0.6
284.03262	18.6
285.04034	100.0
286.04379	9.3
289.04788	0.2
299.09259	0.8
300.02728	0.7
301.03333	0.6
307.05997	2.6
317.05084	0.8
323.09009	0.2
325.07144	2.0
326.07623	0.2
327.04977	0.6
339.08752	0.3
341.10339	0.4
343.04431	0.7
343.08234	0.4
367.08188	0.7
385.09360	0.4
401.08963	0.3
409.09299	0.4
429.07834	0.2
447.09323	7.0
448.09564	0.7
469.11224	1.4
485.10941	0.8
487.12381	2.4
488.13406	0.3
505.10190	0.3
527.08459	1.5
528.08936	0.4
545.08752	6.5
546.10077	0.7
593.12860	2.9
594.13245	0.4
603.09900	4.2
604.10394	0.8
609.12543	1.1
633.12494	0.4
681.70654	0.2
729.18304	0.7
755.15997	2.3
756.17133	0.4
773.17303	10.5
774.17456	2.8
831.17847	4.7
831.33539	0.3
832.18304	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.7
63.02394	1.0
65.00320	0.8
69.45953	1.1
72.99291	0.4
73.86983	0.1
75.00873	17.3
77.34732	0.2
81.03497	0.1
83.01398	1.0
85.02953	0.2
87.70035	0.1
89.02448	0.2
89.03999	0.2
91.01917	0.3
93.03447	1.6
95.01411	0.3
99.00896	0.1
101.02427	0.3
105.03479	0.2
107.01387	2.1
108.02199	0.2
109.02962	1.3
113.02479	0.3
115.00362	0.4
117.03456	1.7
119.01409	0.1
119.05020	1.6
120.05356	0.1
121.02941	0.4
125.02425	0.3
131.05002	0.2
132.02159	1.5
133.02959	23.5
134.03349	0.8
134.04724	0.1
135.00954	0.7
135.04530	8.7
136.04822	0.4
137.02400	0.2
141.07086	0.2
143.04982	0.9
145.02963	5.1
145.06642	0.2
146.03314	0.2
147.04520	0.3
149.06104	0.4
151.00380	4.2
151.01550	0.3
153.01926	0.3
154.04257	0.3
155.04951	0.2
157.06584	0.6
158.03708	0.2
159.04507	1.4
160.01668	0.3
161.02446	100.0
162.02783	5.2
163.00391	1.3
163.04031	0.7
164.01077	0.4
165.01973	0.3
167.05040	0.4
169.01427	0.6
169.06549	0.7
171.04494	0.7
173.02466	0.2
173.06033	0.2
174.03181	0.2
175.04004	0.4
177.01974	0.1
177.05629	0.7
178.02731	0.2
178.99942	0.3
179.03497	5.8
180.03841	0.3
183.04471	0.4
184.05293	0.2
185.02512	0.2
185.06139	1.7
187.04016	2.0
189.05553	0.7
190.99852	0.2
191.03340	0.2
192.00623	0.2
193.04979	0.1
195.04494	0.4
196.05327	0.3
197.05965	0.7
199.03946	0.5
200.04802	0.2
201.05534	0.5
203.03491	0.5
211.04004	1.3
212.04759	0.4
213.05528	1.5
214.02640	0.3
215.03448	0.5
219.02937	0.3
221.04378	0.8
223.04036	0.2
226.06351	0.6
227.03514	9.3
227.07025	3.6
228.03926	0.8
228.07455	0.4
229.05032	5.5
230.05382	0.4
237.04027	24.5
238.04292	1.7
239.03506	0.9
239.07137	1.3
240.04195	0.4
241.05058	0.9
243.03088	0.3
247.06204	0.1
251.07150	0.2
253.08772	0.5
255.02977	16.8
255.10236	1.0
256.03598	3.0
256.10510	0.2
257.04550	4.5
258.04822	0.3
263.07217	0.4
265.05078	0.7
266.05688	0.7
267.02948	0.5
271.02579	0.3
279.06430	0.3
281.08224	2.5
282.08621	0.3
283.02490	0.4
284.03256	21.6
285.04028	61.1
286.04385	5.3
286.07642	0.2
300.02786	0.4
301.03522	0.6
307.06049	0.7
307.08774	0.3
317.05194	0.2
323.07706	3.7
324.08035	0.2
325.07159	2.1
326.07434	0.3
327.05273	0.3
339.08871	0.2
341.10419	0.2
343.04556	0.7
367.08228	0.3
443.13632	0.2
447.09344	3.6
448.09628	0.3
469.11362	2.1
470.11624	0.2
485.10657	0.5
487.12265	0.6
505.09735	0.2
527.08099	0.5
545.10724	1.5
546.12604	0.2
593.12982	21.5
594.13275	4.2
603.09796	0.9
609.12476	14.0
610.12811	2.7
651.13104	0.3
729.18164	0.6
755.16266	1.2
756.16833	0.3
773.17206	2.7
774.17395	0.8
831.17889	3.3
831.32251	0.1
832.04071	0.2
832.17615	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	16.5
59.98384	0.8
65.75484	0.7
71.01374	1.0
84.43895	0.8
86.37671	0.7
92.07915	0.7
102.84066	0.7
113.36623	0.7
119.05035	100.0
120.05348	5.0
134.03822	1.3
149.06139	1.8
171.47183	0.7
185.25021	0.8
191.03517	2.4
192.04007	1.6
264.89911	0.7
285.04053	0.8
415.20816	0.8
431.09717	1.2
769.80206	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.8
65.00330	1.0
66.32629	0.9
69.97800	2.9
70.32928	0.7
71.01356	0.8
83.01392	1.2
103.00410	1.1
107.01382	1.4
109.02924	1.5
121.02946	1.8
145.02956	1.5
149.02469	1.3
151.00369	6.7
159.04506	1.1
161.02501	1.5
163.00397	1.4
168.15671	0.8
173.06113	0.8
177.01837	0.8
178.99837	3.8
185.02423	1.4
187.07690	0.9
191.03419	1.1
211.03947	1.1
213.02002	0.8
215.06940	0.7
216.04109	1.3
217.08842	0.9
226.02907	1.1
227.03506	1.3
243.02980	5.8
245.08109	1.0
253.05145	1.8
255.03014	13.6
271.02487	32.3
272.02884	3.4
273.03860	0.9
279.12497	1.4
289.10712	2.1
299.02026	0.9
300.02756	69.4
301.03461	36.0
302.03876	3.1
411.07559	0.9
463.08823	100.0
464.09152	14.1
528.23029	0.9
530.76538	0.9
532.04138	0.8
563.13312	1.0
589.11499	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	827.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00585	1.0
59.01380	17.4
60.01683	0.2
61.98835	5.9
68.94651	0.2
69.03439	4.1
69.53787	0.1
70.45177	0.5
70.45522	0.2
71.01385	12.3
71.05031	1.0
72.99320	1.2
73.02949	2.3
75.00858	0.2
81.03461	0.6
83.01405	1.6
83.05019	0.7
84.76789	0.2
85.02952	2.9
85.06600	0.5
86.00113	0.2
86.65707	0.2
87.00880	2.9
89.02448	12.2
93.03452	0.5
95.01398	0.8
95.05013	0.5
97.02953	1.9
97.06581	0.3
99.00879	0.7
99.04510	0.2
101.02445	9.9
102.02797	0.3
107.08636	0.2
108.05827	0.3
109.06599	0.7
111.00916	0.2
111.04552	0.2
111.08125	0.2
113.02456	5.4
115.03963	0.2
119.03513	3.4
123.00874	0.2
123.08187	0.2
125.02457	3.6
125.09719	0.7
127.04064	0.2
131.03488	0.3
133.05083	0.3
135.11810	0.4
139.04012	0.3
141.01921	0.2
141.09174	0.3
143.03505	1.8
145.05084	0.2
149.04491	0.5
149.09741	0.4
153.09195	0.3
161.04530	2.5
161.13377	0.6
167.03555	0.3
167.10773	3.8
177.12851	0.6
179.05606	3.6
179.10774	1.4
179.14406	4.0
180.14717	0.3
185.04539	0.3
187.11252	0.3
195.13893	11.0
196.14243	0.7
199.06166	0.4
205.12326	10.8
206.12732	0.9
217.07097	0.3
221.06651	1.3
223.13385	100.0
224.13728	7.3
235.08185	2.7
253.09349	0.6
256.24725	0.2
259.08258	0.3
263.07642	0.4
265.14420	0.3
277.09390	0.2
287.07742	0.7
305.08731	1.1
323.09683	1.0
349.25406	0.2
367.26358	0.2
377.23114	0.2
379.12430	3.6
380.12833	0.2
397.13486	25.8
398.13800	2.6
411.25418	0.5
415.14563	5.6
416.15018	0.3
427.19858	0.3
429.26358	1.5
430.26776	0.3
441.21222	0.3
511.22241	0.2
603.26581	7.0
604.18335	0.2
604.26782	1.2
621.27563	9.7
622.27942	1.9
757.37207	0.3
783.38202	0.4
809.39349	2.0
810.40424	0.5
827.41119	1.3
828.40741	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	31.5
60.01710	0.3
68.14364	0.2
71.01395	1.1
73.02972	0.3
74.70157	0.3
75.00884	0.5
77.24965	0.2
77.39542	0.2
83.01410	0.3
85.02951	0.6
93.03434	0.6
101.02433	0.6
109.02978	0.3
113.02477	0.4
118.06655	0.2
119.05037	100.0
120.05374	4.4
133.03006	0.2
145.03006	0.4
148.20848	0.2
153.67874	0.3
161.04572	0.3
191.03624	0.3
323.11359	1.0
373.22308	0.6
415.23395	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.3612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	33.0
71.01390	2.4
71.75435	0.3
72.00912	3.9
73.02956	0.7
74.02493	0.4
75.00880	0.5
83.01401	0.5
85.02959	1.3
89.02431	0.7
93.03487	0.3
95.01389	0.4
99.00909	0.5
100.00414	14.5
101.00762	0.6
101.02439	2.3
105.12872	0.3
107.05019	0.7
108.02248	0.4
109.02949	1.1
113.02453	1.1
116.05071	4.5
116.05836	0.5
130.06627	3.7
133.02965	8.8
134.03780	2.4
135.04533	100.0
136.04872	4.7
142.06630	28.0
143.06958	1.6
159.09288	0.9
161.02457	24.5
161.04617	1.1
162.02812	1.5
185.07175	1.6
186.05609	15.3
187.05907	1.0
203.08279	3.4
229.06178	59.8
230.06525	4.4
365.11435	60.7
366.11768	8.1
375.23938	2.7
417.25378	1.5
419.53915	0.4
467.01642	0.4
587.38049	0.5
630.61926	0.4
778.86737	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.6
66.16925	0.5
71.01383	2.5
71.61285	0.8
75.00881	1.7
75.70794	0.5
77.60880	0.5
82.03009	0.7
93.03455	0.8
97.06603	1.1
103.00360	0.9
105.03400	0.6
107.05006	1.1
108.02179	10.4
109.02960	17.1
111.32343	0.5
119.05021	3.6
120.16007	0.6
121.02961	9.2
129.03468	1.0
129.42715	0.5
133.02965	0.7
134.03740	3.0
135.04535	32.5
136.04901	1.0
145.02930	3.9
147.04530	9.5
148.04030	3.1
148.05316	2.4
149.04916	1.1
149.06064	1.5
150.03175	1.4
150.05632	4.6
151.04062	1.3
160.04016	0.6
161.02460	1.0
161.04787	1.4
162.03235	1.6
163.04027	20.2
163.67445	0.6
164.04430	0.7
173.02399	3.9
173.04770	0.6
174.03038	0.9
174.04349	2.9
174.53990	0.5
177.09213	1.1
179.03532	0.6
186.05505	0.7
189.06644	1.4
190.07463	2.7
191.03513	100.0
192.04228	15.8
193.05086	4.1
194.04601	1.1
201.07986	1.3
202.08858	0.8
205.08704	1.5
226.09033	0.7
227.03445	1.2
228.06721	0.8
231.07751	1.0
232.08475	3.5
233.09218	1.9
243.07567	1.0
244.08371	1.6
244.10077	0.8
245.09355	1.9
255.02988	1.0
270.07672	0.7
271.09830	0.8
279.12521	0.6
284.03198	1.3
285.04019	2.0
285.08728	0.7
286.09531	1.1
287.07709	0.7
287.10556	1.2
289.10843	14.7
290.11218	1.6
293.10083	1.0
307.11871	17.9
308.12234	1.6
315.13626	1.1
351.10852	0.8
354.18393	0.7
395.09857	2.5
396.10205	1.0
409.17746	0.7
426.20123	1.0
431.09924	2.1
452.18341	3.6
470.19247	2.7
499.15707	0.9
614.23633	2.6
615.21985	2.8
632.24603	7.9
633.25226	1.0
658.23010	0.6
665.24756	1.8
827.30133	5.2
828.30865	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92847	0.3
59.01373	1.3
61.98842	1.7
62.96411	0.6
64.48256	0.3
69.45357	2.9
71.01392	0.3
71.49628	0.3
75.00887	0.5
78.95909	100.0
96.96024	1.7
96.96961	7.0
122.98551	0.6
125.02473	0.5
127.11293	0.5
133.97041	0.3
138.80754	0.3
140.01225	0.4
152.99597	16.4
167.14456	1.1
168.13908	0.8
171.00644	17.2
172.00908	0.3
175.28615	0.3
177.05273	0.3
188.16920	0.3
194.05818	1.2
202.06384	0.3
211.13364	1.2
214.04857	0.4
225.18568	0.5
229.14525	0.9
241.18050	0.9
251.20210	1.3
268.09525	2.9
295.19241	1.1
321.97885	0.4
337.74371	0.4
339.18106	2.8
366.16739	0.4
413.21835	6.6
413.27036	0.5
525.90662	0.4
560.29913	1.4
578.30988	16.5
579.30872	2.4
710.21698	0.4
740.36011	3.1
741.37061	0.6
782.37390	21.4
783.37366	4.8
788.50433	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	10.3
59.84127	0.3
61.66149	0.4
68.57471	0.3
71.01378	1.4
71.61262	0.4
72.00918	4.7
73.02962	0.4
74.02486	0.5
75.00886	0.3
87.00867	0.6
89.02477	0.4
100.00415	15.2
101.02456	0.9
107.05035	0.8
109.02962	1.1
113.02381	0.5
116.05065	3.7
117.03513	0.5
119.05032	0.3
121.03024	0.3
122.91891	0.3
130.06651	3.2
132.02165	0.3
133.02965	7.4
134.03813	2.4
135.04535	100.0
136.04854	4.7
142.06631	30.7
143.06975	1.7
159.09296	1.0
161.02455	26.8
162.02794	1.3
163.03996	0.4
185.07265	1.5
186.05615	15.3
187.05943	1.1
191.03491	1.1
203.08215	2.8
229.06183	62.5
230.06497	4.6
365.11426	66.6
366.11719	8.4
415.23352	0.6
480.61365	0.4
828.28717	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.189
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99826	1.3
69.74775	9.0
71.01383	11.3
72.99299	6.9
75.00868	16.6
82.25176	1.3
83.05009	2.2
85.02927	2.4
87.00852	1.6
88.36013	1.3
93.03459	2.3
98.19932	2.8
108.02156	4.7
109.02942	4.8
111.01656	1.5
111.04512	5.1
113.02449	2.4
118.99877	14.7
119.05048	3.2
121.02981	11.6
130.04147	1.7
133.02980	2.9
135.04518	10.8
139.04047	7.5
145.02919	3.5
146.03726	5.4
147.04547	11.6
148.05261	5.9
149.02444	3.9
149.05995	2.2
151.00417	2.0
159.04536	8.5
160.01671	2.3
160.05267	3.0
161.02449	3.7
161.06017	2.6
162.03186	2.0
163.04024	19.0
172.05331	7.7
173.02434	4.8
173.05989	6.6
174.03244	13.3
175.03983	6.1
175.07617	2.1
176.04782	8.3
177.09225	8.3
185.06039	4.8
186.06827	2.1
187.04037	7.2
187.07664	15.3
188.04811	17.4
188.08249	1.8
189.09167	6.5
191.03513	53.6
192.04158	9.7
197.06151	10.4
198.06859	15.1
199.04044	2.7
199.07533	5.3
200.04732	2.7
201.05554	4.7
201.09195	4.5
203.10832	1.8
204.07745	1.8
205.08699	26.3
206.09082	1.6
213.05542	3.3
213.09186	12.3
214.06345	2.1
215.07115	8.6
215.10770	3.0
216.04245	2.5
216.07916	2.0
216.11006	1.5
217.08690	31.1
217.12155	2.7
218.09184	3.2
225.09206	5.5
227.07204	2.1
227.10800	30.8
228.11118	3.7
231.06689	2.0
231.10257	14.2
232.03662	2.8
232.10663	1.8
241.04997	1.8
242.06018	1.5
242.09424	1.6
243.10252	20.7
244.10847	2.7
245.08293	7.4
245.11826	22.4
246.12166	2.4
257.05609	2.4
257.08197	29.4
258.08563	1.8
261.11285	5.6
271.02475	6.2
271.09778	32.7
275.09311	2.0
289.10812	100.0
290.11093	8.6
300.02777	9.6
301.03467	6.6
302.39590	1.4
315.08771	16.1
333.09778	4.8
377.08771	7.4
447.09421	19.7
448.09741	2.5
715.81427	1.6
844.09918	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	825.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	6.3
59.57492	2.6
69.68711	15.5
71.01385	33.1
72.99306	12.3
75.00446	5.6
75.00877	97.0
81.03520	2.5
82.46565	2.6
83.05022	6.1
85.02966	4.5
93.03442	12.0
101.61612	2.7
108.02167	4.3
109.02920	4.6
109.68662	2.9
110.03706	3.1
111.04527	17.4
113.71692	2.7
118.99857	56.2
119.05010	3.5
121.02957	19.9
122.03799	3.5
132.17375	3.0
134.03674	3.2
135.04497	5.3
136.01608	3.9
137.02426	3.4
139.04025	26.9
140.67935	2.9
143.05095	3.4
145.02962	8.8
146.03700	8.5
147.04485	9.4
148.05331	5.9
149.06082	3.7
153.01991	3.9
158.03723	7.1
159.04543	28.6
160.05182	3.1
161.02394	9.0
161.06062	3.0
163.03993	9.1
171.04501	7.2
172.05338	18.3
173.06088	20.1
174.03226	20.8
175.03932	5.7
175.07587	5.6
176.04738	4.4
177.09203	25.2
183.04532	4.7
184.05226	5.0
185.05992	5.9
186.06859	4.1
187.04086	13.3
187.07648	53.6
188.04799	18.4
188.08025	5.7
189.05507	5.4
189.09215	19.5
191.03499	28.1
192.04094	6.2
197.06065	14.1
198.06961	14.7
199.04074	4.5
199.07584	5.6
200.04730	2.9
201.05519	5.0
201.09229	14.7
202.06316	3.2
203.10722	9.1
205.08655	24.5
213.09134	31.4
215.03511	3.2
215.07153	33.5
215.10661	9.2
216.04218	3.9
216.07693	3.9
217.08713	59.1
217.12219	5.7
225.09244	5.6
227.03468	3.5
227.07143	6.0
227.10760	43.5
228.04266	4.3
228.11043	3.9
229.08687	7.0
231.06618	5.2
231.10246	47.5
232.10507	5.2
243.10257	18.3
245.08109	20.9
245.11784	25.0
246.08607	3.2
257.08197	100.0
257.10901	6.1
258.08469	8.2
261.11313	12.9
271.09763	66.3
272.10242	7.6
289.07196	9.7
289.10782	98.4
290.11172	11.6
315.08749	53.9
316.09186	6.8
333.09613	9.8
359.07550	2.9
377.08655	6.7
414.17484	2.8
447.09344	17.1
479.92401	3.4
489.90683	3.0
595.46173	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	823.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	14.5
61.98567	0.8
61.98840	8.1
69.03461	1.5
70.76156	1.0
70.76466	1.3
71.01385	13.9
72.99308	1.7
73.02953	1.8
75.00896	1.0
80.96535	0.7
82.95407	1.1
83.01385	1.0
83.05033	0.9
85.02942	3.4
87.00907	3.7
89.02442	10.3
95.01421	1.2
95.05021	1.2
96.96008	1.8
97.02979	1.2
97.06594	13.9
99.00872	1.2
99.92571	1.5
101.02453	8.2
109.02837	0.7
113.02473	4.6
115.92038	2.8
116.92874	1.9
119.03500	2.2
123.08160	7.4
125.02435	2.5
125.09729	100.0
126.10062	4.7
143.03529	1.6
143.10684	1.3
161.04492	1.7
169.08685	2.4
179.05551	1.4
187.09760	75.3
188.10104	3.8
211.09750	1.0
221.06702	4.2
255.23318	20.0
256.23566	0.9
277.21646	2.6
302.56586	0.9
426.82913	1.0
515.99548	1.0
567.22729	1.5
585.23700	3.8
631.79242	1.0
823.47028	96.2
824.32709	1.5
824.47424	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	825.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.9
65.98905	1.1
69.03452	2.3
70.00704	2.8
70.01094	2.5
70.04701	1.2
71.01390	2.1
72.59741	1.1
75.00864	4.8
83.01366	2.1
93.03460	25.5
97.02959	3.4
99.04514	1.8
107.04972	1.7
109.02958	41.1
117.03443	2.0
118.99863	3.9
119.05027	10.4
121.02984	3.0
122.80977	1.2
130.04263	2.3
131.05045	10.6
133.06573	9.9
134.03751	2.0
135.04527	100.0
136.04820	4.8
137.02444	1.6
143.05000	3.4
145.02942	7.6
146.03748	1.2
147.04527	16.9
148.05307	3.7
149.06090	47.7
150.06429	1.8
151.03984	1.6
151.07602	2.2
158.03723	2.0
159.04538	10.2
161.02448	2.2
161.06071	22.9
163.04001	2.3
163.07648	3.1
165.05554	3.4
171.04526	6.1
173.06107	3.2
174.03188	5.8
175.03946	4.0
177.05568	56.5
178.05907	4.6
179.03548	5.9
188.04840	2.4
189.05576	59.9
190.05798	5.8
191.03535	2.6
191.07132	4.4
195.06554	2.5
203.07159	2.5
207.06621	58.5
208.06981	3.6
219.06586	5.6
221.04509	13.0
231.06653	10.9
233.04475	1.9
235.06097	11.7
239.05664	7.3
249.07626	5.5
251.05588	3.7
253.07199	1.6
265.03412	1.7
268.93292	1.1
269.22421	1.2
311.07593	2.3
313.09494	2.7
339.10947	5.6
353.12457	4.3
371.39966	1.2
411.12842	9.7
412.13226	2.3
425.10953	4.9
435.13168	2.3
439.12439	3.4
443.11911	15.6
444.12469	2.7
453.13901	4.4
455.11948	57.3
456.12344	9.3
457.07928	1.4
457.13495	6.9
485.13092	15.8
486.13086	2.8
493.03470	1.3
497.13095	4.1
515.14014	35.5
516.14551	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	819.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	54.0
60.01719	0.7
69.38646	2.5
71.01388	2.9
73.02950	0.8
75.00895	0.4
83.01377	0.6
85.02950	1.6
91.05561	0.4
93.03482	0.7
95.01463	0.3
99.00908	0.4
101.02451	2.2
108.02159	1.3
109.02961	62.3
110.03286	2.2
113.02457	1.1
115.05558	0.8
119.05035	4.1
120.05372	0.3
121.02995	1.2
123.04543	1.7
125.02490	0.3
128.77061	0.3
129.03445	1.7
130.04213	0.3
131.05034	0.7
132.05309	0.3
135.04544	1.7
137.02478	0.6
145.02959	1.0
145.42450	0.3
146.03766	2.5
147.04539	21.2
148.04878	0.9
158.03735	3.2
159.04526	100.0
160.04868	5.5
161.04568	1.0
161.06039	0.3
175.03978	0.5
197.05936	0.5
219.02983	0.3
251.07207	0.6
252.07867	1.5
267.06558	0.3
268.07416	0.8
269.08200	38.3
270.08563	3.3
313.07159	1.1
357.06158	5.6
358.06500	0.9
375.23938	2.3
417.24905	3.1
444.91040	0.3
451.73245	0.3
481.86353	0.3
603.28223	0.4
643.11664	0.4
775.76855	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.4
63.96241	2.7
69.03452	1.3
69.74115	4.3
71.01389	10.8
73.02946	2.0
78.98593	8.3
79.83415	0.7
79.95747	19.6
80.96521	94.7
81.03438	1.0
81.81914	0.7
81.96458	0.7
82.96119	3.5
85.02941	3.2
87.00896	3.3
94.98095	22.4
95.01376	0.8
96.96037	1.8
97.02955	2.2
99.00897	1.4
101.02443	2.7
103.91998	0.9
106.98114	4.1
122.97594	3.7
125.02470	2.9
127.04003	1.0
134.97595	7.1
136.99152	1.5
138.97096	0.6
141.27791	0.7
148.99167	7.2
152.98640	6.7
164.98637	14.1
166.98213	0.8
206.99672	2.8
225.00745	19.3
226.01103	1.3
227.00453	0.9
243.01463	0.8
255.23308	1.8
260.91623	1.1
281.24777	1.8
322.91586	1.8
391.36670	0.7
478.86731	1.7
537.27386	3.0
563.28607	1.4
819.52875	100.0
820.53143	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	820.434
Annotation	Unknow
Peak:m/z	Relative Intensity
61.57573	0.2
61.98835	100.0
62.98529	0.3
71.61732	0.4
76.65623	0.2
80.96507	0.5
94.98135	0.3
116.92891	0.3
121.02976	2.4
122.03313	0.4
122.30243	0.2
134.89711	0.2
162.13007	0.3
165.01950	2.1
166.02321	0.6
167.03558	0.4
211.13443	0.3
329.32513	0.2
347.78360	0.3
820.54956	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	4.4
58.00599	4.7
59.01385	70.6
61.98834	4.7
69.03464	5.6
69.80581	5.2
69.80975	6.7
71.01389	48.4
72.99327	6.2
73.02950	9.9
75.00884	3.6
78.95912	2.2
80.96516	2.6
81.03465	4.6
83.01391	3.4
85.02955	14.7
87.00879	16.6
89.02449	36.8
95.01371	4.0
95.05038	3.7
95.21648	2.2
96.96020	9.7
97.02953	15.9
97.06631	2.7
98.19944	3.6
99.00877	6.6
101.02454	37.0
109.02933	3.6
109.06602	35.6
113.02457	20.7
115.00412	2.8
116.92874	4.9
119.03513	5.5
119.05015	4.1
121.02964	2.5
123.83391	2.4
125.02460	9.2
125.09733	9.4
129.59259	2.5
135.08145	5.4
142.02699	4.9
143.03525	5.2
161.04616	4.2
163.06171	2.5
163.11293	17.2
163.95670	2.5
165.05585	7.1
171.10268	3.5
175.02496	5.4
179.05586	12.4
179.10664	3.0
183.13922	8.6
185.11838	13.4
187.09721	8.0
191.21107	2.4
191.59541	3.0
195.04478	2.2
205.12274	4.4
207.10274	76.6
208.10577	4.4
209.11781	2.9
211.13402	75.6
212.13707	4.1
213.14926	3.9
221.06714	6.8
223.13382	4.5
225.11320	43.1
231.13843	3.2
233.11931	3.2
235.08124	5.2
248.51561	2.3
249.14902	3.0
251.12839	3.9
253.09352	2.8
321.22086	2.7
329.24863	4.1
339.23251	6.4
357.24402	4.7
365.21387	2.6
373.23788	8.4
379.12473	2.9
383.22311	22.9
391.24875	8.5
397.13477	34.3
398.14206	3.7
401.23383	42.4
402.23627	6.4
415.14432	5.3
419.24329	32.0
420.24896	2.9
475.27008	2.7
605.23712	4.6
623.25726	4.3
655.36749	3.1
771.38147	10.5
772.38763	4.8
773.37213	3.3
781.36896	15.8
782.36450	3.3
799.37616	100.0
800.38129	28.6
817.38190	37.4
818.38318	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	818.419
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	96.1
61.98832	43.1
67.09469	3.8
69.03464	5.4
69.43803	35.3
71.01392	44.8
71.05024	7.1
72.99308	4.3
73.02949	39.6
75.00899	7.1
80.96517	15.3
83.01387	6.2
85.02971	22.8
87.00892	25.6
87.04507	4.4
89.02462	23.4
94.98098	5.5
96.96009	13.0
101.02451	52.7
101.32615	4.0
103.04007	10.7
113.02443	16.3
115.04045	4.2
115.07664	5.1
116.92842	7.5
119.03476	7.2
127.11279	11.9
131.03508	13.6
143.03471	12.8
147.05736	4.5
163.06158	43.0
167.14459	36.1
169.12350	55.9
182.39938	3.7
205.07193	20.1
211.13460	45.6
212.13878	4.9
212.16595	17.2
225.00574	4.4
229.14462	100.0
230.14731	6.4
243.15985	10.1
247.08209	17.9
253.14410	9.3
254.17542	4.1
261.74176	4.0
265.09308	5.8
271.15381	8.9
272.18637	8.5
282.50027	4.0
326.23340	4.3
354.86771	3.9
355.96130	3.8
399.20410	8.2
417.21329	55.5
418.21310	8.5
424.30728	60.5
425.31085	8.9
456.13098	4.6
466.31555	16.6
561.25366	4.8
579.27057	6.5
714.63928	4.7
819.52795	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	817.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75032	1.0
59.01383	100.0
60.36317	0.8
61.98834	36.4
71.01388	3.8
71.61644	1.6
72.99288	0.9
73.02956	1.2
78.95931	1.1
79.95774	1.1
80.96526	5.0
89.02457	2.7
97.02969	1.3
99.92554	1.2
101.02484	1.9
112.77042	1.2
116.92867	11.7
117.01951	1.2
141.01712	49.0
142.02097	1.2
143.89896	1.1
189.66190	0.9
200.77386	1.0
248.41701	1.2
253.75717	1.0
255.23785	1.1
277.21692	6.5
359.22031	3.5
397.13492	9.8
398.13803	1.0
415.14493	2.7
419.11853	1.9
437.12857	3.0
523.54535	1.1
675.35175	1.4
697.33783	1.6
817.51965	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	817.387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	3.3
58.00599	4.5
59.01096	4.6
59.01384	82.5
61.98820	8.3
63.78675	3.4
69.03465	5.7
69.69935	19.5
70.83475	2.7
71.01389	66.5
72.99302	6.5
73.02942	7.9
75.00863	7.9
78.95930	3.0
81.03471	4.4
83.01396	4.8
85.02977	15.1
87.00880	18.8
89.02454	44.2
95.01411	5.9
95.05031	6.8
96.96011	14.0
97.02946	14.6
97.06612	5.0
99.00900	9.7
101.02456	40.4
103.49222	2.9
109.06609	34.4
113.02441	18.5
115.03946	4.1
116.92854	7.1
119.03488	12.1
125.02458	12.6
125.09718	13.1
131.03511	3.9
135.08162	5.5
143.03510	6.3
145.02998	3.4
150.06819	4.2
153.20448	3.6
161.04567	9.3
163.06186	4.2
163.07558	3.7
163.11279	14.8
165.05566	11.8
179.05600	10.1
181.12305	3.6
183.13881	11.7
185.11836	11.2
205.12341	6.1
207.10258	67.3
208.02689	3.2
208.10464	4.5
209.11742	4.5
211.13405	82.7
212.13770	7.5
221.06538	4.6
221.15222	5.2
223.13535	4.9
225.11337	37.4
233.11862	5.5
235.08157	4.3
251.12717	6.0
254.02805	4.1
277.17880	3.4
329.24747	5.1
335.17056	3.1
339.23340	8.7
355.22717	6.2
373.23892	7.9
383.22253	22.8
384.23047	3.5
384.48422	3.5
391.24814	9.6
397.13522	35.2
401.23306	33.6
402.23560	8.5
415.14868	6.5
419.24423	25.9
509.31357	3.2
605.24536	4.3
621.18732	4.0
655.40491	9.2
771.38208	6.1
772.39685	6.3
781.36591	13.1
782.36548	8.0
789.38849	4.0
799.37646	100.0
800.37616	33.8
817.38013	41.8
818.39307	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	817.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.9
65.00324	0.9
69.70692	2.8
71.01369	0.4
73.02943	0.5
79.63550	0.5
83.01398	1.0
87.13721	0.5
98.20596	1.0
107.01390	2.7
108.02170	0.7
109.02943	1.8
113.31676	0.4
121.02959	1.0
135.00882	0.8
148.01709	0.8
149.12259	0.4
151.00385	10.4
163.00333	2.3
178.99866	4.9
187.03978	0.5
201.05534	0.8
203.03711	0.5
211.04050	1.5
221.51584	0.4
227.03603	2.1
228.04099	0.5
229.05052	1.0
243.02946	5.0
245.04538	1.7
254.02350	0.8
255.02992	13.8
256.03363	1.7
271.02484	27.7
272.02914	3.2
273.04108	0.9
283.02490	1.9
299.02054	0.9
300.02774	53.5
301.03513	42.0
302.03934	3.0
355.94019	0.5
447.09354	100.0
448.09674	13.5
459.65051	0.4
818.56250	0.5
824.56183	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.0
63.02382	0.4
65.00305	0.8
71.01377	0.3
73.02909	0.4
75.99355	0.4
83.01398	0.7
101.02441	0.5
107.01402	2.6
108.02142	1.0
109.02990	1.8
121.02956	2.2
135.00903	0.6
143.04971	0.4
148.01643	0.9
148.05391	0.4
151.00377	10.6
152.00676	0.5
161.02454	0.5
163.00414	2.5
169.01364	0.4
171.41039	0.4
178.99866	4.8
187.04022	0.5
199.04039	0.5
200.46597	0.4
211.03993	1.0
215.03514	0.4
216.04211	0.4
226.02725	1.0
227.03445	2.1
229.04958	0.9
243.02980	5.2
244.03101	0.4
245.04517	1.5
254.02306	0.9
255.00853	0.4
255.02980	15.0
256.03430	1.4
271.02469	27.5
272.02914	3.2
273.04028	1.4
283.02518	1.0
300.02759	59.0
301.03488	46.6
302.03946	3.2
447.09320	100.0
448.09619	13.2
553.80011	0.4
583.11835	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01405	0.6
61.98833	100.0
62.84750	0.4
69.93163	1.5
71.01390	0.6
79.95744	0.6
80.96523	4.1
89.02451	0.5
90.96175	0.3
94.98119	0.6
96.95958	0.4
98.20006	0.4
112.39045	0.4
135.80565	0.4
139.15807	0.4
145.51482	0.4
148.99152	0.4
199.39616	0.4
211.13370	1.0
225.00851	0.4
266.87833	0.5
284.37439	0.4
312.24506	0.4
344.12167	0.4
503.59351	0.5
574.95801	0.6
662.27808	0.6
735.39307	0.5
816.51367	2.1
817.50983	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09188	0.4
57.58001	0.4
59.01381	3.2
63.96233	1.6
65.69049	0.5
69.03458	1.4
69.50237	2.6
69.50658	0.9
71.01392	10.3
73.02950	2.5
78.98593	8.0
79.95744	18.2
80.96523	100.0
81.03477	0.7
82.99456	0.4
83.01418	0.6
85.02947	3.2
87.00881	3.5
94.98096	21.5
96.96011	1.5
97.02958	2.4
99.00906	0.7
101.02455	2.8
106.98109	4.1
110.28379	0.4
115.96354	0.4
122.97587	5.0
125.02464	3.6
127.03967	0.6
134.97594	6.0
136.99146	1.9
141.01707	0.8
146.97490	0.6
148.99150	8.7
152.98643	7.7
153.75771	0.5
163.98488	0.5
164.98628	15.2
167.00218	0.5
206.99710	3.3
207.23331	0.5
225.00742	18.6
226.01031	0.9
232.97438	0.9
255.23289	1.7
277.21848	1.0
278.22168	0.5
310.11676	0.4
323.56235	0.5
433.33295	0.5
497.26987	0.5
537.27588	1.6
559.25696	2.1
759.38300	0.6
815.49890	88.8
816.50159	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01093	1.2
59.01380	17.1
68.56287	0.8
70.01162	2.1
70.01552	1.7
71.01387	5.8
73.02933	1.2
74.62194	0.8
75.00859	1.4
80.05057	7.3
91.15189	0.8
93.03456	2.0
94.06630	6.5
101.02428	1.7
106.06627	12.5
107.05031	1.9
108.08199	13.8
109.02940	3.3
117.03429	0.8
118.06650	4.3
119.05018	2.7
120.04546	2.0
120.08194	100.0
121.02965	0.9
121.08527	5.2
123.04482	1.2
124.48747	0.8
131.03773	1.2
134.06129	14.1
134.48853	0.7
143.04951	1.0
145.02931	1.4
146.06125	2.0
148.07616	0.7
152.07170	25.3
159.04510	1.7
161.02446	1.9
162.09230	1.0
163.03996	2.3
164.05844	1.4
164.07172	20.4
173.02380	1.1
175.04050	1.7
178.05104	3.2
179.07130	1.0
183.09294	2.4
185.02441	2.9
185.10791	4.9
187.04021	1.7
196.06187	9.4
197.10841	1.0
198.11655	3.5
208.06145	1.5
210.07809	0.9
211.12352	1.3
213.13969	5.1
227.11845	2.8
237.09187	2.3
239.11862	3.1
245.12885	7.9
253.05070	5.3
255.06415	1.2
255.14995	1.0
257.13019	1.7
265.05151	2.5
265.08774	1.0
267.06531	1.9
271.10840	1.5
273.15930	1.0
278.05927	1.2
279.06485	1.3
280.03583	0.8
281.12872	1.1
283.09616	1.5
292.03754	1.2
293.04742	1.1
295.06104	1.6
299.13913	5.7
307.06177	2.6
309.07736	1.5
317.15042	47.7
318.15445	4.9
319.06146	1.0
325.11771	1.4
327.08704	16.2
343.12967	1.4
361.14053	25.6
362.14343	2.6
387.12042	3.1
403.14935	2.3
405.12997	41.6
406.13495	4.2
429.09821	0.9
441.09738	2.4
447.14142	1.8
453.09738	1.3
523.19507	1.4
537.15570	1.1
549.17279	1.5
563.13214	3.6
564.13782	1.8
565.20465	4.1
567.18396	21.4
568.18414	2.8
591.18121	2.8
609.19391	48.2
610.19891	9.6
771.24762	3.7
772.24524	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.9
63.02398	1.3
65.00327	1.1
69.60470	1.9
70.58367	0.3
75.00877	6.1
81.16744	0.2
83.01397	1.0
85.97001	0.3
91.01910	0.4
93.03453	2.2
107.01389	3.6
109.02969	1.0
117.02636	0.6
117.03471	11.8
118.03787	0.6
119.01373	0.4
119.05031	17.2
120.05330	0.7
121.02933	0.5
131.04997	0.7
132.02184	0.7
133.06595	0.3
135.00893	1.4
135.04607	0.3
141.07137	0.3
143.05032	1.4
145.02960	49.6
146.03276	2.9
151.00381	6.6
153.01918	0.5
154.04279	0.4
154.81119	0.3
157.06631	0.7
158.03688	0.3
159.04530	1.6
161.06058	0.7
163.00378	2.3
163.04027	3.7
164.01077	0.3
165.01889	0.5
167.05032	0.6
169.01456	0.4
169.06563	1.0
171.04520	1.2
178.99852	0.7
183.04492	0.5
185.02422	0.4
185.06062	3.0
187.03992	3.4
189.05579	1.1
190.85121	0.3
190.99820	0.3
195.04478	1.0
196.05269	0.6
197.06158	0.6
198.03123	0.4
199.03999	1.2
201.05620	0.8
203.03561	0.5
205.04990	0.6
211.03986	2.7
211.07607	0.5
212.04616	0.8
213.05547	2.1
214.02711	0.3
215.03404	0.6
221.04556	4.5
223.04062	0.5
223.07634	2.2
227.03500	23.7
228.03949	1.9
229.05051	11.0
229.06822	0.2
230.05426	0.8
230.35088	0.3
237.09209	0.4
239.03421	1.3
240.04210	1.2
241.05022	1.8
243.02977	1.2
255.02980	40.4
256.03595	8.4
257.04547	7.4
258.04861	0.8
263.05548	0.6
265.08887	0.4
267.02966	1.0
268.03842	0.3
271.02469	3.1
283.02518	0.8
283.09656	0.3
284.03265	49.6
285.04028	100.0
286.04388	9.6
300.02747	6.2
301.03500	3.6
302.03693	0.4
307.08224	3.0
309.07697	1.4
327.04984	0.5
327.08734	0.4
339.30325	0.3
343.04544	1.8
447.09308	11.3
448.09894	2.1
469.11191	0.7
529.13635	0.8
559.66711	0.3
593.13019	63.5
594.13361	12.9
594.23242	0.5
641.93024	0.3
651.13837	0.5
713.18311	1.9
714.19452	0.6
739.16699	1.2
740.16882	0.4
757.17847	8.2
758.18018	2.0
798.75818	0.3
815.18500	4.8
816.18427	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.1
63.02397	1.3
63.33894	0.4
64.12885	0.4
65.00330	1.1
71.61652	0.5
73.02940	0.4
73.53793	0.4
75.00877	6.8
83.01405	1.3
88.95072	0.3
91.01937	0.4
93.03465	2.8
101.02454	0.6
107.01404	4.2
109.02970	1.6
117.03473	12.8
117.56845	0.3
118.03791	0.5
119.05031	30.2
120.05373	1.5
121.02975	0.9
121.47779	0.4
131.05016	0.6
132.02168	0.8
133.02977	0.5
135.00893	1.3
137.02440	0.5
143.05013	1.4
145.02956	50.4
146.03287	2.7
151.00377	8.5
153.01904	0.8
157.06583	0.9
158.03719	0.5
159.04533	1.5
161.02438	0.9
161.06105	0.7
163.00407	3.9
163.04019	4.0
164.01144	0.6
167.05052	0.9
169.01443	0.9
169.06575	1.1
171.04507	1.1
178.99881	1.6
183.04585	1.1
185.06071	2.4
187.04002	2.9
189.05516	1.1
195.04486	1.1
197.06032	0.9
198.03250	0.5
199.03970	0.7
201.05666	0.8
203.03627	0.6
205.05095	0.6
211.03989	2.7
212.04828	0.5
213.05437	2.1
214.02666	0.4
214.05902	0.5
215.03438	0.6
221.04539	4.8
223.04102	0.5
223.07684	2.8
226.02887	0.5
227.03508	25.6
228.03940	2.0
229.05049	11.1
230.05460	0.6
239.03470	1.5
240.04131	1.2
241.05034	1.7
243.03021	1.7
247.07774	0.4
255.02980	47.3
256.03589	8.1
257.04529	8.2
257.07053	0.7
258.04922	0.9
263.05563	0.6
265.08862	0.5
267.03012	1.1
269.04547	0.6
271.02469	8.8
272.02985	0.8
283.02435	1.0
284.03259	49.4
285.04031	100.0
286.04388	10.0
300.02759	16.9
301.03506	11.1
302.03821	1.1
307.08136	2.8
309.04297	0.6
309.07465	1.9
310.07947	0.4
327.05038	0.4
343.04538	1.7
374.39902	0.4
376.25186	0.4
381.10718	0.4
447.09326	28.8
448.09543	3.7
469.11337	0.9
471.13010	0.4
507.09509	0.4
593.13000	67.6
594.13348	14.0
594.23145	0.6
651.12909	0.6
713.18744	1.8
714.18884	0.4
739.16656	1.5
757.17834	7.0
758.18213	1.9
815.18237	4.2
816.18945	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41487	0.1
61.98832	100.0
71.16647	0.3
75.00900	0.3
80.96518	0.4
86.00304	0.2
132.73517	0.1
138.76218	0.2
164.98662	0.1
167.74821	0.1
223.13530	0.3
225.00851	0.2
345.00742	0.2
815.50128	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.3
60.55275	0.2
63.02411	1.3
65.00334	1.1
68.13846	0.2
69.29201	2.1
69.29609	0.4
75.00880	6.1
81.75954	0.2
83.01383	1.0
91.01896	0.5
93.03473	2.9
95.01398	0.5
101.02446	0.5
107.01402	3.1
109.02950	1.4
113.02435	0.3
117.03472	11.7
118.03792	0.6
119.01418	0.3
119.05034	14.8
120.05379	0.7
121.02972	0.4
131.04990	0.5
132.02176	0.7
133.02965	0.4
135.00868	1.7
135.04558	0.4
143.05075	1.4
145.02963	43.9
145.64166	0.3
146.03314	2.3
151.00375	6.0
153.01973	0.4
154.04254	0.3
157.06601	1.0
158.03722	0.6
159.04538	1.8
159.13448	0.3
161.06125	0.7
163.00377	2.8
163.04024	4.7
164.01111	0.8
165.01904	0.4
167.05002	0.7
169.01430	0.8
169.06641	1.1
171.04501	1.0
173.02446	0.3
173.06038	0.3
178.99867	0.5
182.03802	0.4
183.04446	0.5
184.05354	0.4
185.06087	1.8
187.04013	3.3
189.05594	1.1
195.04526	0.9
196.05348	0.3
197.06088	1.0
197.34595	0.3
198.03218	0.5
199.04019	1.1
200.04683	0.3
201.05576	0.7
203.03505	0.5
205.05101	0.7
211.04019	2.8
211.07654	0.5
212.04648	0.5
213.05556	2.3
214.02654	0.5
215.03487	0.6
221.04573	4.3
222.04993	0.3
223.04118	0.3
223.07622	2.1
226.02827	0.3
227.03508	22.7
228.03857	2.0
229.05054	11.2
230.05367	1.1
237.09148	0.4
239.03452	1.8
240.04170	0.9
241.04999	1.5
243.03003	0.9
247.07649	0.3
255.02994	38.5
256.03598	6.9
257.04556	6.8
258.04874	0.7
263.05600	0.4
265.06845	0.5
267.02991	0.5
269.04617	0.4
271.02493	2.4
272.02988	0.3
283.02533	0.5
284.03271	45.9
285.04034	100.0
286.04391	9.1
291.06705	0.4
300.02747	4.5
301.03491	3.6
302.03864	0.4
307.08319	3.1
309.04187	0.4
309.07681	1.1
327.05078	0.3
343.04449	1.6
344.68491	0.3
359.40579	0.3
447.09363	10.8
448.09830	1.4
469.11386	0.7
523.87305	0.3
529.13367	0.7
593.13019	57.2
594.13348	11.7
713.18909	1.5
714.19122	0.5
739.16016	1.2
757.17798	7.7
758.17871	1.8
815.18372	4.8
816.18732	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41487	0.1
61.98832	100.0
71.16647	0.3
75.00900	0.3
80.96518	0.4
86.00304	0.2
132.73517	0.1
138.76218	0.2
164.98662	0.1
167.74821	0.1
223.13530	0.3
225.00851	0.2
345.00742	0.2
815.50128	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
62.98544	0.2
71.61251	0.2
80.96518	0.4
117.58268	0.2
119.82887	0.2
136.21771	0.2
241.77800	0.2
312.22357	0.2
383.63348	0.2
815.50775	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.4445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.3
61.98832	100.0
66.24976	0.2
66.82269	0.2
70.10728	0.4
70.11137	0.7
86.04636	0.2
88.98831	0.4
89.02454	0.2
98.20502	0.3
98.86404	0.2
207.10374	0.3
261.93985	0.2
277.21774	0.3
812.13983	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.1162
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99812	1.1
70.18362	2.3
70.18690	0.6
70.90320	0.6
72.99284	1.0
75.00877	36.1
93.03474	3.7
99.00892	0.7
109.02970	8.8
117.03468	13.9
118.99867	1.5
119.05037	8.8
120.05401	0.7
121.02955	1.5
123.04506	3.2
130.04242	1.0
131.05058	3.6
133.02969	5.2
133.06592	1.7
135.04613	0.7
145.02960	100.0
146.03294	5.5
147.04526	5.4
159.04520	2.0
161.02473	3.3
163.04070	5.0
175.03969	5.7
177.05591	7.2
193.05016	1.1
203.03516	26.8
204.03777	1.4
221.04550	37.9
222.04860	2.0
223.07684	6.1
237.04120	1.1
237.09219	1.1
247.07759	0.8
254.03568	0.8
265.08701	1.8
281.03052	0.8
291.06808	1.5
297.11197	1.0
305.08167	1.4
309.07654	5.1
310.07959	0.9
314.81500	0.6
315.55655	0.7
323.09314	4.6
367.08286	1.9
368.31757	0.7
381.09415	1.2
469.07755	5.8
470.08304	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.4083
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03325	0.2
58.76321	0.2
59.01369	0.4
61.98833	100.0
62.98544	0.3
70.63782	0.4
99.92606	0.9
114.93459	0.4
116.92870	8.5
117.01945	0.3
164.20380	0.2
209.11783	0.2
223.13412	0.5
235.97855	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	14.1
61.98826	19.9
66.64153	2.1
69.03445	2.4
70.93032	5.6
71.01392	6.7
71.05057	2.2
89.02462	2.8
94.70365	2.4
98.20316	2.5
101.02468	4.9
103.31192	2.1
105.70671	2.0
109.06609	3.3
111.08165	8.2
113.02489	3.1
113.70941	2.3
121.06553	2.3
132.24069	2.3
152.46416	2.0
167.10785	3.4
169.12399	2.6
179.14352	2.8
183.01227	21.6
195.13921	8.3
197.11861	42.4
205.12289	10.3
207.10217	2.5
211.13445	7.1
222.92279	2.1
223.13403	100.0
224.13745	9.3
235.08136	6.7
253.09274	20.3
263.20212	2.4
291.19644	17.8
297.15305	67.6
297.20517	3.0
297.24051	2.7
298.15622	6.7
309.20749	55.9
310.20947	5.5
343.21191	3.8
459.22519	14.7
751.41425	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	811.449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	13.9
61.98828	12.1
69.03453	2.2
69.49548	10.8
71.01380	6.5
73.02952	2.1
73.19913	1.2
75.45136	1.3
85.83115	1.5
89.02450	3.2
97.02963	2.2
101.02457	5.7
105.15537	1.3
109.06618	2.4
111.08139	8.0
113.02425	2.1
116.92859	2.8
149.09723	1.6
161.04512	1.7
165.56694	1.3
167.10756	2.8
169.12328	3.1
179.05588	2.6
179.14441	4.1
186.07045	1.3
195.13930	10.9
197.11844	42.8
198.12163	2.2
199.13435	3.2
205.12346	11.4
211.13379	7.2
223.13403	100.0
224.13777	6.9
227.13004	1.7
235.08174	4.9
253.09300	22.1
254.09619	1.6
263.20276	1.7
273.18832	1.7
291.19650	22.0
309.20740	70.2
310.20871	8.6
426.86905	1.5
459.22290	11.3
460.22742	1.8
545.29791	4.0
751.43311	4.1
804.09692	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	13.4
59.16855	1.4
69.03455	3.5
70.67135	3.4
71.01383	28.7
72.99318	10.3
73.02953	12.2
75.00878	38.5
81.03460	5.6
83.01386	3.1
83.05039	15.5
84.85628	1.8
85.02963	2.9
87.00878	4.9
93.03465	21.3
95.01379	2.4
95.05029	2.4
98.20580	2.1
99.00866	3.8
101.02451	8.6
104.03449	1.5
109.02931	6.5
110.03720	4.1
111.04527	42.4
113.02412	4.2
118.09580	1.5
118.99865	30.5
121.02959	36.0
133.02937	2.3
135.04504	4.8
139.04021	68.4
145.02942	2.6
146.03682	4.4
147.04497	6.2
148.05287	2.5
149.06030	3.3
158.03740	5.9
159.04535	26.9
160.05238	7.5
161.02373	2.6
161.04570	3.7
161.06041	3.3
163.03979	3.1
169.06598	1.7
172.05301	34.2
173.06081	40.2
174.03223	3.6
174.06737	8.4
175.03952	2.3
175.07544	6.9
176.04814	4.2
183.04512	2.2
184.05273	2.1
185.06088	4.8
186.06769	3.8
187.04033	8.3
187.07648	86.3
188.04799	22.8
188.08060	9.5
189.05547	6.4
189.09241	18.8
191.03503	4.4
192.04298	2.1
196.05257	4.0
197.06100	15.8
198.06847	7.2
199.04002	5.1
199.07581	4.9
200.04767	6.5
201.05492	4.0
201.09238	24.5
202.06325	7.4
203.07060	4.7
203.10783	1.7
204.04237	4.8
204.07857	3.4
205.08670	5.6
212.04793	1.6
213.05525	6.7
213.09137	10.2
214.06258	5.1
215.07149	26.2
215.10699	4.6
216.04327	13.3
216.07802	7.0
217.08691	80.1
218.09096	6.7
225.09207	10.8
227.03482	11.2
227.07155	3.7
227.10782	23.9
228.04298	4.8
228.11162	3.3
229.08627	10.2
231.06607	7.7
231.10249	15.4
241.08691	2.1
243.10255	13.0
245.08165	49.6
245.11812	30.4
246.08479	6.0
246.12117	3.9
257.08182	63.6
258.08508	4.9
261.11337	20.8
271.02530	3.9
271.09802	26.9
272.10132	2.8
272.98163	1.7
275.09293	9.6
289.07175	21.6
289.10797	100.0
290.08032	2.8
290.11130	10.9
300.02826	6.4
301.03458	6.1
315.08707	3.4
333.09842	27.3
334.10120	3.5
343.50458	1.8
377.08676	13.1
433.07809	14.0
487.97192	1.9
548.00922	2.2
735.72858	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	810.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
62.98540	0.1
80.96517	0.1
99.92615	0.2
116.92871	1.6
133.65302	0.1
226.48141	0.1
235.44298	0.1
306.29306	0.1
314.12326	0.1
395.95749	0.1
717.54980	0.1
750.44629	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.5018
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
63.97693	0.4
69.90654	0.9
69.91051	0.9
98.33035	0.4
108.48743	0.4
122.63662	0.6
324.66324	0.5
508.38593	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4982
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98841	100.0
71.18764	16.0
71.30309	30.8
81.04884	16.9
171.32553	15.3
218.28957	16.4
228.31190	15.2
244.76141	18.1
261.34222	19.1
277.21643	18.1
290.75125	16.3
367.67230	18.1
664.61835	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	809.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	2.1
59.01387	28.9
61.98845	2.1
69.03460	2.7
69.05737	1.1
71.01395	8.4
73.02977	1.3
75.00895	1.7
81.03470	1.9
83.01400	2.4
83.05035	2.0
85.02962	2.2
87.00883	2.5
89.02435	6.1
89.12778	1.3
90.71626	1.1
93.03482	1.6
95.05029	1.2
96.96037	1.7
97.02969	1.9
97.06599	5.7
101.02447	8.2
106.04305	1.2
109.06598	1.6
113.02452	3.1
116.92886	2.7
119.03519	1.3
123.04518	1.9
123.08138	1.4
125.02471	1.5
125.09722	6.5
126.10104	1.1
135.08078	1.4
137.09740	4.2
141.12923	1.5
143.03682	1.1
149.31111	1.0
161.04620	2.8
163.07719	1.3
163.11278	7.7
167.10831	3.8
177.05557	2.7
179.10616	1.2
179.14429	3.3
185.11908	7.3
191.14479	6.6
195.13908	10.9
205.12325	11.8
207.10321	3.8
209.11856	17.8
211.13234	1.4
223.13405	100.0
224.13718	8.1
225.11325	2.0
229.50926	1.3
235.08244	3.5
237.11447	3.1
245.19096	13.9
246.19458	1.4
253.09308	19.7
254.09598	1.3
263.20132	4.1
271.17184	3.0
289.18121	67.9
290.15555	1.4
290.18369	7.1
307.19180	64.2
308.19537	4.9
327.19727	1.1
415.25052	1.7
459.22403	4.9
495.30902	2.6
513.32129	2.2
525.26849	2.3
543.28088	2.5
633.32825	8.0
634.33069	2.3
651.33728	3.1
652.34674	1.6
704.77350	1.2
713.38672	3.1
731.40186	2.1
749.41589	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	809.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.8
59.01384	27.3
61.98842	7.3
69.03468	3.5
69.43559	12.3
71.01391	9.2
71.68520	1.4
73.02937	1.7
74.46526	1.4
81.03467	1.7
81.56547	1.4
83.04994	2.4
85.02943	2.6
87.00903	1.9
89.02466	4.0
90.55019	1.4
91.28665	1.4
95.05050	1.9
96.96014	2.2
97.02911	2.2
97.06591	4.7
101.02457	6.2
111.08138	3.3
113.02423	2.5
114.93419	1.4
116.92919	1.7
125.09721	2.0
149.09818	2.6
151.11273	4.7
153.09222	1.8
153.12814	1.6
153.14261	1.5
159.63783	1.5
161.04590	2.5
161.95441	1.4
165.12833	5.3
167.10767	4.8
171.10271	2.4
179.10730	2.8
179.14430	3.5
181.12354	5.1
191.10756	1.9
195.13901	16.1
196.14340	2.1
205.12363	12.8
209.11812	18.7
221.98772	1.6
223.13400	100.0
224.13606	9.0
227.12869	4.4
230.18015	1.9
235.08266	4.8
242.09396	1.6
245.19078	4.3
253.09322	9.1
263.20215	8.5
279.19766	1.7
289.18024	10.9
291.19620	2.7
293.21243	2.0
307.19193	42.6
308.19504	5.0
314.79303	1.5
445.20941	9.2
446.21548	1.6
459.22250	6.6
525.26910	4.0
543.28027	9.0
595.31696	2.5
651.33698	3.2
749.42487	3.4
833.17834	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	808.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
68.41243	0.2
71.52859	0.4
95.75527	0.2
130.83461	0.2
155.69798	0.2
185.28160	0.2
216.74492	0.2
228.87558	0.2
304.05209	0.2
387.34396	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.4855
Annotation	Unknow
Peak:m/z	Relative Intensity
59.14089	0.1
61.98833	100.0
62.98540	0.2
70.84072	0.1
70.84406	0.1
82.63571	0.1
146.83577	0.1
295.71732	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.4496
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
69.49862	1.1
73.94681	0.1
80.96546	0.1
95.93032	0.1
124.63802	0.1
188.26505	0.1
221.61740	0.2
223.13510	0.3
417.63962	0.1
678.33795	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01720	2.1
60.10864	0.8
61.98845	3.7
69.29910	4.7
69.30312	2.0
71.01386	1.0
72.03053	0.9
81.33769	0.7
98.20604	1.2
103.04714	0.9
141.01709	52.8
142.02130	0.9
142.05119	1.5
154.15227	0.8
223.13495	3.0
245.11826	1.2
257.73370	0.8
263.99631	0.7
290.31921	0.8
363.88815	0.8
387.43796	0.8
481.19666	2.8
790.25244	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	25.2
61.98834	5.5
68.61254	1.1
71.01386	7.2
71.60758	1.7
78.95899	1.8
80.02696	1.6
80.96507	1.7
81.03452	1.5
82.13380	1.2
83.05067	4.0
85.02952	2.6
87.00883	2.4
89.02456	4.7
92.41621	1.3
97.02976	5.6
101.02444	6.6
109.06602	37.5
110.06954	2.5
113.02460	2.8
119.03507	1.3
121.06593	1.7
125.09727	1.6
135.08160	4.5
136.05287	2.1
142.02644	1.3
161.04558	1.9
163.11301	19.4
164.11613	1.8
169.60727	1.2
171.10269	6.4
181.12361	4.2
189.09193	4.2
207.10269	100.0
208.10657	7.0
209.11893	1.5
225.11331	36.0
226.11584	2.0
235.08247	2.9
253.09268	12.5
254.09729	1.9
255.23285	3.5
259.24304	2.7
295.22723	2.0
303.23322	69.1
304.20474	1.0
304.23630	8.0
397.13583	2.9
443.19391	7.0
461.20255	15.8
467.34973	2.5
531.21600	1.3
608.35840	1.2
729.42188	2.6
747.43213	26.8
748.43652	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	805.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59095	1.2
59.01385	2.7
61.98832	10.0
62.11821	0.9
62.42582	1.0
71.01383	1.3
71.61263	1.2
75.00887	1.4
79.66775	0.9
88.98800	1.2
94.38486	1.2
94.47584	1.0
96.81863	0.9
109.02962	1.7
115.05556	1.7
130.04257	2.8
131.05057	6.0
135.04535	18.6
136.04861	1.1
141.73451	1.0
143.05029	1.7
145.82477	1.2
146.03767	1.3
158.03738	4.0
159.04527	77.3
160.04881	4.5
161.02466	3.1
173.06053	1.2
197.06035	1.8
201.05591	6.4
203.03444	2.3
207.43091	1.1
213.22708	1.1
216.79369	1.0
225.05556	4.2
226.06197	1.1
239.07202	3.7
245.04549	11.4
246.04932	1.1
261.18512	1.7
305.17624	1.4
353.20773	1.2
379.22803	6.6
395.22284	16.2
396.22626	2.8
399.21762	4.3
441.22797	9.7
442.23148	1.4
467.20651	3.0
485.21967	5.7
543.21448	1.3
559.25494	100.0
560.25848	23.1
835.50922	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	8.6
59.40704	2.4
65.03976	3.3
65.93356	2.5
67.62334	3.0
69.03479	5.1
69.74273	3.1
70.06687	11.7
71.01387	32.0
72.99302	12.0
73.02953	7.3
75.00867	31.6
81.03461	8.9
83.05035	14.8
85.02950	4.0
93.03468	21.0
98.20597	3.4
99.00860	2.9
101.02490	3.8
109.02938	5.8
110.03739	5.0
111.04523	40.0
113.02480	2.9
118.99868	20.5
121.02972	37.1
123.47988	3.0
135.04494	11.8
139.04027	78.7
140.04298	2.9
145.03008	3.3
146.03699	5.9
147.04492	8.6
148.05273	3.6
149.06030	5.1
158.03711	4.7
159.04504	26.8
160.05293	4.2
161.06123	4.1
172.05313	31.5
173.06088	38.1
174.06725	5.3
175.07623	9.9
176.04716	6.7
184.79622	2.8
185.06114	5.9
186.06940	4.2
187.04004	8.8
187.07648	81.4
188.04808	26.4
188.08223	6.4
189.05426	4.4
189.09248	25.7
189.26447	3.4
190.09344	3.1
192.04214	3.1
196.05347	3.6
197.06117	13.6
198.06755	6.3
199.03915	8.1
199.07680	3.5
200.04756	4.0
201.05518	6.2
201.09224	26.5
202.06334	9.0
204.07797	5.9
205.08647	12.7
213.05565	7.9
213.09169	9.2
214.06349	6.1
215.07146	32.5
215.10916	3.5
216.04240	14.9
216.07825	4.3
217.08687	91.2
218.08984	4.0
225.09163	8.9
227.03491	7.0
227.07207	3.5
227.10756	29.6
228.04222	5.2
229.08636	11.4
231.06599	6.9
231.10309	15.1
243.10165	16.5
245.08206	45.4
245.11833	27.3
257.08179	52.7
258.08447	5.0
261.11359	21.5
262.11707	4.1
271.02432	7.2
271.09729	26.7
275.09204	6.2
289.07224	20.7
289.10800	100.0
290.11182	9.8
300.02640	11.3
301.03482	12.3
333.09641	13.3
377.08704	7.3
378.77072	3.0
460.50266	2.8
463.08606	7.8
775.39246	3.0
805.17468	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	803.5642
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
62.98558	0.2
69.43987	1.1
69.44402	0.4
75.00883	0.8
80.96520	0.6
98.19880	0.2
102.90969	0.2
106.42232	0.2
116.92854	0.5
118.99864	0.2
172.05338	0.2
178.02876	0.2
191.03569	0.3
199.04033	0.2
227.03586	0.6
228.04095	0.2
255.23372	0.6
283.13342	0.9
294.28003	0.2
307.19498	0.2
309.15030	0.5
353.14044	0.6
683.41290	1.6
684.42175	0.3
701.42847	0.3
715.43427	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.162
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65570	0.4
58.67758	0.5
59.01376	0.8
65.00321	2.0
66.37502	0.5
70.09122	1.2
70.09528	1.2
81.39808	0.4
83.01393	0.8
90.50462	0.5
91.01894	2.7
93.03460	1.7
107.01404	2.0
108.02211	1.0
109.02960	14.3
119.05000	0.7
120.49751	0.5
121.02965	2.2
125.02454	0.6
131.04980	0.7
135.04521	0.7
143.05046	9.0
144.52263	0.5
145.02904	1.1
146.03722	1.7
147.04521	2.1
151.00378	8.6
159.04546	0.8
161.02386	1.1
163.00394	1.9
178.99883	3.8
187.03864	0.5
191.03474	1.4
211.03951	0.8
211.07544	0.7
226.02559	0.9
227.03427	2.0
235.07642	3.7
241.90015	0.5
243.02939	6.1
245.04565	0.9
249.89638	0.5
251.07088	2.6
253.08702	24.9
254.02185	2.2
254.09038	1.4
255.02991	14.8
256.03403	1.4
271.02484	35.5
272.02869	3.5
273.04031	0.8
283.02390	0.9
297.07663	8.8
298.08005	1.3
299.01974	0.6
300.02765	72.4
301.03482	38.1
302.04120	2.5
316.02371	0.6
347.22742	0.5
421.82782	0.5
463.08847	100.0
464.09183	13.0
625.12860	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79849	0.3
59.01384	18.2
61.98837	1.7
69.97707	0.3
71.01391	1.8
71.60844	0.4
71.90528	0.2
73.02951	0.9
75.00880	0.7
83.01427	0.3
85.02962	0.7
89.02450	1.3
93.03465	0.6
99.07048	0.2
101.02467	0.8
107.01384	0.3
113.02442	0.8
113.87397	0.3
119.05035	100.0
120.05372	4.4
145.02950	0.4
150.56291	0.2
151.00403	0.5
152.03548	2.0
161.04607	0.8
163.04019	0.3
177.05571	0.5
179.05649	0.7
203.08261	0.3
253.05241	0.3
271.06165	1.2
279.03049	0.8
323.11346	1.4
344.18143	0.3
433.24570	2.4
434.24982	0.6
586.93542	0.3
762.39246	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	36.2
63.02391	6.3
65.00322	7.9
69.27533	23.4
69.27950	7.8
71.01398	7.2
72.95213	3.1
75.00889	11.7
80.63121	2.8
83.01401	8.0
101.02458	5.2
107.01403	15.0
107.05026	45.5
109.02966	32.8
115.08292	2.6
121.02968	13.1
125.02451	8.9
131.45827	3.2
133.02937	4.6
135.04532	4.2
145.02945	5.5
147.04543	4.8
149.02477	4.3
151.00386	49.1
152.01041	4.7
159.00912	9.3
159.04543	7.1
161.02451	28.6
163.04089	3.1
169.01482	5.3
173.02541	4.4
174.03174	3.2
175.00449	7.0
176.01123	6.9
177.01920	9.0
177.05533	4.9
178.99883	35.7
189.01828	3.9
192.00705	3.4
201.01781	3.5
202.99864	54.3
203.03604	3.3
204.04196	7.6
211.04082	7.2
213.09117	3.7
216.00629	18.2
227.03496	26.5
228.03961	4.6
235.02501	13.5
237.03943	4.0
239.03595	7.6
240.04190	5.6
243.02963	4.7
247.02460	3.4
253.05092	6.6
255.02922	33.7
256.03644	8.0
257.04474	3.5
264.04266	3.4
267.02957	6.9
269.04529	3.8
271.02505	11.1
279.03052	13.5
280.03708	7.4
281.00955	3.4
281.04630	8.6
282.01733	4.0
283.02548	22.1
284.03317	36.4
285.04010	12.0
295.02441	24.4
296.03070	8.0
297.04117	10.2
299.02026	4.9
300.02814	19.4
301.03531	38.5
302.03806	6.5
307.02518	50.4
307.05911	2.5
308.03049	12.8
309.04111	6.9
311.02139	17.0
312.02637	5.1
322.98520	4.1
323.02032	38.3
324.02679	18.1
325.03537	14.3
335.01910	7.0
351.98318	6.0
352.02267	64.4
353.02979	70.5
354.03372	8.9
384.04874	65.2
385.05597	52.5
386.05704	4.5
388.27081	3.1
421.05801	4.8
433.07437	7.4
447.09396	54.8
448.09717	7.6
458.53278	2.9
463.06741	75.1
464.06870	11.4
495.09323	32.7
496.09433	4.5
578.49371	3.9
609.12805	5.4
661.14203	35.1
693.16742	100.0
694.17291	18.4
771.18243	4.7
803.20361	70.7
803.33936	5.8
804.21442	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34666	0.9
56.75383	0.8
59.01385	100.0
60.01702	1.1
61.98831	2.5
65.18565	0.8
67.67774	1.0
70.44038	3.2
71.01383	13.5
73.02940	3.8
75.00880	1.4
83.01405	1.4
85.02953	6.7
86.22979	1.0
87.00856	1.6
89.02441	2.5
95.19734	1.3
96.96010	4.8
97.20625	1.1
99.00899	1.3
101.02452	8.1
109.02965	1.2
113.02459	4.6
116.92842	2.3
121.02930	1.0
145.02995	1.3
161.04521	4.6
163.06181	1.1
165.05563	1.2
245.04648	1.6
315.18182	11.0
357.19122	3.6
391.96875	0.9
516.97546	1.1
641.41711	1.3
662.60864	1.0
805.14020	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	18.0
60.01694	0.2
61.98829	0.9
67.98421	0.2
69.42504	1.9
71.01355	0.6
73.02950	0.4
75.00875	0.4
83.01361	0.2
89.02453	0.3
93.03460	0.9
101.02406	0.4
107.01394	0.7
113.02450	0.6
113.94882	0.2
119.05031	100.0
120.05356	5.0
145.02936	0.4
151.00389	2.3
152.03564	2.0
161.02493	0.2
177.01921	0.3
177.05589	0.4
185.11760	0.3
186.52660	0.2
229.06096	0.2
269.03995	0.2
271.03027	0.4
271.06113	7.9
272.06436	1.2
279.02985	0.4
300.02890	0.3
323.11386	0.8
347.17557	0.3
389.18307	0.3
433.11377	0.5
433.24533	0.8
733.38855	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68095	0.3
59.01381	18.1
61.98831	1.6
71.01397	1.5
71.38368	0.5
73.02963	0.3
75.00878	0.8
83.01364	0.3
89.02470	1.6
93.03442	0.7
101.02446	1.2
113.02449	0.7
119.05029	100.0
120.05369	4.6
122.22869	0.3
145.02934	0.6
151.00397	0.5
152.03532	2.0
161.02454	0.5
179.05620	0.7
271.06125	1.9
279.03107	0.6
323.11368	0.9
433.24359	2.6
644.88562	0.3
772.78302	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.5
59.21788	0.1
66.85753	0.1
72.96206	0.1
73.02991	0.1
77.69385	0.1
86.04305	0.1
88.40081	0.1
91.05583	0.1
93.03454	0.6
98.19731	0.2
117.03493	0.1
119.05035	100.0
120.05367	4.4
130.14435	0.1
135.00916	0.1
136.97926	0.1
143.33421	0.1
151.00398	0.1
163.00401	0.2
177.62589	0.1
185.06110	0.1
187.04027	0.2
211.04027	0.2
212.25102	0.1
213.05499	0.1
227.03516	4.1
228.03923	0.4
229.05060	0.7
239.03461	0.1
240.04141	0.1
241.05144	0.1
255.00920	0.1
255.02985	5.9
256.03519	0.9
257.04639	0.5
284.03268	6.5
285.04037	7.9
286.04349	0.7
323.11349	0.5
427.18152	0.1
431.09839	10.8
432.10123	1.5
570.71741	0.1
622.70886	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12621	0.3
58.01308	0.4
59.01397	0.6
59.72352	0.4
66.18251	0.3
69.55059	0.3
72.00912	11.8
74.02489	1.2
74.13889	0.4
93.03465	1.4
100.00417	29.5
101.00765	0.5
116.05071	8.5
117.03476	15.2
119.05035	99.6
120.05378	4.4
130.06630	5.7
142.06635	47.8
143.07028	2.5
145.02963	67.1
146.03317	3.9
146.06133	1.6
147.04507	1.0
147.49185	0.4
150.05637	0.7
157.07697	3.6
158.06224	0.5
159.09290	2.7
161.04846	0.5
174.05685	0.7
176.07214	1.9
181.07721	1.6
185.07190	2.4
186.05618	21.8
187.05931	1.1
188.11337	0.5
190.07457	0.5
203.08275	7.9
220.06296	0.9
229.06187	93.0
230.06519	6.3
232.08519	1.0
244.08664	0.4
305.12894	1.9
349.11938	100.0
350.12268	12.2
454.18542	0.5
554.71411	0.4
632.24542	0.5
634.25098	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
62.22976	0.2
75.00901	0.3
77.69059	0.2
78.95904	0.3
99.53400	0.2
116.92858	1.1
117.92838	0.4
126.96313	0.2
152.75659	0.2
162.84731	0.2
200.95122	0.2
211.13393	0.4
237.17491	0.2
282.10373	0.2
294.21863	0.2
314.91003	0.2
409.11682	0.2
520.15649	0.2
546.68292	0.2
618.95203	0.3
778.80835	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99821	1.5
71.61359	1.6
75.00876	34.7
93.03465	8.0
109.02954	11.0
116.65464	1.2
117.03476	15.0
119.05032	9.7
123.04559	2.5
130.04179	1.5
131.05052	5.9
133.02982	5.4
133.06612	3.2
145.02957	100.0
146.03322	5.3
147.04503	7.8
156.65260	1.3
159.04517	2.7
161.02379	2.3
163.03979	5.1
171.04504	1.3
173.06067	1.3
175.04027	6.4
177.05576	22.2
178.05954	1.6
189.05663	1.3
194.55769	1.3
203.03539	25.0
204.03793	1.6
221.04564	33.5
222.04903	1.5
223.07649	4.9
259.22525	1.3
279.10031	1.8
281.02994	1.3
291.06952	1.4
305.08200	1.5
305.69406	1.3
309.07715	5.7
323.09229	4.6
323.13190	1.6
359.60760	1.3
469.07681	5.1
603.55212	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	797.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	1.0
71.61224	0.3
72.99313	0.7
75.00874	1.4
81.25207	0.2
83.01392	1.4
87.00889	0.3
93.03464	23.0
94.03815	0.3
102.54425	0.2
103.05506	0.2
106.04234	0.4
107.05038	1.0
109.02943	0.6
111.00880	0.4
115.00378	0.4
117.03470	1.4
118.99868	4.2
119.05029	9.8
120.05352	0.4
121.02976	1.1
121.06616	1.0
130.04253	1.6
131.05042	9.5
132.05713	0.3
133.02982	0.3
133.06599	7.7
134.03757	0.4
134.06964	0.5
135.04550	1.0
139.00388	0.4
145.02965	7.4
146.03369	0.3
147.04532	16.4
148.04823	1.0
149.06087	5.7
150.02888	0.2
150.06404	0.5
156.00575	0.4
157.01462	0.7
158.03754	2.2
159.04526	7.3
160.04874	0.4
161.02446	0.6
163.03998	1.7
174.01683	0.3
175.02472	0.6
175.04012	2.7
176.04784	0.2
177.05577	100.0
178.05911	5.7
181.64706	0.2
187.63434	0.2
188.20175	0.2
191.03537	0.3
193.05049	0.5
203.03371	0.2
207.06693	0.4
221.04558	1.5
265.03534	9.9
266.03864	0.8
307.08218	2.9
308.08691	0.4
436.45111	0.3
469.13470	0.8
513.12189	0.5
538.15009	0.2
749.57184	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18034	0.3
59.01373	0.7
61.98836	3.1
65.93397	0.3
72.99313	0.4
73.02940	2.9
75.00854	0.4
92.92783	0.8
99.00907	0.4
99.92590	11.7
99.93250	0.7
100.92614	0.6
109.02955	5.9
109.06577	0.3
114.93439	0.3
116.92870	100.0
116.97243	1.7
117.01947	5.3
117.92878	4.5
167.50896	0.4
209.11833	0.5
291.19852	0.4
352.74734	0.3
355.38181	0.3
542.24219	0.3
564.74768	0.4
592.05688	0.3
744.00891	0.3
794.52173	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.1211
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11302	2.0
58.92665	1.8
59.01381	2.8
66.19732	2.1
68.61957	1.8
69.28735	22.6
69.48852	2.0
72.99328	6.8
75.00877	100.0
79.29109	1.8
89.02453	3.0
92.19585	2.1
93.03445	27.5
95.88414	2.0
98.20577	4.9
99.00906	3.9
109.02975	9.6
109.93745	2.2
117.03473	17.2
118.99872	6.1
119.05033	26.6
121.02954	4.3
123.04516	3.4
131.05051	11.1
133.02936	6.6
133.06612	10.4
135.04530	3.6
145.02957	93.7
145.06615	2.7
146.03276	4.9
146.74385	2.3
147.04543	30.0
149.06055	3.8
159.04518	9.1
163.04063	5.5
171.04536	2.6
173.06131	4.2
175.04016	46.0
177.05569	72.4
178.05830	3.5
185.06104	2.5
189.05563	3.2
191.07195	3.4
203.03549	24.5
217.05017	6.3
221.04546	28.0
222.04829	2.7
223.07753	10.4
248.26776	2.3
265.03558	6.3
265.08633	2.7
279.10223	7.9
297.11343	4.2
305.08243	3.1
307.08304	2.2
309.07599	4.8
323.09229	9.2
323.13470	9.5
336.11383	2.5
341.10370	6.0
381.09711	5.4
443.09943	3.1
469.07724	3.7
699.79401	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	795.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	0.6
69.40079	0.8
69.40496	0.4
73.02950	2.5
75.00854	0.2
99.00867	0.5
99.92588	12.0
100.92576	0.8
100.93316	0.2
114.93420	0.5
116.92864	100.0
116.97243	2.1
117.01942	4.2
117.92876	6.3
255.17393	0.1
338.33878	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.2
61.98830	4.0
69.54907	10.7
71.01407	1.9
72.47466	1.4
75.00863	3.2
80.36777	1.4
82.02985	10.7
84.95967	1.2
88.98816	1.5
91.89367	1.4
92.05003	1.3
93.11835	1.2
101.02483	2.2
108.04585	2.0
108.08205	1.9
112.04012	2.0
112.35786	1.5
116.43851	1.3
119.05049	1.4
120.04566	2.8
122.09766	4.1
134.98506	1.3
138.05551	1.9
145.51152	1.3
147.03296	2.5
148.02924	2.2
148.04063	27.4
149.04825	10.0
150.05618	46.0
151.05945	2.9
154.05090	4.8
155.50998	1.3
160.04068	3.6
161.04849	11.3
162.05576	3.3
163.02690	3.4
164.03535	7.3
164.07147	2.4
166.08733	4.2
173.03531	8.6
173.04840	2.9
174.04349	38.9
174.05632	2.1
175.05162	13.3
177.05608	1.5
177.25984	1.6
186.05608	2.6
189.06654	10.2
190.07478	34.1
191.05907	1.5
191.08139	7.6
200.07207	1.7
201.07915	7.6
202.07468	5.5
202.08867	3.9
203.05824	5.0
203.07898	2.4
204.06735	2.4
213.10347	1.6
217.09744	1.8
219.11403	1.6
224.07190	2.8
228.06619	6.2
231.07709	5.6
232.08522	43.0
233.09261	16.0
240.06615	1.6
242.08154	3.4
242.10597	4.4
243.07466	9.4
243.11317	2.6
244.08250	25.5
245.06879	3.2
245.09256	24.0
246.07483	1.8
262.09540	3.7
267.07645	1.9
268.08551	1.9
269.06830	1.6
269.09393	3.8
271.14532	11.3
272.15103	1.5
285.08847	2.1
286.09778	8.9
287.07574	2.0
287.10501	10.4
296.13965	3.6
315.13431	7.8
347.17810	1.9
354.18182	6.1
362.10144	1.5
366.18222	3.5
384.19177	2.7
390.18393	1.9
391.16779	1.5
398.17059	7.2
408.19186	6.2
409.17722	2.1
410.17166	3.2
426.20398	7.0
434.17078	3.9
452.18219	40.4
453.18246	7.1
467.16687	1.9
468.17584	1.9
470.19354	38.6
471.19751	6.5
471.25919	1.4
477.18765	4.2
497.18161	1.6
503.18964	1.7
560.22290	8.7
561.22705	1.7
571.24554	2.0
572.22406	9.5
573.22052	3.8
589.26978	3.1
614.23364	10.7
615.22369	15.4
616.22485	3.6
632.24640	100.0
633.25378	32.2
634.25824	2.7
751.34192	1.6
777.30865	2.1
795.30939	29.5
796.30920	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	795.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	7.0
72.92034	1.8
82.02982	11.2
87.86169	1.7
94.02995	2.0
98.20637	5.0
101.02428	1.4
101.99094	1.6
108.04485	2.4
110.06129	1.6
112.04007	3.5
113.02460	1.5
114.67426	1.6
116.31226	1.8
119.04991	1.9
120.04581	5.0
122.09735	5.1
136.07658	3.1
147.03299	3.3
148.04048	32.5
149.04799	12.3
150.05603	56.4
151.05943	2.7
154.05045	3.5
160.04001	5.3
161.04811	13.7
162.05556	5.2
163.02673	4.2
164.03543	13.0
164.07114	4.3
166.08719	5.0
173.03522	11.7
173.04778	3.3
173.06046	2.0
174.04323	45.3
174.05551	2.9
175.05072	21.4
175.06400	7.2
176.05687	2.6
186.05527	4.9
187.06351	6.4
188.05682	1.9
188.07213	3.1
189.06654	18.6
190.04974	2.7
190.05547	2.6
190.07466	57.0
191.05856	2.8
191.08087	8.9
200.07140	4.9
201.07924	5.9
202.07393	5.8
202.08975	3.0
203.05898	3.1
203.08176	2.3
204.06519	2.0
213.10399	2.0
214.11063	5.7
215.05942	2.0
215.08145	3.5
216.06744	3.0
217.07443	3.4
217.09747	2.2
220.09587	2.8
228.06680	5.3
231.07756	9.3
232.08522	66.7
233.09213	19.4
242.08177	4.0
243.07513	9.1
243.11316	4.6
244.08197	26.1
245.06868	2.7
245.09229	23.6
246.07513	2.0
246.09686	2.2
262.09479	4.9
263.10178	2.9
267.07635	2.6
268.08426	4.7
269.09323	3.9
271.14493	11.3
278.13037	1.8
286.09677	17.6
287.07581	2.3
287.10342	10.3
289.09424	2.7
296.13995	3.7
304.10458	2.4
312.17282	1.7
315.13403	9.4
337.10455	1.9
354.18137	10.2
365.18436	2.6
366.18207	5.4
384.19022	1.7
398.17093	10.5
408.19168	7.0
409.17960	2.0
410.17188	3.7
426.20322	10.3
427.20526	2.1
434.17178	3.9
452.18317	47.4
453.18332	5.2
467.16931	3.6
470.19315	46.2
471.19827	4.0
502.18274	2.8
560.22467	12.5
561.22900	2.4
572.22504	5.2
589.26440	5.2
613.32031	2.1
614.23474	10.8
615.23151	13.7
616.23608	3.0
632.24542	100.0
633.25281	38.0
634.25830	6.0
723.28882	2.9
777.29846	3.9
795.30865	59.9
796.31256	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73628	1.7
59.01379	8.2
59.95599	1.9
69.68410	10.7
71.01389	2.0
75.67312	2.2
82.02991	10.2
85.29542	1.8
87.98402	1.8
88.98838	2.6
93.86169	1.7
108.04591	4.0
112.04067	2.2
119.05012	2.8
120.04580	3.2
122.06125	2.9
122.09770	2.5
134.97308	2.1
136.07709	3.4
145.02997	2.1
146.04837	1.9
148.04044	27.5
149.04810	11.5
150.05612	52.8
151.06001	2.3
154.05096	4.9
160.04045	8.4
161.04855	16.3
162.05556	5.4
163.02763	5.2
164.03577	8.2
164.07201	3.3
166.08710	2.9
167.29395	2.1
173.03543	12.9
173.04825	4.0
174.02065	2.4
174.04327	38.7
174.05579	3.9
174.81593	2.0
175.05125	15.7
175.06412	6.2
186.05634	2.3
187.06340	4.6
189.06639	13.9
190.07512	39.6
191.08095	8.3
200.07210	3.8
201.07924	7.1
202.07248	3.8
202.08865	5.6
203.05968	3.0
203.08351	2.4
204.06502	2.3
214.11128	5.5
215.08247	2.6
216.06737	3.1
219.11401	2.5
226.08817	3.7
228.06570	4.5
230.07024	2.5
231.07808	9.2
232.08543	57.2
233.09233	20.6
242.08347	3.0
242.10585	4.2
243.07431	9.6
243.11334	3.7
244.08183	24.2
245.07011	3.6
245.09273	26.2
246.07625	2.3
263.10333	2.3
267.07645	2.6
268.08597	4.7
269.09253	2.5
271.14526	8.4
286.09708	15.2
287.07825	2.0
287.10437	14.8
296.14188	5.2
303.11377	4.3
304.10889	2.5
315.13510	10.1
340.12726	2.3
347.10483	2.1
354.18253	7.7
366.18369	3.5
398.17123	9.2
408.19525	4.7
409.17700	3.8
410.17276	6.1
426.20288	10.9
431.16016	2.2
434.17047	3.3
452.18295	46.3
453.18356	9.4
467.17197	2.7
470.19394	41.4
471.19620	6.6
477.18433	3.1
538.15784	2.2
560.22394	10.0
561.22919	4.1
572.22583	7.0
573.21185	2.5
589.26276	3.8
614.23785	11.6
615.23138	14.6
616.23260	3.3
632.24615	100.0
633.25317	43.0
634.26025	5.3
753.29504	2.3
777.30298	3.6
795.31018	48.7
796.30872	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	793.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
60.68301	1.2
61.98831	5.7
63.96251	1.6
65.33371	1.3
67.35543	1.2
71.01391	11.7
71.60931	1.6
73.02966	2.1
75.29173	1.4
78.95898	4.2
78.98603	7.5
79.95746	17.1
80.96523	100.0
84.09418	1.4
85.02953	3.0
87.00892	4.6
94.98096	23.6
96.96040	2.2
97.02994	1.9
101.02464	2.3
106.98077	4.9
107.90441	1.4
119.94730	1.4
122.55389	1.4
122.97602	4.8
125.02518	3.3
127.04037	2.0
134.97588	5.0
148.99144	8.1
152.98567	6.7
160.95280	1.9
164.98630	14.8
206.99680	1.9
225.00766	22.2
255.23346	3.6
378.40207	1.3
537.27069	4.9
765.63849	1.4
793.51563	95.8
794.51971	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.2
61.98841	1.0
71.01400	0.2
71.05038	0.2
72.99352	0.2
73.02951	9.6
74.03273	0.1
75.00883	0.5
80.96503	0.3
87.00914	0.2
89.02461	0.2
98.19702	0.2
99.00885	1.6
99.92590	12.0
100.92596	0.6
100.93227	0.2
101.01725	0.1
102.84103	0.1
103.03156	0.2
113.53215	0.2
114.93412	0.4
115.00434	0.2
116.92870	100.0
116.97215	1.1
117.01945	16.6
117.05595	0.3
117.92879	6.1
118.02319	0.2
223.13437	0.1
365.78931	0.2
397.13669	0.2
450.64279	0.1
564.89880	0.2
619.81598	0.1
793.52106	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85088	0.1
59.01382	0.3
61.98834	1.2
64.09016	0.1
71.01395	0.1
73.02952	11.1
75.00874	0.4
76.88323	0.1
80.96522	0.3
86.45164	0.1
98.19887	0.4
98.20605	0.4
99.00883	1.8
99.92590	12.0
100.92603	0.8
114.93420	0.3
116.03538	0.1
116.92868	100.0
116.97243	1.7
117.01944	18.4
117.05585	0.5
117.92877	6.3
118.02290	0.3
125.02505	0.1
126.90495	0.9
145.03006	0.2
152.03316	0.1
207.90828	0.1
223.13332	0.2
277.21646	0.2
278.86987	0.1
335.17578	0.2
356.27402	0.1
364.04413	0.1
397.13535	0.3
497.22708	0.1
566.20343	0.1
660.06891	0.2
793.52057	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.2
57.03448	2.7
58.00618	1.7
59.01384	81.3
61.98837	16.3
69.60409	10.2
71.01384	49.1
72.99333	4.4
73.02949	7.0
73.39413	1.7
75.00880	3.1
83.01390	9.1
85.02953	21.6
87.00886	9.4
89.02444	28.1
91.04028	2.5
92.60667	1.6
95.01395	6.2
95.70985	1.6
96.96020	3.0
97.02985	2.4
98.20694	2.6
99.00925	3.0
101.02456	37.7
113.02452	26.4
116.92886	4.8
119.03505	6.5
124.01661	3.6
125.02458	6.0
135.94002	1.7
143.03496	6.5
161.04568	11.2
179.05571	3.4
189.49164	1.6
210.35727	1.9
235.08388	2.1
253.09296	11.2
341.66269	2.0
343.00443	1.7
525.34357	2.6
543.35345	10.3
687.39563	73.2
688.39636	16.5
705.40637	100.0
706.40930	18.8
747.41827	18.6
748.42224	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	789.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.8
55.84930	2.5
57.03449	2.9
58.00584	3.0
59.01384	100.0
61.98832	25.2
70.19124	12.8
71.01389	72.7
72.99323	9.8
73.02955	13.4
76.84939	2.5
78.95917	3.0
83.01406	10.2
83.17487	2.8
85.02964	20.1
87.00889	12.7
88.98817	9.0
89.02457	36.3
91.04021	4.7
95.01397	4.8
96.96021	23.5
97.02934	4.4
99.00915	5.5
101.02446	46.5
113.02456	35.7
119.03514	9.2
119.05017	3.1
122.34602	3.1
125.02434	4.3
134.53903	2.9
143.03511	9.5
161.04573	8.8
169.77444	3.2
179.05745	3.7
247.02141	3.0
253.09264	14.7
261.11349	10.2
300.51492	2.8
523.32910	3.0
541.33716	8.6
677.68567	3.2
685.38104	59.7
686.38489	19.3
703.39203	83.6
704.39490	23.4
745.40472	16.8
775.82562	3.1
790.37128	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	789.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.5
57.03451	3.8
58.00599	3.5
59.01382	95.4
61.98833	36.3
69.03461	4.5
69.56955	11.0
69.57356	4.6
71.01386	65.5
72.99313	5.8
73.02947	12.6
75.00865	3.3
79.95786	1.9
83.01392	10.0
85.02945	27.1
85.67413	1.9
87.00867	9.8
88.98824	2.8
89.02452	29.9
91.04029	5.0
95.01417	5.8
96.96025	15.9
97.02965	3.4
98.20536	4.5
101.02451	50.3
101.91985	2.0
108.93325	2.0
111.00923	3.0
113.02456	27.4
115.03945	2.0
119.03499	9.2
124.01679	2.3
125.02472	5.8
131.03506	2.5
143.03474	6.1
161.04559	11.2
179.05595	4.7
227.07074	1.9
235.08192	2.4
253.09299	14.7
327.78046	2.1
381.31104	2.5
399.04678	2.9
523.33044	2.6
529.04468	2.5
541.33990	18.7
542.34131	3.2
557.09900	2.3
597.68323	2.2
685.38049	70.7
686.38361	19.8
703.39117	100.0
704.39447	28.2
745.40314	19.0
746.40833	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	789.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	1.2
61.98525	1.2
61.98835	20.6
71.01400	1.2
71.61348	0.9
83.01414	0.9
87.73484	0.7
88.98808	5.1
93.02753	0.8
96.85750	0.9
109.02927	1.7
110.73338	0.8
112.26026	0.9
122.03719	1.0
130.04236	2.8
131.05017	3.9
133.02959	1.5
135.03484	1.2
135.04535	20.1
141.03389	2.2
143.05032	1.1
146.03717	1.9
158.03720	2.9
159.04526	81.3
160.04799	4.2
161.02425	3.3
165.11015	1.0
172.05298	1.1
173.06125	1.2
197.06100	1.2
201.05576	7.9
203.03514	2.8
211.07712	1.0
225.05510	2.5
226.06300	1.5
239.07172	2.9
245.04561	16.5
245.19038	2.2
246.04909	2.0
253.09068	1.0
289.18121	3.5
296.14270	0.8
307.19150	1.1
365.21317	4.8
379.23083	1.0
383.22171	3.0
407.22247	15.6
408.22537	2.8
425.23380	5.5
457.25977	1.3
499.27213	2.1
543.26031	100.0
544.26392	19.5
570.98376	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.9
57.03457	3.6
57.37056	1.3
58.00598	2.5
59.01383	100.0
61.98842	11.6
65.54800	1.5
69.03450	3.0
69.95105	3.5
69.95488	4.1
71.01389	70.3
72.99318	4.1
73.02966	10.6
73.61559	1.6
75.00878	2.6
78.35658	1.5
83.01382	11.9
85.02959	21.7
87.00877	8.5
89.02454	52.1
91.04013	4.6
95.01403	7.0
97.02971	5.2
99.00867	3.2
101.02452	52.7
102.02796	2.2
105.21766	1.5
111.00837	1.6
113.02457	39.5
114.02771	1.8
119.03523	15.3
125.02512	6.9
129.01901	1.5
131.03528	1.9
143.03502	10.5
143.93678	1.5
144.90897	1.5
149.04568	2.3
161.04605	16.2
162.04892	1.5
179.05609	5.7
235.08231	5.1
253.09302	49.4
254.09721	2.0
295.10327	2.6
541.33582	8.2
649.36005	2.8
685.38049	67.4
686.38489	17.3
703.39081	85.7
704.39429	19.2
745.40277	10.6
746.39911	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	789.313
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95285	0.6
61.98834	25.5
68.99570	2.4
71.01362	1.1
78.95885	0.7
85.02045	0.6
109.02941	2.4
112.98588	2.0
112.99950	1.0
113.02454	0.7
113.04024	0.7
113.78065	0.7
121.02966	0.9
123.00841	0.6
130.04253	2.7
131.05067	5.8
133.02971	1.7
134.45094	0.6
135.04535	21.1
141.03464	2.7
141.44769	0.6
143.05051	1.6
144.44211	0.6
146.03748	1.9
156.76465	0.6
158.03726	2.8
159.04527	78.5
160.04874	5.0
161.02443	2.5
172.05301	0.9
173.05968	1.2
175.04062	0.8
177.05617	0.9
187.03813	0.7
197.06163	1.0
198.06923	1.0
201.05615	8.8
202.06013	0.9
203.03502	3.1
208.88260	0.6
211.07654	1.1
212.04857	0.7
221.19279	0.7
225.05521	3.1
226.06306	0.7
229.27748	0.7
239.07205	3.1
245.04565	14.0
245.19106	1.3
246.04909	1.5
289.18127	2.2
307.19244	1.3
363.23129	0.8
365.21078	4.4
366.21356	0.8
383.22583	2.9
389.21005	1.2
407.16785	0.8
407.22241	15.5
408.22495	2.5
425.23233	6.0
426.23691	1.5
436.86951	0.7
457.26273	0.8
499.27042	1.5
543.26007	100.0
544.26392	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	789.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37847	1.0
59.01371	1.8
63.02400	3.1
65.00338	6.5
69.46465	7.6
79.29625	0.9
82.56102	1.1
83.01398	6.2
93.03449	1.7
107.01398	13.1
107.05048	1.2
108.02183	1.1
109.02942	3.4
112.41205	1.0
121.02972	6.6
124.01660	1.6
125.02451	1.8
132.99409	1.1
133.09563	1.1
135.00958	1.5
135.04529	9.9
145.02991	1.1
149.02452	1.1
149.99744	1.1
151.00394	56.9
152.01138	5.3
155.23572	1.1
159.04453	1.1
161.02431	2.4
163.00410	5.1
163.04062	1.4
164.01134	2.1
169.01367	3.4
175.03954	1.4
178.99893	30.2
179.03429	1.9
189.01959	1.2
190.99905	1.4
192.00618	2.4
193.01408	1.5
199.03966	2.0
201.05434	1.4
211.03990	2.0
213.05569	1.1
215.03421	1.6
227.03448	3.4
239.03574	1.2
241.04948	2.7
243.03009	10.4
245.04625	1.5
254.02287	2.5
255.03009	23.4
256.03381	2.3
257.04440	2.6
269.04541	3.1
271.02496	54.0
272.02936	7.1
273.03909	2.1
285.04181	7.2
286.04623	2.1
297.03976	1.5
299.02045	6.7
300.02771	100.0
301.03519	85.9
302.03934	6.4
313.03619	6.6
314.04321	20.5
315.04675	2.5
341.03024	1.3
346.03308	20.7
347.03543	1.6
436.08029	1.7
437.08801	25.9
438.09131	3.2
463.06769	17.8
464.06830	2.2
481.01199	2.1
481.07758	25.7
482.08185	3.3
609.14624	56.1
610.15216	9.2
667.15601	1.2
745.20013	6.9
789.18799	41.9
790.19177	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	789.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23314	0.7
56.90892	0.8
63.02384	1.0
63.43575	0.9
65.00303	1.1
70.20863	1.6
70.21275	2.4
89.03978	0.9
91.01894	1.0
98.19958	1.0
107.01395	2.6
108.02151	1.7
109.02952	4.5
121.02958	1.9
135.04539	19.6
148.01601	1.1
151.00381	9.5
161.02435	2.2
163.00397	2.1
177.01985	3.7
178.99867	4.4
179.03407	1.2
188.01100	1.5
189.01917	1.4
190.02695	0.9
191.03360	0.7
203.00005	0.9
205.01482	1.1
211.03938	1.8
217.01425	1.0
226.02773	1.0
227.03552	3.7
239.03564	0.8
241.04926	0.8
243.02972	6.4
252.75166	0.8
253.04980	1.4
254.02179	1.8
255.00214	0.8
255.00952	0.5
255.02977	20.6
256.03418	2.3
269.04581	3.0
271.02496	36.3
272.02921	5.0
273.04279	0.9
281.04495	2.3
282.01721	1.2
283.02570	9.6
284.02975	0.9
297.03979	4.9
298.04846	1.2
299.02179	1.5
299.05481	1.9
300.02768	75.7
301.03445	31.2
302.03873	2.6
311.02032	2.1
326.04318	20.0
327.05008	8.6
336.53598	0.8
382.87146	0.7
390.37668	0.9
398.77344	0.7
609.14624	100.0
610.14978	19.5
635.16248	17.8
636.16467	3.6
789.18274	5.3
790.19946	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	789.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.9
59.67777	1.2
63.02384	3.2
65.00319	4.4
67.42683	0.9
71.01386	1.6
71.61782	1.1
81.12392	1.0
83.01381	2.1
93.03455	2.6
107.01395	10.5
108.02185	2.2
109.02947	2.9
117.03507	1.5
119.05023	4.7
121.02982	6.3
135.04526	21.6
145.02914	2.0
147.04521	1.8
148.01660	3.0
151.00375	36.5
152.03452	1.5
161.02417	3.2
163.00374	4.2
164.01126	1.4
169.01434	1.5
170.93837	1.1
178.99866	18.5
179.03450	11.0
187.03944	1.5
192.00700	1.1
198.41989	1.0
199.04005	1.7
201.05475	1.4
215.03416	1.3
216.03986	1.5
216.21352	1.0
226.02553	1.8
227.03471	4.6
227.07166	5.7
228.04173	1.1
229.05032	1.7
243.03015	11.8
245.04453	2.0
254.02078	2.0
255.03004	27.4
255.10167	2.1
256.03464	3.5
257.04416	1.3
266.05856	1.8
271.02484	56.0
272.03009	6.3
273.04056	2.2
281.08160	2.0
283.02457	4.7
284.03116	1.4
285.03888	3.2
299.01898	2.6
299.97668	1.5
300.02747	89.5
301.03506	100.0
302.03897	6.6
310.04889	1.0
341.10309	1.8
447.09335	1.5
463.08823	61.8
464.09164	8.3
561.08490	6.2
609.12573	18.2
610.12982	4.9
625.12372	1.4
745.17639	8.0
746.18207	2.5
789.16534	16.8
790.17712	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	787.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	17.6
61.98841	100.0
63.42124	13.7
71.60433	20.3
96.35880	14.0
122.48598	15.3
142.65268	16.5
170.37695	15.9
197.11917	25.6
207.95251	15.5
223.13342	48.8
232.84897	18.5
235.08276	17.0
235.30261	16.0
291.19858	15.6
303.15512	14.0
304.91995	17.5
309.20737	33.9
508.11957	18.4
623.44415	18.0
630.32410	17.4
645.47418	19.4
787.40472	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	788.4445
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
69.73895	1.4
78.95904	0.4
83.60632	0.3
136.62070	0.2
137.35930	0.3
143.91634	0.2
194.50656	0.2
212.83444	0.2
225.00871	0.4
232.04373	0.2
402.51080	0.3
789.42401	0.5
791.12927	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18616	14.2
61.98833	100.0
63.31886	14.1
63.63121	13.2
68.00973	15.9
71.60693	16.4
93.73653	13.9
109.02956	16.8
133.23709	15.1
136.35918	13.1
154.86487	15.3
223.13353	54.2
238.83759	14.1
309.20682	29.3
332.91608	13.8
634.05933	14.4
656.02576	14.9
732.35150	14.9
787.40826	46.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.376
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.1
59.01392	4.2
59.01711	0.7
61.98830	2.1
65.00336	0.9
66.66135	0.7
71.01398	1.5
71.04997	0.9
71.61442	1.4
73.02942	1.0
75.00871	4.7
79.93500	0.8
83.05016	2.2
84.29954	0.9
87.00880	2.1
88.25397	0.8
89.02451	1.1
91.05534	1.6
92.20659	0.8
93.03461	2.3
95.01372	0.8
95.05069	1.3
96.44907	0.8
97.06582	4.0
99.04528	2.3
101.02438	0.8
107.01369	2.6
107.05032	1.6
109.02972	1.6
109.06593	19.6
110.06933	0.9
111.04531	3.5
111.08102	0.9
119.05022	1.4
121.02955	2.9
121.29809	0.8
123.08182	6.7
125.02424	1.0
125.06131	1.4
125.09714	1.0
127.07666	1.2
131.05025	1.3
133.02971	1.0
135.08171	17.8
136.08469	1.4
137.11292	0.7
138.06892	7.5
139.07611	1.1
141.09232	1.5
145.02943	2.0
149.06047	1.2
150.06879	7.7
151.00339	5.9
153.09229	34.0
154.09595	1.7
159.04483	1.6
161.02438	1.9
163.00351	1.3
163.03964	1.0
163.07671	6.8
164.08281	0.9
178.99843	3.1
179.10750	2.8
187.09720	3.7
199.09685	1.0
217.10811	100.0
218.11107	5.1
227.03618	1.3
229.01331	0.9
243.02988	1.9
251.07164	3.5
255.02979	4.6
256.03656	1.1
260.54129	0.9
271.02460	6.2
279.06610	2.3
284.03256	1.6
285.04034	3.6
300.02765	8.5
301.03516	11.9
302.04044	1.7
306.18475	1.0
320.19919	6.9
321.20712	4.8
323.05618	13.4
324.06232	1.0
336.45810	0.9
350.21216	0.8
439.28470	1.2
463.08871	3.9
520.30475	1.1
521.31006	1.6
665.11597	3.2
666.12311	1.2
701.37341	1.1
725.37683	9.1
726.37811	2.5
743.38629	57.6
744.38885	15.3
787.16736	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	786.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
62.98553	0.2
73.15504	0.1
80.96536	0.4
85.29691	0.1
88.11391	0.1
158.16190	0.1
162.57147	0.1
168.18210	0.1
277.21817	0.2
278.22119	0.1
308.60419	0.1
786.37787	0.1
787.39325	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03056	0.1
61.98835	100.0
62.98534	0.1
73.65341	0.1
80.96552	0.1
113.63884	0.1
149.22426	0.1
156.95398	0.1
229.30190	0.1
277.21851	0.2
278.22156	0.2
374.68521	0.1
405.13885	0.1
468.39005	0.1
816.68365	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	787.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31245	1.4
59.01364	2.1
69.42979	12.5
69.43305	3.4
75.00854	2.9
93.03416	1.9
109.02945	4.1
121.02956	3.1
133.03050	1.6
135.04492	4.4
145.02975	2.2
148.01605	2.2
149.06047	2.0
151.00320	2.4
161.02420	6.6
174.03197	4.6
179.03427	1.9
193.05055	9.2
202.99731	1.7
211.04015	2.0
214.02669	2.6
225.01985	13.5
227.03465	5.9
228.04218	5.3
241.04942	3.7
242.02161	3.2
243.02911	5.8
255.02953	10.1
256.03720	4.8
257.04437	2.0
269.00916	45.7
270.01276	3.6
271.02328	2.0
279.02939	2.2
281.00906	4.5
282.01645	10.9
283.02515	19.2
284.03256	12.9
285.03998	18.3
300.02725	4.1
317.04440	4.1
319.06049	2.5
323.07681	1.9
329.03149	5.0
333.04114	4.4
334.04950	2.8
344.03439	2.1
345.03949	12.1
347.05414	1.9
361.03528	13.3
362.04138	2.9
363.05133	4.3
373.03531	54.9
374.04004	7.2
375.04938	3.2
389.03058	32.6
390.03763	21.7
391.04462	14.5
392.05011	2.9
418.03326	100.0
419.04047	69.1
420.04343	8.5
433.05634	5.3
434.06073	4.5
478.05328	2.3
479.06149	4.1
593.12762	4.5
609.12598	16.6
649.13647	2.1
727.15167	95.6
728.15369	19.9
787.17273	95.4
788.17633	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	785.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33471	0.3
59.01389	0.8
61.98836	21.3
62.72473	0.3
66.04542	0.3
71.31866	0.7
73.02939	1.1
77.03952	0.4
91.01906	0.9
99.92593	1.2
100.92626	0.4
105.01985	0.4
108.90194	1.3
116.92863	8.7
117.01938	1.7
117.92879	3.2
118.92667	1.7
119.03544	0.7
120.02175	0.5
121.02966	100.0
122.03303	4.2
136.01668	0.9
153.79700	0.4
165.01889	2.5
181.05118	0.8
181.06615	2.3
191.03497	1.9
197.11781	1.9
209.04559	70.1
210.04887	4.6
223.13342	0.8
225.05644	2.7
253.09117	0.6
289.18372	0.4
309.20578	0.7
313.07205	5.3
314.07477	0.5
357.06177	1.7
401.08765	11.0
402.09122	1.4
549.09949	0.5
575.11761	0.5
690.52356	0.4
717.58411	0.4
741.47998	0.8
785.16669	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99313	21.1
61.98837	28.6
63.36936	3.0
71.61731	4.3
78.95892	4.2
88.98820	100.0
89.02448	8.9
120.77341	3.9
127.20737	3.4
223.13402	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76571	9.0
59.01401	12.0
61.98826	64.3
64.10589	9.8
79.95754	11.0
80.96517	27.8
88.98806	17.4
89.02435	16.3
94.98106	10.9
98.20645	21.2
109.06590	24.9
110.20895	8.2
112.68801	8.6
140.18869	9.2
182.43163	9.1
207.10257	100.0
223.79549	10.1
225.11307	38.7
227.31706	9.7
253.09320	18.3
277.21762	23.7
279.23196	14.5
303.23276	79.6
304.23434	10.7
439.96979	8.2
461.20294	20.2
473.60428	9.7
747.42810	50.3
783.41388	61.6
784.42566	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	784.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04968	0.1
61.98831	100.0
62.98548	0.2
69.96945	0.4
80.96518	0.2
100.07800	0.1
101.87998	0.1
111.77260	0.1
120.37456	0.1
127.27168	0.1
150.86432	0.1
160.57703	0.1
220.05592	0.1
277.21854	0.2
451.34604	0.1
726.57855	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
61.56828	0.1
61.98834	100.0
62.98528	0.2
80.96551	0.2
93.14175	0.1
96.12757	0.1
98.20650	0.2
99.44580	0.1
104.00906	0.1
112.29879	0.1
125.64542	0.1
211.68776	0.1
263.46933	0.1
277.21744	0.1
278.22064	0.2
502.63596	0.1
648.76337	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	782.4338
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
80.71092	0.1
80.96539	0.2
204.17528	0.1
220.52682	0.1
222.21358	0.1
223.13498	0.2
224.13829	0.2
241.62956	0.1
251.20888	0.1
277.21948	0.2
278.22168	0.2
769.77313	0.1
782.41046	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.4347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.5
61.98834	100.0
62.98528	0.3
71.01379	0.2
78.40448	0.2
78.95934	0.4
79.95754	0.3
80.73537	0.3
80.96516	1.3
83.16046	0.2
94.98110	0.4
98.20634	0.5
103.63897	0.2
109.06620	1.0
113.31018	0.2
117.07177	0.3
128.63434	0.2
159.96762	0.2
163.11325	0.4
194.73438	0.2
207.10263	2.0
225.11412	0.6
225.13829	0.2
229.21312	0.2
253.09238	0.5
277.21710	0.5
278.22000	0.4
279.23294	1.4
431.90872	0.2
458.29727	0.2
709.66602	0.2
723.43628	0.7
782.41956	0.9
783.41010	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.3
61.98823	0.6
71.01395	0.2
73.02949	4.6
75.00879	0.5
83.05054	0.1
87.00897	0.2
98.89647	0.1
99.00884	0.7
99.92590	12.5
100.92596	0.6
114.93444	0.5
116.07199	0.2
116.92868	100.0
116.97228	1.2
117.01944	7.1
117.05581	0.3
117.92876	5.6
120.90132	0.1
197.11893	0.2
209.11789	0.6
223.13367	0.7
229.96268	0.1
253.09213	0.1
256.69012	0.1
541.47681	0.1
577.41571	0.2
580.43323	0.1
783.42523	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	781.467
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.12707	14.0
66.70833	13.2
70.90053	25.2
70.90451	32.6
77.13124	12.6
96.35664	13.3
99.21674	11.7
240.83015	16.5
355.93057	14.3
376.77875	15.2
511.97049	14.8
782.73486	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	781.356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.0
57.44402	0.6
58.41707	0.7
59.01386	42.3
60.01707	0.7
60.26336	0.8
61.18546	0.7
61.98846	1.4
67.01637	0.8
69.41876	6.2
69.42274	1.1
71.01387	18.0
72.00908	2.2
72.99318	0.8
73.02942	5.0
75.00857	1.0
77.59193	0.7
78.95900	1.1
83.01384	2.7
85.02956	7.2
87.04497	1.3
89.02444	6.8
93.03473	0.9
95.01377	1.3
96.95979	1.9
98.19961	1.6
99.00859	2.4
100.00406	7.9
101.02452	13.6
113.02427	7.1
116.05045	2.2
117.03486	6.1
119.03514	2.6
119.05035	38.2
120.05372	1.7
125.02515	0.8
130.06668	1.7
142.06627	14.8
143.06927	0.9
145.02954	19.7
146.03261	1.2
149.48918	0.7
159.03104	0.8
159.09276	1.8
161.04549	3.5
163.04002	3.5
186.05638	6.7
203.08162	2.4
223.75929	0.7
229.06163	21.8
230.06459	1.8
253.13339	0.8
269.17603	2.9
284.03540	1.0
308.17688	1.1
327.18088	1.0
345.19199	4.9
346.19806	1.2
349.11908	20.9
350.12253	2.5
362.18793	3.0
380.20004	1.9
387.20209	7.4
431.22858	100.0
432.23227	12.2
522.79663	0.8
568.12561	0.9
570.22437	1.5
588.23462	3.0
600.23914	2.6
601.23389	0.8
618.24268	5.3
631.94556	0.9
701.36810	0.9
751.31012	1.0
781.29956	1.4
783.98322	0.8
814.04803	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.31
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77546	0.8
59.01096	1.5
59.01381	20.2
61.98832	4.1
69.52916	1.4
69.53320	5.0
69.77505	0.7
71.01373	3.7
73.02930	1.4
75.00887	2.0
83.01376	1.0
85.02935	1.1
87.00851	1.1
89.02431	1.0
93.03447	4.8
95.42456	0.9
96.96007	1.2
101.02458	3.6
109.02966	0.9
110.06113	1.0
113.02440	1.1
119.05033	100.0
120.05350	4.6
126.98875	0.8
130.49052	0.8
135.04500	0.8
136.07674	3.7
138.09256	5.7
145.03040	1.2
161.02470	1.2
161.04568	1.1
163.04015	42.8
164.04350	2.6
173.10847	3.1
177.05603	0.9
185.10901	1.0
197.10796	2.8
199.08728	2.4
213.10329	3.5
213.13960	7.1
237.10309	1.4
238.11095	1.6
239.11903	12.1
240.12241	1.0
253.13467	6.8
254.11766	1.5
269.80310	0.9
277.16690	1.0
286.37653	0.8
286.71964	0.9
290.12997	1.3
308.17657	10.1
309.17938	1.4
317.12930	1.8
318.12704	1.1
319.17911	1.9
320.17715	2.6
328.12097	1.1
333.14987	1.4
336.20688	6.0
343.14468	2.7
357.15897	1.8
359.17593	1.2
360.17123	3.2
362.18756	35.4
363.09937	1.4
363.19327	5.5
376.20285	4.3
380.19812	21.5
381.20285	5.7
406.17853	1.8
424.18558	5.8
436.18591	1.2
454.19727	1.9
482.24429	2.5
489.27081	1.1
526.23480	1.1
570.22504	17.8
571.21814	8.9
572.21448	0.9
588.23511	17.9
589.23907	3.3
600.23492	49.3
601.23792	12.7
618.24603	34.4
619.24860	8.1
737.35846	1.4
751.29816	4.6
752.29309	1.6
781.30908	17.1
782.31030	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	781.31
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77546	0.8
59.01096	1.5
59.01381	20.2
61.98832	4.1
69.52916	1.4
69.53320	5.0
69.77505	0.7
71.01373	3.7
73.02930	1.4
75.00887	2.0
83.01376	1.0
85.02935	1.1
87.00851	1.1
89.02431	1.0
93.03447	4.8
95.42456	0.9
96.96007	1.2
101.02458	3.6
109.02966	0.9
110.06113	1.0
113.02440	1.1
119.05033	100.0
120.05350	4.6
126.98875	0.8
130.49052	0.8
135.04500	0.8
136.07674	3.7
138.09256	5.7
145.03040	1.2
161.02470	1.2
161.04568	1.1
163.04015	42.8
164.04350	2.6
173.10847	3.1
177.05603	0.9
185.10901	1.0
197.10796	2.8
199.08728	2.4
213.10329	3.5
213.13960	7.1
237.10309	1.4
238.11095	1.6
239.11903	12.1
240.12241	1.0
253.13467	6.8
254.11766	1.5
269.80310	0.9
277.16690	1.0
286.37653	0.8
286.71964	0.9
290.12997	1.3
308.17657	10.1
309.17938	1.4
317.12930	1.8
318.12704	1.1
319.17911	1.9
320.17715	2.6
328.12097	1.1
333.14987	1.4
336.20688	6.0
343.14468	2.7
357.15897	1.8
359.17593	1.2
360.17123	3.2
362.18756	35.4
363.09937	1.4
363.19327	5.5
376.20285	4.3
380.19812	21.5
381.20285	5.7
406.17853	1.8
424.18558	5.8
436.18591	1.2
454.19727	1.9
482.24429	2.5
489.27081	1.1
526.23480	1.1
570.22504	17.8
571.21814	8.9
572.21448	0.9
588.23511	17.9
589.23907	3.3
600.23492	49.3
601.23792	12.7
618.24603	34.4
619.24860	8.1
737.35846	1.4
751.29816	4.6
752.29309	1.6
781.30908	17.1
782.31030	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	779.4592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12492	0.5
57.03459	1.1
59.01384	21.2
60.41223	0.5
61.98838	2.5
69.03459	1.8
71.01388	3.8
71.05030	0.6
71.51340	1.3
73.02946	0.7
80.96522	2.3
81.03418	0.7
83.05032	0.8
84.44658	0.5
85.02943	1.1
87.00892	0.9
89.02463	3.0
101.02455	3.2
113.02453	2.1
118.77715	0.5
161.04543	1.6
167.10811	3.2
179.10878	0.5
179.14394	3.1
195.13885	9.3
205.12328	8.5
206.12697	0.6
223.13397	100.0
224.13748	7.8
233.22710	0.6
235.08261	5.2
253.09303	10.5
269.00198	0.6
277.21729	95.4
278.22086	10.8
441.21329	2.5
459.22339	13.0
460.22836	1.8
491.82584	0.5
513.30469	0.9
719.43762	1.8
779.38971	2.7
780.40686	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.54013	0.2
69.74824	1.6
71.01393	0.7
72.99316	0.5
75.00865	1.5
77.46558	0.2
83.01395	1.3
86.59973	0.2
91.05518	0.4
93.03465	22.4
94.03799	0.9
94.21650	0.3
98.19895	0.3
107.05030	0.7
115.00395	0.4
117.03471	1.0
118.99881	3.3
119.05037	10.1
120.05427	0.4
121.02959	1.1
121.06615	1.3
130.04243	1.6
131.05032	8.1
132.05324	0.3
133.06612	7.7
134.06931	0.5
135.04507	0.8
145.02962	7.1
147.04532	15.2
148.04880	0.7
149.06081	5.0
157.01469	0.4
158.03749	1.8
159.04521	7.1
159.05777	0.5
161.02481	0.3
163.04015	1.2
175.02563	0.5
175.03978	2.4
176.04640	0.3
177.05579	100.0
178.05928	5.7
221.04594	1.4
265.03537	9.5
266.03967	0.4
291.08777	0.7
362.07089	0.3
453.23862	0.3
455.11646	0.4
507.69168	0.3
582.01160	0.3
627.82294	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01716	1.0
60.44908	0.7
61.77828	0.8
61.98520	0.6
61.98840	2.7
66.92434	0.7
71.01386	8.3
71.61651	1.2
72.99383	0.7
73.02949	4.2
83.01414	1.4
85.02929	3.7
87.00898	1.0
89.02456	4.5
99.00872	0.8
101.02439	8.2
107.86840	0.7
109.03023	1.5
113.02447	4.2
119.03500	2.0
119.04956	0.6
130.67429	0.7
135.04578	2.3
143.03532	0.8
161.04588	3.0
191.03542	1.6
192.04240	0.9
287.05231	0.7
291.18103	5.1
315.18161	4.7
333.19235	2.2
357.18979	4.1
357.92902	0.8
385.25897	1.1
607.10504	0.8
609.83728	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98795	1.5
57.03437	1.9
59.01382	9.9
61.98822	3.0
69.03460	4.5
71.01383	6.3
71.05017	3.2
71.09636	3.5
83.05013	2.3
85.02942	1.8
89.02441	4.6
97.02944	4.2
101.02449	6.7
109.06578	9.6
123.08202	1.7
125.02412	1.6
135.08151	3.2
141.00009	1.6
161.04546	2.3
161.09714	1.8
163.11292	5.1
179.10770	7.4
197.11838	86.6
198.12134	5.3
205.12410	1.6
207.10300	29.3
208.10573	2.4
223.13411	3.0
225.11317	12.0
235.13455	1.6
241.10846	4.7
253.09293	6.2
257.22559	2.3
301.21866	2.0
317.21286	1.9
319.22836	3.6
335.22296	6.5
461.20227	5.2
462.20737	1.8
477.19812	4.0
705.46576	2.2
779.42303	100.0
780.42590	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	779.4591
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92978	0.9
57.03436	1.3
59.01382	38.4
61.08355	1.0
61.98839	21.8
69.03467	2.2
71.01396	3.1
78.95892	1.9
79.95733	1.1
80.96527	6.8
82.55948	0.9
85.18198	1.0
87.00930	1.3
89.02434	1.4
98.20621	2.6
101.02445	2.1
111.89365	1.1
112.17509	1.2
113.02437	2.1
116.92839	2.4
118.60616	1.0
119.03485	1.0
161.04483	1.2
164.98607	1.3
167.10782	2.7
177.12845	1.7
179.10802	1.1
179.14384	2.5
195.13913	9.2
197.11861	1.5
205.12367	9.0
211.13387	1.1
223.13403	100.0
224.13698	7.7
225.00659	2.2
240.43596	1.1
247.64084	1.0
249.18654	1.3
253.09296	7.0
255.23459	1.4
277.21735	53.0
278.22095	7.6
281.13596	1.2
291.19458	1.2
309.20816	2.8
310.21124	2.2
369.72876	1.0
406.65717	1.1
441.21213	2.2
459.22394	8.7
460.22522	2.4
513.30743	1.3
719.43591	2.1
779.38818	6.6
780.39667	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	775.5327
Annotation	Unknow
Peak:m/z	Relative Intensity
60.12518	0.1
61.98833	100.0
62.98565	0.1
71.16029	0.2
91.80198	0.1
103.43122	0.1
117.57911	0.1
141.63690	0.1
145.44672	0.1
184.66792	0.1
195.62906	0.1
232.15817	0.1
354.43988	0.1
424.59183	0.1
463.25165	0.1
672.32202	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	776.5455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	23.0
61.98845	19.8
71.01393	25.5
74.00006	3.4
78.95913	11.0
79.95747	4.8
80.96520	19.6
89.02429	19.1
94.98102	4.8
98.20623	10.2
101.02451	15.6
113.02484	7.3
119.03487	13.4
134.97549	4.4
150.40746	4.2
179.05685	7.0
191.53946	4.6
196.89487	5.2
225.00711	6.4
253.25410	6.5
534.56281	4.3
545.51294	4.2
560.50769	21.7
578.51801	9.4
662.19806	4.9
740.56763	100.0
741.57306	27.5
776.55176	23.2
777.41101	40.0
777.53687	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	779.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01708	1.2
61.57941	0.4
61.98832	1.2
70.92970	0.7
70.93333	0.9
71.01392	9.1
72.01296	0.5
72.99317	0.7
73.02964	3.6
83.01402	1.5
85.02957	3.8
87.00927	0.5
89.02444	4.0
95.01402	0.5
95.61203	0.4
99.00896	1.0
100.27031	0.4
101.02456	7.3
105.63969	0.4
109.02897	0.6
110.08533	0.4
113.02464	3.5
119.03520	1.6
125.02425	0.7
135.04474	1.1
137.33601	0.4
143.03534	0.6
161.04623	2.5
179.05580	0.5
189.31595	0.4
191.03520	0.7
192.04298	0.6
193.95927	0.5
219.99063	0.4
291.18167	6.1
291.67709	0.5
315.18170	4.1
333.19232	2.5
354.38239	0.5
357.19196	3.9
358.19547	0.5
401.21948	1.6
424.72394	0.5
531.24866	0.6
632.95740	0.4
735.05005	0.4
783.57471	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.0
61.98825	1.0
72.00915	10.8
74.02503	1.2
82.09232	0.7
85.45472	0.7
87.90279	0.9
93.03452	1.6
98.20621	1.9
100.00414	29.1
103.30761	0.7
104.40207	0.8
105.90647	0.9
116.05085	6.9
117.03477	15.3
119.05037	95.2
120.05386	4.6
130.06635	5.3
142.06633	47.5
143.06987	3.5
145.02968	67.3
146.03268	3.3
146.06116	1.6
147.04562	1.0
150.06874	2.4
157.07719	4.6
159.09262	2.3
176.07149	2.0
179.10880	0.7
181.07799	0.8
185.07216	3.2
186.05618	20.7
187.05992	1.6
203.08272	7.3
220.06168	1.2
229.06186	95.5
230.06522	8.3
305.13019	1.7
325.13116	1.4
349.11948	100.0
350.12265	11.1
729.40814	8.7
730.41522	1.5
782.76080	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.0
61.40742	0.7
61.98828	8.0
63.40768	0.7
102.25558	0.9
102.46291	0.8
109.02990	1.6
120.97324	0.9
121.02861	1.1
130.04240	2.5
131.05037	4.8
135.04532	16.8
136.04851	1.0
136.08163	0.8
141.03502	1.8
143.05061	1.7
146.03754	1.4
158.03743	3.1
159.04524	73.5
160.04869	4.9
161.02414	2.3
172.05220	1.0
177.05534	1.4
183.04398	1.0
195.32744	0.8
201.05531	8.5
203.03494	3.3
211.03851	0.9
220.64479	0.9
225.05556	3.6
226.06160	1.1
231.17529	2.5
239.07205	2.3
245.04550	14.1
246.04808	2.1
275.16589	2.4
293.17490	1.2
305.88882	1.1
310.56580	0.9
351.19595	3.3
369.20679	2.2
375.19345	1.4
393.20697	19.0
393.25720	1.2
394.20978	2.4
411.21759	8.3
443.24329	1.5
485.25366	1.8
520.46033	0.9
529.24451	100.0
530.24774	19.3
531.61670	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15245	0.3
58.22315	0.2
60.30658	0.3
61.98833	7.4
62.33086	0.2
71.01393	0.4
72.00755	0.2
78.95909	17.2
79.95735	3.8
94.98112	0.5
96.96021	100.0
96.96944	21.4
97.95950	0.4
98.02449	0.4
98.19822	0.6
207.74821	0.2
223.13409	0.3
240.10559	0.3
356.14667	0.3
397.13580	0.4
435.07990	0.5
453.09424	0.4
603.96790	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36700	0.2
59.01384	0.2
61.98837	3.9
68.80953	0.2
71.01373	0.3
71.59929	0.4
78.95908	18.1
79.95744	3.3
89.91289	0.2
94.98067	0.6
96.96020	100.0
96.96944	21.7
97.95937	0.4
98.20480	0.2
128.91577	0.3
136.90730	0.3
154.43423	0.3
277.21924	0.4
397.13461	0.5
453.08658	0.5
543.26324	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92649	0.9
63.02397	2.3
65.00320	5.9
70.92601	1.2
70.92902	1.1
75.78327	0.9
80.27696	0.8
83.01396	1.5
84.78823	0.7
93.03477	1.2
93.52032	0.8
107.01379	8.4
108.02218	1.0
109.02973	1.3
119.05032	1.0
121.02954	3.8
124.01651	1.5
125.02459	1.5
133.02980	0.9
135.00948	1.4
135.04538	3.6
145.02946	1.3
148.01653	0.9
148.49083	1.0
149.02386	0.9
151.00380	35.6
152.01126	2.9
161.02469	2.1
162.03278	1.5
162.05577	0.9
163.00328	2.9
164.01201	2.3
169.01440	1.5
178.99872	14.3
179.03455	1.3
185.82149	1.1
192.00668	1.0
193.01430	1.1
193.99995	0.8
199.04120	1.5
211.03955	1.4
213.05542	0.9
216.04187	0.9
226.02644	1.8
227.03508	3.9
229.05005	1.8
239.12833	5.2
241.04965	1.3
243.00656	1.2
243.03008	9.4
244.03574	1.1
245.04422	1.3
254.02199	1.7
255.02985	24.5
256.03610	2.4
257.04663	2.4
269.04678	2.0
271.02478	53.7
272.02924	5.1
273.04050	1.1
281.13754	1.9
283.02423	2.0
284.03336	1.8
285.04047	11.3
286.04648	1.7
297.03952	1.8
299.02039	3.7
300.02768	100.0
301.03464	55.0
302.03870	4.9
310.08566	0.9
313.03568	7.4
314.04300	15.2
315.04608	1.1
345.99344	1.3
346.03339	20.2
347.03635	2.6
371.15268	1.1
381.01047	0.9
420.08652	5.3
421.09137	7.5
422.09595	1.8
447.07190	18.4
448.07739	3.2
463.09058	1.4
465.08298	11.9
466.08459	1.2
593.13580	1.5
609.14606	87.4
610.14941	12.3
729.20349	13.0
730.21094	2.4
773.19385	32.2
774.19702	9.9
796.79083	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92649	0.9
63.02397	2.3
65.00320	5.9
70.92601	1.2
70.92902	1.1
75.78327	0.9
80.27696	0.8
83.01396	1.5
84.78823	0.7
93.03477	1.2
93.52032	0.8
107.01379	8.4
108.02218	1.0
109.02973	1.3
119.05032	1.0
121.02954	3.8
124.01651	1.5
125.02459	1.5
133.02980	0.9
135.00948	1.4
135.04538	3.6
145.02946	1.3
148.01653	0.9
148.49083	1.0
149.02386	0.9
151.00380	35.6
152.01126	2.9
161.02469	2.1
162.03278	1.5
162.05577	0.9
163.00328	2.9
164.01201	2.3
169.01440	1.5
178.99872	14.3
179.03455	1.3
185.82149	1.1
192.00668	1.0
193.01430	1.1
193.99995	0.8
199.04120	1.5
211.03955	1.4
213.05542	0.9
216.04187	0.9
226.02644	1.8
227.03508	3.9
229.05005	1.8
239.12833	5.2
241.04965	1.3
243.00656	1.2
243.03008	9.4
244.03574	1.1
245.04422	1.3
254.02199	1.7
255.02985	24.5
256.03610	2.4
257.04663	2.4
269.04678	2.0
271.02478	53.7
272.02924	5.1
273.04050	1.1
281.13754	1.9
283.02423	2.0
284.03336	1.8
285.04047	11.3
286.04648	1.7
297.03952	1.8
299.02039	3.7
300.02768	100.0
301.03464	55.0
302.03870	4.9
310.08566	0.9
313.03568	7.4
314.04300	15.2
315.04608	1.1
345.99344	1.3
346.03339	20.2
347.03635	2.6
371.15268	1.1
381.01047	0.9
420.08652	5.3
421.09137	7.5
422.09595	1.8
447.07190	18.4
448.07739	3.2
463.09058	1.4
465.08298	11.9
466.08459	1.2
593.13580	1.5
609.14606	87.4
610.14941	12.3
729.20349	13.0
730.21094	2.4
773.19385	32.2
774.19702	9.9
796.79083	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03029	1.6
59.01377	3.1
63.02382	5.9
65.00327	12.6
70.76592	1.5
71.62020	1.4
75.00864	5.0
83.01380	5.5
106.20197	1.6
107.01383	25.6
107.05022	5.2
109.02961	5.0
121.03033	1.7
124.01669	9.0
125.02422	6.7
135.04509	9.8
145.02919	2.8
149.99571	2.8
151.00378	71.3
152.01151	12.9
159.04488	2.2
161.02530	7.9
162.03166	4.2
163.00381	5.3
164.01135	2.8
169.01421	2.8
177.01901	2.5
178.99886	25.7
180.00154	1.6
180.98961	1.6
185.02432	1.9
189.01912	2.8
192.00597	5.2
193.01309	2.9
210.44667	1.5
213.05505	4.2
215.03416	2.8
216.03896	1.6
225.05505	2.7
227.03601	2.0
228.04027	2.2
229.05034	3.1
241.05087	8.5
242.05508	1.8
243.02945	4.6
255.02884	4.9
255.06606	2.4
257.04550	8.1
269.04556	11.7
271.02487	21.6
284.03323	3.8
285.04083	34.8
286.04700	8.4
297.04004	4.8
298.04944	2.7
299.01984	5.1
300.02573	3.8
301.03171	3.5
313.03571	22.8
314.04324	79.3
315.04630	5.2
327.05286	2.7
341.03018	3.3
346.03287	100.0
347.03574	9.2
405.62738	1.6
420.08594	22.2
421.09238	53.9
422.09625	4.7
447.09174	6.2
465.08273	3.8
478.95825	1.7
649.13684	2.0
729.20288	61.0
729.33112	3.5
730.20367	15.5
773.19336	85.3
774.19794	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	773.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88517	0.9
63.02394	1.0
64.98794	0.8
65.00317	1.5
69.55434	1.4
69.55838	5.1
81.05470	1.0
86.13988	0.9
91.01871	1.3
93.03484	1.9
93.99819	0.9
96.59801	1.2
96.62085	1.0
99.98737	1.0
107.01392	3.2
108.02192	2.2
108.85036	1.1
109.02950	5.1
110.53240	1.0
119.05036	19.2
120.05369	1.0
121.02944	1.4
125.02367	1.2
133.02954	2.2
138.05611	6.5
145.02960	2.0
148.01633	1.5
149.02458	2.0
151.00374	13.1
161.02441	1.5
163.00388	2.1
163.04005	1.1
170.10062	0.9
177.01924	6.9
178.99898	8.0
183.23894	1.0
187.04013	2.4
188.01161	1.3
189.01956	2.0
190.34724	1.0
199.04045	2.0
203.03351	1.2
203.28363	1.0
205.01453	1.2
211.03966	2.6
213.02054	0.9
215.03650	1.4
216.04083	1.3
217.01337	1.3
226.02765	1.3
227.03490	4.4
229.05000	2.8
237.05568	1.1
239.03481	1.4
242.02377	1.1
243.03020	10.7
244.03452	1.4
253.05101	3.2
254.02223	2.4
255.02991	23.1
255.05673	1.3
256.03506	3.3
267.02966	1.3
269.04559	4.2
270.05032	1.2
271.02484	60.3
272.03055	7.0
273.04050	1.2
273.47470	0.9
281.04590	3.0
283.02567	9.4
283.05692	1.7
284.03152	1.8
285.04059	1.3
297.04050	6.2
298.04712	2.1
299.01987	19.5
299.05222	2.0
300.02756	99.8
301.03470	45.4
302.03961	3.3
310.04895	2.9
311.02039	2.6
311.05603	3.2
325.03348	1.3
326.04285	25.3
327.05008	10.3
328.05276	1.5
343.05133	1.3
420.08661	2.6
421.08923	1.4
446.06570	2.0
447.06885	1.3
537.15210	1.0
609.14606	100.0
610.15106	15.4
619.16681	3.8
635.16205	20.4
635.26660	1.4
636.16730	2.9
755.18091	3.5
773.19446	42.3
774.19617	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	773.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.4
63.02405	4.7
65.00323	8.5
71.01350	3.3
71.61958	2.9
75.00883	4.2
83.01405	4.7
93.03474	6.2
95.01414	1.8
107.01392	10.5
109.02943	7.9
119.05030	3.6
121.02951	6.2
123.00941	2.2
124.01646	5.9
125.02460	4.1
131.31859	1.7
135.04541	2.0
141.83978	1.9
145.02968	3.8
147.04469	2.3
149.02470	4.5
150.99174	2.1
151.00392	40.3
152.01178	22.6
153.01512	1.9
159.04539	2.7
161.02438	5.0
163.00391	8.8
165.01895	2.4
166.84933	1.7
169.01439	3.5
175.03926	3.2
177.01901	2.2
178.99892	23.1
189.05688	1.8
225.05585	3.3
227.03520	2.1
229.05098	3.2
232.07411	1.7
237.05614	4.2
240.04192	2.3
241.05025	4.6
242.05995	2.0
243.03050	3.5
253.05191	4.7
255.03133	9.8
255.06525	1.9
269.04483	8.2
270.05161	2.3
271.02469	19.4
271.05612	3.1
272.02966	3.6
281.04526	2.6
283.02554	3.1
283.05948	2.7
285.04163	12.2
293.04681	2.2
297.03989	7.4
299.02075	16.0
299.05267	2.7
300.02744	21.8
301.03363	14.5
309.03976	4.0
311.05569	4.2
313.03564	11.2
314.04303	24.0
315.04700	2.6
326.04349	6.6
327.05185	10.3
341.02869	2.5
375.08966	2.5
377.06396	2.7
391.08215	7.7
403.08121	5.5
405.06216	5.6
419.07880	3.9
420.08490	20.0
421.09265	27.8
422.09457	3.0
446.06573	3.7
447.07043	15.3
464.07529	7.8
465.07913	11.8
466.08710	2.4
609.14648	12.3
610.15717	3.2
635.16003	10.5
636.16412	2.2
649.14917	1.9
729.20367	31.3
730.20709	7.9
755.17694	9.4
756.17810	2.3
773.19342	100.0
774.19806	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.0
63.02396	2.3
65.00329	1.9
69.74560	0.9
69.74973	3.1
73.02969	0.7
78.95905	0.8
83.01388	1.8
88.50419	0.6
93.03452	3.9
96.96032	0.9
98.19933	1.0
99.39693	0.7
107.01395	5.1
107.05037	1.5
108.02143	0.9
109.02934	3.2
117.03468	2.3
119.05021	6.1
121.02972	2.4
126.11556	0.6
129.03499	0.5
133.02933	1.4
134.03722	2.6
135.00929	1.2
135.04533	43.6
136.04855	2.5
137.02371	0.7
143.04999	1.0
145.02965	5.9
147.04536	0.8
149.02489	0.8
151.00375	11.8
157.06506	0.7
159.04491	1.8
161.02383	3.1
161.06058	1.2
163.00336	3.5
163.03992	1.6
164.01131	1.2
169.01558	1.5
169.06606	1.3
171.04462	1.2
175.03952	1.1
177.05565	1.5
178.99902	4.1
179.03506	32.4
180.03853	1.6
184.05074	0.7
185.06070	2.2
187.04022	3.0
189.05521	0.8
195.04469	0.8
197.06050	1.6
199.03986	1.1
201.05560	1.4
203.03442	0.8
211.03990	2.4
211.07532	1.7
213.05534	2.9
215.03455	1.0
226.06357	0.8
227.03543	18.4
227.07072	17.0
228.03975	1.9
228.07603	1.5
229.05055	8.0
239.03525	2.3
239.07103	2.2
240.04160	0.8
240.07463	0.7
241.04950	1.8
243.02988	4.4
253.08598	1.5
254.02194	1.3
255.02985	36.2
255.10310	2.2
256.03442	5.2
257.04550	6.7
258.05029	1.2
265.08752	1.4
266.05981	0.8
271.02460	16.0
272.03088	1.6
281.04868	0.9
281.07907	3.1
283.02481	1.5
284.03262	38.1
285.04041	100.0
286.04385	9.1
299.99316	1.3
300.02759	25.6
301.03488	18.9
302.03839	1.7
307.08334	0.9
311.05432	1.0
323.07803	0.8
341.10284	3.6
345.69797	0.7
383.11261	1.5
431.09949	0.7
443.13477	2.1
447.09326	26.7
448.09668	4.6
463.08841	26.7
464.09229	3.5
487.12360	1.1
545.09338	2.3
593.13055	29.4
594.13507	6.2
609.12592	3.5
668.24792	0.8
729.17963	5.3
729.37152	0.9
730.19269	1.5
773.17395	12.8
774.17291	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	771.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72475	0.6
57.03429	0.6
59.01373	1.8
61.98825	1.0
69.03484	0.6
69.38500	5.2
75.00836	0.7
82.20290	0.5
85.02960	0.9
87.00874	1.3
88.20737	0.5
91.42251	0.6
96.96011	1.8
97.06594	1.2
99.04530	1.0
101.02417	0.7
111.04516	0.7
121.87148	0.7
122.82873	0.6
123.08182	1.9
135.08224	0.9
135.75453	0.6
136.52406	0.6
141.09206	0.9
149.06093	1.3
150.06876	24.3
151.07440	0.8
157.08688	1.9
162.06837	1.4
163.07657	10.8
164.08443	4.1
171.10201	0.5
177.09174	0.8
178.09973	1.3
179.10788	11.3
187.09789	1.4
201.11308	4.3
229.10771	4.2
299.18677	1.1
320.19962	2.4
321.20581	2.3
341.23279	2.2
343.21249	3.0
364.22491	2.2
441.30569	0.7
459.31186	0.9
460.31732	0.9
462.29776	1.4
476.31363	2.4
477.32236	3.1
477.38095	0.7
504.30899	3.8
505.31461	2.0
522.32007	5.3
523.32916	12.2
524.33099	2.1
525.26917	1.9
685.37939	2.3
709.38501	0.9
727.39130	100.0
728.39478	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	771.381
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.5
59.01377	2.9
61.98824	1.7
65.90804	0.4
69.03442	0.5
71.01379	0.8
71.61777	0.7
73.02945	0.8
75.00867	1.1
85.02937	1.5
87.00871	1.3
93.03499	0.4
94.07840	0.4
96.96002	2.0
97.06580	1.1
101.02448	0.7
109.02909	0.6
111.04497	0.9
111.08113	0.8
113.02481	0.6
119.05036	0.7
123.04559	0.5
123.08143	1.9
135.04518	0.5
135.08163	0.8
136.05283	0.8
137.09723	0.9
141.09196	0.6
145.02989	0.8
148.05286	0.6
149.06065	1.7
150.06871	27.3
151.07080	1.0
157.08705	1.3
161.02466	0.6
162.06862	1.5
163.07646	11.5
164.08435	5.3
165.09055	0.6
176.08351	0.8
177.05569	1.0
177.09160	1.4
178.09955	2.0
179.10773	14.1
187.09750	1.1
191.03520	0.6
218.59920	0.5
229.10878	3.2
255.03036	0.5
285.04053	0.9
285.17139	0.5
292.20590	0.7
299.18707	1.0
320.19812	1.9
335.22412	1.3
341.23306	3.2
343.21347	2.8
349.11731	0.7
364.22681	1.6
376.92923	0.5
441.30267	0.7
459.31534	0.7
461.32437	0.8
462.29782	1.2
476.31625	2.4
477.32159	3.1
478.32437	0.7
504.30878	2.9
505.31592	2.1
522.31989	4.8
523.32819	13.0
524.33118	1.9
685.37671	2.4
686.38617	0.7
727.39105	100.0
728.39417	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	771.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93110	0.6
56.44482	0.6
57.03456	0.7
59.01372	2.0
59.59722	0.5
61.98824	0.7
71.01400	0.9
73.02933	0.8
75.00867	0.7
85.02973	1.5
85.05172	0.6
87.00859	1.6
94.18702	0.6
97.06590	1.0
99.04504	0.8
111.04518	0.8
123.08156	2.2
135.08142	1.0
136.45035	0.7
141.09224	0.8
145.02965	0.7
149.06064	1.5
150.06879	25.5
151.07321	1.2
157.08754	0.7
162.06917	1.0
163.07655	10.7
164.08415	4.2
177.05733	0.8
177.09227	1.2
178.10037	1.2
179.10777	11.9
180.11194	0.8
187.09706	0.6
187.68108	0.7
208.07469	0.6
229.10797	3.4
285.04037	0.8
299.18658	0.6
320.20026	0.8
335.22507	0.9
341.23288	2.6
343.21301	3.6
364.22504	1.9
441.30106	0.7
459.31073	1.4
462.29962	1.3
476.31363	2.3
477.32224	3.1
504.30737	3.1
505.31528	1.1
507.29764	0.8
522.32117	5.3
523.32782	12.1
524.33038	1.7
685.38116	2.9
727.39124	100.0
728.39435	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99865	0.2
58.96183	0.2
61.98826	0.5
73.02952	4.3
99.00878	0.4
99.92587	11.3
100.04005	0.2
100.92617	0.8
114.93456	0.4
116.92869	100.0
116.97211	1.2
117.01945	6.6
117.02801	0.2
117.05619	0.2
117.92883	4.8
155.10812	0.2
155.35977	0.2
171.07182	0.2
229.50600	0.2
234.55544	0.2
284.29874	0.2
312.27600	0.2
384.88855	0.2
628.10925	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.1
61.98831	0.8
68.45300	0.1
73.02950	4.3
75.00883	0.1
77.73586	0.1
88.98824	0.2
98.19920	0.3
98.20609	0.4
99.00881	0.8
99.92588	10.8
100.92603	0.6
100.93208	0.1
114.93403	0.4
116.92868	100.0
116.97235	1.0
117.01943	7.7
117.05566	0.2
117.92877	5.7
121.91891	0.1
224.03767	0.1
255.23341	0.2
359.78003	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43009	1.7
59.01389	8.2
61.05866	1.8
69.62955	9.4
71.01388	2.1
73.02949	2.2
75.00870	6.4
85.02943	2.2
93.03459	2.9
98.19903	3.1
109.02962	6.2
119.05040	10.7
121.02953	3.1
123.04508	3.3
132.02147	1.9
133.02934	2.5
135.04568	3.1
145.02937	5.4
146.03447	1.9
147.04538	2.3
149.02455	3.9
151.00380	2.2
159.04501	1.8
161.02470	3.3
174.03340	2.2
177.01906	2.8
185.02388	4.9
189.92282	1.9
202.99951	3.0
214.02730	2.1
220.09390	1.7
225.01920	7.0
225.05559	3.3
227.03532	1.9
228.04088	2.5
241.04944	3.3
243.02841	2.4
249.05450	2.2
251.03673	2.1
253.05077	15.0
254.05750	2.2
255.03000	5.0
255.06525	2.3
256.03561	2.4
265.05121	2.2
267.06500	2.8
269.00949	14.9
270.01596	2.8
271.02386	2.4
271.28748	1.8
277.05066	3.0
279.03058	4.2
279.06339	2.5
280.03735	3.0
281.01123	1.8
281.04446	3.6
281.08194	2.8
282.01550	2.5
283.02472	7.0
284.03253	3.0
285.04028	6.1
293.04419	2.4
300.02728	5.2
301.03424	3.9
305.04611	3.4
307.05795	3.9
309.07660	3.9
317.04474	4.7
319.05978	4.1
329.04651	3.6
330.05463	4.2
331.06046	4.1
336.02838	2.0
338.57220	1.9
345.04004	16.1
346.04507	2.5
347.05646	25.3
348.05988	2.7
357.04114	2.4
358.04605	2.7
359.05640	3.1
373.03546	37.9
374.04269	21.9
375.05054	20.2
376.05081	1.8
401.06366	2.7
401.98245	2.4
402.03781	60.7
403.04562	66.7
404.04874	6.7
417.06406	2.9
418.06754	3.3
419.07370	3.6
429.09647	4.8
441.09158	2.1
462.06134	4.0
463.06683	15.0
561.14081	1.8
563.13348	12.4
593.13092	3.0
607.12097	3.1
609.12585	3.1
624.30676	3.0
625.31219	3.0
682.31372	3.9
711.15662	100.0
712.15759	20.2
727.18060	3.2
771.17810	42.4
772.17664	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	771.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43009	1.7
59.01389	8.2
61.05866	1.8
69.62955	9.4
71.01388	2.1
73.02949	2.2
75.00870	6.4
85.02943	2.2
93.03459	2.9
98.19903	3.1
109.02962	6.2
119.05040	10.7
121.02953	3.1
123.04508	3.3
132.02147	1.9
133.02934	2.5
135.04568	3.1
145.02937	5.4
146.03447	1.9
147.04538	2.3
149.02455	3.9
151.00380	2.2
159.04501	1.8
161.02470	3.3
174.03340	2.2
177.01906	2.8
185.02388	4.9
189.92282	1.9
202.99951	3.0
214.02730	2.1
220.09390	1.7
225.01920	7.0
225.05559	3.3
227.03532	1.9
228.04088	2.5
241.04944	3.3
243.02841	2.4
249.05450	2.2
251.03673	2.1
253.05077	15.0
254.05750	2.2
255.03000	5.0
255.06525	2.3
256.03561	2.4
265.05121	2.2
267.06500	2.8
269.00949	14.9
270.01596	2.8
271.02386	2.4
271.28748	1.8
277.05066	3.0
279.03058	4.2
279.06339	2.5
280.03735	3.0
281.01123	1.8
281.04446	3.6
281.08194	2.8
282.01550	2.5
283.02472	7.0
284.03253	3.0
285.04028	6.1
293.04419	2.4
300.02728	5.2
301.03424	3.9
305.04611	3.4
307.05795	3.9
309.07660	3.9
317.04474	4.7
319.05978	4.1
329.04651	3.6
330.05463	4.2
331.06046	4.1
336.02838	2.0
338.57220	1.9
345.04004	16.1
346.04507	2.5
347.05646	25.3
348.05988	2.7
357.04114	2.4
358.04605	2.7
359.05640	3.1
373.03546	37.9
374.04269	21.9
375.05054	20.2
376.05081	1.8
401.06366	2.7
401.98245	2.4
402.03781	60.7
403.04562	66.7
404.04874	6.7
417.06406	2.9
418.06754	3.3
419.07370	3.6
429.09647	4.8
441.09158	2.1
462.06134	4.0
463.06683	15.0
561.14081	1.8
563.13348	12.4
593.13092	3.0
607.12097	3.1
609.12585	3.1
624.30676	3.0
625.31219	3.0
682.31372	3.9
711.15662	100.0
712.15759	20.2
727.18060	3.2
771.17810	42.4
772.17664	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	770.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84041	0.4
61.98835	100.0
71.60911	0.5
75.22356	0.4
100.23180	0.4
120.94478	0.4
130.69102	0.4
184.20613	0.5
212.13757	0.6
319.82040	0.4
337.26926	0.4
708.46265	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
70.88927	0.8
89.33668	0.4
89.76911	0.4
90.03198	0.4
266.58734	0.4
539.81555	0.4
726.65472	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	9.7
61.98831	13.9
69.03448	5.1
69.77335	1.3
71.01384	7.8
83.05019	2.1
89.02436	4.3
95.01402	1.5
97.06557	1.6
101.02438	3.8
105.33064	1.3
109.06578	1.5
111.08135	6.3
113.02388	2.2
123.08157	2.3
125.09718	4.0
151.11247	3.0
153.12830	2.7
161.09718	4.0
169.12285	4.3
171.10318	2.7
179.10745	8.4
197.11850	91.0
198.12221	6.9
207.27760	1.2
209.11800	2.1
211.13354	2.9
223.09731	1.5
223.13364	3.1
225.11357	3.5
227.13037	1.9
235.08163	1.8
241.10799	3.2
253.09259	5.3
291.19678	2.8
309.20685	6.0
327.21664	2.0
477.19925	2.7
528.73102	1.8
769.40161	100.0
770.40601	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	10.2
61.98838	13.3
69.03451	5.5
71.01389	9.6
71.61640	2.5
72.25629	1.7
83.05037	1.9
87.00867	2.5
87.55538	2.0
89.02483	3.0
96.96013	2.7
101.02428	5.9
111.08159	4.4
123.08185	2.2
125.09731	2.4
125.90181	1.8
145.62599	1.8
151.11270	3.9
153.12764	3.0
161.09714	6.8
169.12315	2.6
171.10269	4.1
178.87416	1.9
179.10767	5.9
189.73047	1.7
197.11844	100.0
198.12160	6.4
201.06207	1.8
209.11842	2.5
210.29018	1.6
211.13406	3.2
223.09724	3.7
223.13237	2.2
225.11467	2.3
241.10835	3.1
250.31952	1.8
253.09358	6.5
291.19650	3.8
305.17667	2.2
307.19110	3.8
309.20612	5.6
327.22021	2.9
353.23477	2.8
399.22235	2.2
403.94684	2.3
543.27710	2.2
769.40173	98.3
770.40643	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.5
68.34514	0.5
69.02264	0.4
69.28674	2.9
69.29105	2.0
71.01386	0.8
74.45068	0.4
75.00883	1.2
78.84612	0.4
83.01398	1.4
83.88927	0.5
92.28332	0.4
93.03463	22.3
94.03826	1.2
103.05523	0.5
103.97408	0.5
107.05052	1.3
117.03456	1.6
118.99877	4.1
119.05038	9.3
120.05345	0.7
121.02978	0.8
121.06592	0.9
130.04276	1.1
131.05035	8.8
133.02914	0.6
133.06592	6.9
134.06938	0.9
135.04495	0.9
145.02951	5.9
147.04530	14.0
149.06102	5.3
158.03741	1.9
159.04529	6.5
163.03981	2.2
165.71846	0.5
175.04016	2.9
177.05576	100.0
178.05905	7.3
221.04541	1.9
265.03543	8.5
266.03836	0.7
535.67981	0.5
680.18732	0.5
725.38727	0.6
779.25970	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.2
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.2
59.33104	0.3
68.31599	0.2
69.43786	0.2
71.01370	0.6
71.61881	0.4
73.02952	0.3
75.00895	0.5
93.03461	0.5
99.00877	0.3
101.02450	0.6
104.05167	0.3
118.78249	0.3
119.05035	38.0
120.05393	1.4
121.02946	0.4
122.03753	11.3
123.04046	0.3
135.04521	1.1
136.04021	1.9
152.03543	100.0
153.03889	3.9
165.04308	1.2
194.04536	2.3
205.80505	0.3
285.03925	0.3
300.14899	0.3
394.72095	0.3
448.53214	0.3
623.30762	0.5
681.31622	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88983	0.6
59.01385	15.1
61.98832	4.1
63.89790	0.6
71.01389	2.6
78.95909	1.0
80.96500	1.1
88.32787	0.9
89.02434	1.4
90.18698	0.6
101.02464	2.1
113.02431	0.8
161.04539	1.0
173.39084	0.7
181.12437	0.8
183.13919	5.3
190.94925	0.7
193.12354	1.2
211.13400	100.0
212.13719	7.6
235.08247	2.5
253.09254	7.5
277.21732	76.6
278.22037	8.4
348.42871	0.8
429.21188	1.2
447.22314	5.8
513.30817	1.0
767.42126	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.4
60.86737	0.3
61.98833	100.0
71.61576	0.3
92.34473	0.3
119.06679	0.2
121.51019	0.2
123.03859	0.3
130.67250	0.3
211.13478	0.6
277.21838	0.4
302.19159	0.3
309.77933	0.3
332.88779	0.3
713.97015	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	12.5
61.98827	5.7
69.03457	3.7
70.19801	3.0
70.20195	2.8
71.01395	11.2
71.05025	2.9
73.02954	4.5
81.03474	3.7
83.01392	1.6
83.05036	4.4
85.02948	2.4
89.02448	5.9
93.03503	1.4
93.53230	1.1
95.05042	3.4
97.02982	2.4
97.06580	2.2
99.04542	1.9
99.92572	2.0
101.02468	7.2
109.06589	3.5
111.04552	1.4
111.08104	1.7
113.02473	4.2
115.07636	2.3
116.92862	18.6
117.01925	1.5
119.03554	1.7
121.02900	1.4
125.05999	1.4
125.09727	6.6
127.07671	2.9
127.11351	1.4
135.04498	1.7
135.08195	4.3
137.09729	1.6
141.09242	1.6
153.09225	23.5
154.09502	1.7
155.10870	1.7
161.04572	2.9
163.11310	4.1
165.12807	2.2
167.10770	3.5
171.10275	32.8
178.09961	3.3
179.05611	1.6
179.10773	2.7
179.14430	4.0
185.11871	8.2
191.10718	1.8
191.14452	1.4
192.31183	1.2
195.13844	9.0
197.11797	13.7
205.12341	11.3
207.10274	2.0
209.09845	3.2
209.11835	65.5
210.12170	5.2
211.13397	2.7
218.58066	1.4
220.60558	1.3
223.13400	100.0
224.13713	6.9
227.12955	1.3
235.08247	4.6
238.11987	2.6
245.18999	3.6
251.16556	1.5
253.09225	13.5
255.12828	1.4
256.86813	1.4
277.18085	1.8
289.18057	18.1
290.18469	2.9
297.20639	3.0
306.07657	3.5
306.54581	1.6
307.19153	94.4
308.19519	10.0
325.16461	2.9
325.20209	44.4
326.20493	3.2
333.96216	1.5
351.21262	1.4
359.22662	1.5
459.22433	4.7
474.20663	2.2
525.26740	7.8
543.28156	28.1
544.28406	5.0
561.29150	7.5
562.29626	2.0
618.64624	1.4
680.33978	4.8
705.37866	1.7
749.41095	13.9
750.41541	3.9
767.42114	7.0
768.41479	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	765.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	22.1
61.98835	100.0
69.03451	2.9
71.01398	18.1
71.61687	2.0
71.62074	2.4
73.02931	5.9
78.95910	3.3
83.01424	5.2
85.02947	5.2
87.00893	3.0
88.98799	6.8
89.02462	16.9
96.73150	2.8
96.96022	3.5
97.02953	4.0
97.06597	4.1
101.02462	12.4
107.05017	2.6
113.02462	6.8
119.03524	3.3
125.02370	3.5
125.09749	3.2
143.03450	2.8
177.12708	2.6
181.12300	3.0
185.11815	4.6
191.14392	5.0
200.19623	2.4
209.11841	15.2
211.13373	2.6
226.15756	2.7
227.12946	3.8
235.08266	4.8
240.79874	2.5
245.19067	8.1
263.20105	2.7
266.14886	2.2
289.18100	36.9
290.18549	4.1
307.04303	2.4
307.19156	51.6
308.19336	4.7
345.50983	3.0
397.13528	26.5
398.13873	5.0
415.14545	22.0
450.75543	2.6
607.25854	4.6
677.94476	2.5
705.33386	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	765.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.3
59.01381	11.7
60.26744	3.3
60.89742	2.8
61.15723	2.6
61.98834	16.1
69.03461	8.7
71.01386	4.3
71.61852	5.1
73.02924	3.1
88.98860	4.4
91.05561	3.4
93.03463	11.6
96.95997	3.4
99.41829	3.1
101.02499	4.3
109.06570	5.7
136.05328	20.9
142.66934	3.1
145.10223	3.8
149.09741	10.4
169.08722	3.3
175.07750	3.7
193.08739	4.9
195.13904	11.9
201.12819	7.9
205.12286	6.8
223.13414	100.0
223.15594	6.2
224.13719	5.9
227.10745	8.8
245.11835	18.5
250.86603	2.7
253.09456	14.0
263.12961	3.8
334.58783	3.1
377.61945	2.9
389.11337	3.0
427.41653	2.7
459.22375	11.6
583.50885	3.1
617.35065	3.6
661.32495	4.6
687.33612	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	765.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03471	0.2
59.01368	0.5
60.22334	0.2
60.99310	17.6
61.98811	0.5
69.70374	0.4
69.70799	0.9
70.15461	0.2
71.01386	0.3
87.00868	0.9
88.00403	3.2
88.98810	100.0
89.02444	10.2
89.99145	0.8
101.29897	0.2
214.17207	0.2
216.07875	0.2
223.13530	0.3
277.21713	0.6
397.13501	1.0
418.78311	0.2
453.96777	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.9
60.99310	17.4
61.98822	0.3
61.99678	0.2
67.54446	0.2
69.63692	0.2
69.70104	0.6
69.70517	0.7
71.01392	0.6
78.95893	0.4
83.98923	0.2
87.00895	1.2
88.00411	3.0
88.98811	100.0
89.02446	11.0
89.99150	0.9
96.96027	1.0
98.95589	0.4
99.00911	0.2
101.02474	0.5
113.02490	0.2
115.92088	0.4
116.92859	0.2
182.64940	0.2
195.14116	0.3
197.11813	0.5
209.11844	1.6
223.13420	2.2
253.09419	0.3
277.21701	0.5
305.17719	1.0
323.18604	0.4
397.13562	1.0
415.14539	0.5
527.58862	0.2
541.26813	0.6
729.27258	0.3
747.39911	0.5
765.26056	0.3
765.40521	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.2
57.03443	1.2
58.00576	0.8
59.01384	35.3
61.98843	1.2
69.03440	0.8
69.26700	1.3
69.27105	3.9
71.01386	15.9
71.04339	0.5
72.70564	0.5
72.99300	1.0
73.02944	8.5
75.00874	1.6
75.25018	0.4
75.65050	0.5
80.44777	0.5
83.01389	3.4
85.02957	7.5
87.00888	1.5
87.04530	2.5
89.02448	5.4
95.01376	1.4
97.02963	1.0
98.19861	1.3
99.00886	2.2
99.04512	1.0
101.01780	0.8
101.02448	14.4
101.06074	1.9
109.02959	0.7
113.02459	6.5
119.03489	1.9
125.02409	1.2
126.05202	0.5
131.03537	0.8
133.02882	0.5
135.04440	0.5
143.03479	1.3
145.03020	0.6
149.04608	0.8
159.03073	0.6
161.02440	1.2
161.04541	2.5
178.04976	0.5
250.31691	0.5
251.16473	1.1
269.17505	0.8
271.85587	0.6
328.38998	0.5
387.23911	0.9
413.21780	1.7
431.22867	5.3
432.22565	0.7
455.22821	1.0
473.23929	100.0
474.24234	17.0
488.62183	0.7
497.23685	1.4
513.66614	0.6
515.24896	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	764.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.6
61.98835	100.0
69.34927	1.1
70.98210	0.1
73.91028	0.1
87.00883	1.1
156.61479	0.1
180.89113	0.2
209.11775	0.2
211.13466	0.1
235.13512	0.2
236.13695	0.2
249.15039	0.2
253.09372	0.3
253.59866	0.2
294.21350	0.1
297.64163	0.1
303.23624	0.2
309.20691	0.2
397.13055	0.2
399.13995	0.2
751.18164	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.4437
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
78.95909	0.4
78.98622	0.4
79.95758	1.0
80.96516	3.0
94.98098	0.7
164.98595	0.8
225.00781	1.3
461.18573	0.4
580.98785	0.4
593.71637	0.5
750.11401	0.4
764.39905	0.7
765.40741	5.1
791.82733	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.3
59.82475	0.2
65.44060	0.2
69.35390	0.4
69.35667	0.4
69.35950	0.3
71.01385	0.5
72.99315	0.5
75.00875	1.0
83.01382	1.6
88.11646	0.3
93.03466	23.0
94.03806	0.8
103.05546	0.3
106.04251	0.3
107.05045	1.0
108.02161	0.4
109.02966	0.9
117.03477	1.2
118.99875	4.5
119.05040	10.5
121.02942	1.5
121.06606	1.2
123.04515	0.3
123.71948	0.3
130.04289	1.7
131.05043	9.1
133.02971	0.4
133.06613	7.8
133.07640	0.4
134.06950	0.6
135.04520	1.4
145.02957	6.0
147.04527	17.9
148.04871	0.7
149.06090	10.4
150.06430	0.5
152.37509	0.3
158.03711	2.5
159.04521	7.6
160.04832	0.6
160.60442	0.3
161.02444	1.0
163.03990	2.1
165.01976	0.4
175.04033	3.6
177.05579	100.0
178.05931	5.8
183.04745	0.3
193.05067	1.0
219.02989	1.6
221.04556	1.5
233.04518	0.6
237.04007	2.5
259.02530	0.4
265.03531	11.2
266.03909	1.1
277.03561	0.5
319.04565	0.6
337.05704	5.6
338.06018	0.7
379.53183	0.3
381.08569	0.6
399.09103	0.6
439.08829	0.3
481.09894	3.1
482.10205	0.4
488.20621	0.3
499.10977	2.6
618.45959	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77328	0.1
59.01384	0.3
61.98835	100.0
62.98528	0.2
69.41991	0.4
69.42425	0.4
71.01380	0.2
87.00891	0.4
89.02443	0.2
98.20655	0.2
101.02448	0.1
113.09655	0.1
174.54401	0.1
209.11833	2.0
227.12994	0.2
253.09421	0.2
301.21866	0.2
303.23367	0.2
304.23767	0.2
319.22690	0.5
399.14264	0.3
772.82129	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	763.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82724	1.1
59.01373	6.8
61.98836	16.6
69.03453	4.4
71.01389	5.9
71.05016	2.2
73.78682	0.8
75.74586	1.0
81.03485	1.1
83.05035	1.2
85.02943	1.4
89.02457	3.4
96.20621	1.0
99.00890	1.0
101.02432	3.7
113.02439	1.4
115.58918	1.0
123.08183	1.2
125.09737	2.4
151.11261	1.8
153.12828	2.1
161.09705	3.1
179.10808	5.4
197.11839	92.7
198.12155	6.9
223.09738	2.2
241.10779	6.2
244.13782	1.0
245.84317	1.0
253.09294	3.8
255.23381	1.8
259.24295	1.8
277.21695	2.2
303.23322	12.5
304.23697	1.6
350.94070	1.3
459.18301	1.4
477.19711	4.2
690.43726	2.8
763.42749	100.0
764.30005	2.1
764.43140	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.5
58.00588	1.8
59.01095	2.5
59.01384	34.3
61.98812	3.5
65.57805	1.3
69.03461	1.7
71.01386	27.1
71.41100	2.2
73.02929	4.4
75.30083	1.4
76.89798	1.4
79.91786	1.3
81.03440	1.6
83.01399	3.9
84.63828	1.5
85.02949	6.3
87.00877	9.2
89.02451	24.7
91.40609	1.4
95.01404	1.4
97.02930	5.1
99.00884	3.2
101.02451	20.0
111.04509	1.9
111.91150	1.3
113.02464	11.8
119.03514	7.0
125.02467	9.7
138.08215	1.3
143.03450	4.4
161.04527	4.7
179.05582	2.8
207.10287	3.1
221.06680	2.8
225.11337	3.4
235.08212	9.7
253.09247	4.2
277.21671	2.3
287.07587	4.2
301.21802	2.2
305.08810	2.7
305.24857	78.3
306.25259	7.1
319.22665	2.0
330.30246	1.6
397.13498	100.0
398.13782	7.9
415.14569	37.4
416.14917	3.8
461.18555	1.6
639.96582	1.8
763.42456	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	763.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23853	0.4
56.78588	0.4
59.01372	1.9
67.26629	0.4
69.90763	1.8
69.91183	0.9
71.01392	3.7
75.00864	1.7
85.02941	0.8
91.05539	0.5
93.03453	1.5
96.96038	0.7
97.06590	1.3
98.19912	0.7
101.02449	0.8
107.05045	1.5
108.02183	9.0
109.02966	18.7
113.02454	0.8
117.03456	0.6
119.05034	18.1
120.05372	1.7
121.02959	9.2
129.03456	1.1
133.03059	0.6
134.03760	1.9
135.04536	32.1
136.04865	1.3
143.03432	0.7
145.02950	4.4
147.04518	11.0
148.05385	2.2
149.02467	0.8
149.06094	1.2
150.03194	1.0
151.04012	1.4
161.02417	1.5
162.03271	1.1
163.04018	20.4
164.04268	0.8
173.02441	3.9
177.09296	0.8
178.02766	0.7
181.56636	0.5
191.03510	100.0
192.04207	16.5
193.05035	3.6
197.33597	0.5
205.08684	2.0
223.98386	0.5
235.02606	0.5
235.52431	0.5
250.97566	0.5
263.14487	0.5
271.02542	0.4
271.09769	1.3
289.10812	16.3
290.11136	1.5
293.10400	1.0
300.02585	0.7
301.03564	0.8
307.11917	15.7
308.12308	1.3
395.09827	1.9
462.08667	0.6
536.12531	0.6
547.28119	0.5
549.63379	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	1.3
78.95909	12.2
79.95741	4.2
82.81053	0.3
87.00885	1.1
88.00409	0.5
94.98082	0.7
96.96019	100.0
96.96931	14.0
97.95981	0.5
98.20726	0.7
103.81833	0.3
104.42406	0.3
160.17073	0.3
207.62549	0.3
223.13290	0.3
691.31659	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63500	2.1
59.01387	36.2
61.88563	2.3
61.98827	10.9
63.54273	2.3
69.03469	2.8
69.94875	2.1
71.01385	33.4
72.99290	2.7
73.02944	6.6
73.94894	2.5
78.95907	6.3
83.01384	4.6
85.02966	8.8
87.00892	6.7
89.02453	23.1
96.96040	11.6
96.96949	4.8
97.02977	6.1
98.20239	11.9
101.02457	23.8
107.07496	2.2
110.03638	2.4
113.02421	11.2
113.55046	2.6
119.03497	7.9
120.79515	2.2
125.02435	10.5
132.44284	2.3
143.03499	4.4
161.04576	4.7
179.05641	5.6
190.61694	2.3
207.10239	4.3
209.11938	4.0
211.13371	4.2
225.11362	2.9
225.30232	2.6
231.79187	2.7
235.08209	11.3
249.80602	2.4
253.09355	4.0
287.07742	7.8
305.08908	4.7
305.24896	75.6
306.25229	9.5
309.20728	5.7
397.13525	100.0
398.13834	6.5
415.14532	34.5
416.15048	3.6
763.40454	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.9
60.09334	0.4
60.60125	0.5
61.98842	2.2
63.96231	1.5
69.03465	0.9
70.03502	1.9
70.70448	0.4
71.01388	8.5
73.02950	2.4
78.98595	7.6
79.95742	16.2
80.96521	85.8
81.03444	0.8
85.02953	3.7
87.00888	4.0
94.98093	21.2
96.96004	1.4
97.02951	1.6
98.20562	0.7
99.00879	0.6
101.02458	2.7
106.98111	3.8
113.02438	0.6
119.02490	0.4
122.97585	4.3
125.02472	3.1
127.04025	0.8
134.97589	5.6
136.99161	1.6
148.99149	7.2
152.98633	7.0
160.14833	0.4
161.63843	0.4
164.98630	13.9
167.00159	0.8
167.89218	0.4
170.46658	0.4
178.47444	0.5
206.99677	2.3
223.13405	1.0
225.00748	18.3
230.66185	0.4
232.97191	0.4
255.23183	2.0
265.09924	0.4
274.61487	0.4
390.48553	0.5
415.86667	0.5
505.17838	2.4
505.23730	0.5
537.27124	1.0
700.64105	0.5
761.41486	100.0
762.41876	24.8
762.52704	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26658	0.4
59.01390	0.8
61.98834	100.0
66.45875	0.4
71.08981	0.8
75.00858	0.4
78.95922	0.9
87.00882	1.0
96.96011	2.8
96.96976	0.8
113.35392	0.4
124.87450	0.4
165.92128	0.5
373.15811	0.5
473.38879	0.4
533.54657	0.5
754.15906	0.5
755.66943	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89083	0.1
58.17330	0.2
61.98833	100.0
62.98534	0.3
71.01397	0.3
78.95953	0.2
78.98592	0.2
79.95743	0.3
80.96512	2.7
81.46513	0.1
94.98106	0.4
96.03860	0.2
122.97643	0.2
164.98653	0.5
172.93102	0.1
183.55838	0.2
206.99709	0.2
225.00757	0.7
255.23206	0.3
763.39447	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	761.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	1.1
63.96228	1.8
67.81361	0.5
69.03465	1.2
70.29170	1.1
71.01387	8.4
73.02940	1.9
78.98601	6.8
79.95743	14.7
80.96520	85.1
81.03452	1.2
85.02955	2.8
87.00870	3.7
94.98099	17.9
96.96005	1.7
97.02953	2.2
99.00903	1.0
101.02478	2.5
106.98090	3.5
108.79884	0.5
116.97668	0.5
122.97605	4.3
125.02456	3.2
134.97592	6.3
136.99115	1.0
148.99153	7.8
152.98636	7.1
164.98630	15.1
167.00163	1.0
176.24272	0.4
185.50223	0.5
206.99734	3.5
223.13338	0.7
225.00748	20.7
226.01115	0.8
243.01740	0.7
255.23343	1.2
505.17441	2.8
537.27008	1.5
581.38739	0.5
646.83142	0.6
761.41516	100.0
762.41864	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	761.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44204	1.9
55.01881	2.0
59.01386	46.6
59.41574	2.0
61.98835	8.3
69.03458	2.8
69.36396	11.1
69.36827	8.8
71.01386	36.9
72.99316	3.5
73.02958	5.1
83.01406	3.0
83.88645	2.0
85.02967	6.0
87.00880	8.8
89.02457	22.5
97.02942	4.3
97.61122	2.0
98.20569	5.2
101.02451	26.4
109.02955	10.8
113.02447	12.3
119.03508	9.1
125.02477	11.0
131.03537	3.7
143.03516	4.4
161.04616	8.8
179.05626	5.3
187.64937	2.2
187.96413	2.1
197.11894	2.3
221.06544	2.7
222.44418	2.1
235.08142	13.0
238.38171	2.2
253.09268	6.0
258.22867	2.3
259.24274	3.3
287.07700	3.5
303.23312	100.0
304.23624	12.5
305.08725	4.7
390.56662	2.2
397.13525	86.8
398.13663	8.4
415.14575	49.7
416.14847	4.4
526.69226	2.7
550.61981	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	760.449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81264	0.2
58.52507	0.1
61.98833	100.0
62.98538	0.2
62.99253	0.2
63.25891	0.2
63.96228	0.2
70.29491	0.6
71.01389	0.6
72.66915	0.2
73.02928	0.2
78.98588	0.5
79.95752	1.4
80.96523	5.9
83.78063	0.1
85.02982	0.3
87.00906	0.2
94.98099	1.4
96.96021	0.2
97.02960	0.3
101.02460	0.2
106.73763	0.1
106.98137	0.3
122.97594	0.4
134.97594	0.5
145.95821	0.2
148.99188	0.5
150.73123	0.1
152.98671	0.5
164.98625	1.0
206.99742	0.2
225.00711	1.5
255.23341	0.2
511.35892	0.2
545.70404	0.1
560.85913	0.2
761.41455	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	761.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01402	0.3
60.20836	0.2
65.00319	0.2
71.60841	0.2
73.43593	0.2
75.00882	0.4
86.77717	0.2
93.03465	1.3
95.13897	0.2
109.02965	0.5
114.26313	0.2
119.05049	0.6
121.02969	0.9
131.05011	0.4
133.02954	0.8
134.03746	43.5
135.04173	1.5
137.02454	6.7
138.02824	0.3
138.05612	0.4
139.04013	2.3
140.99548	0.2
145.02975	0.4
147.04543	0.9
149.06084	13.7
150.03217	0.8
150.06451	0.9
151.46228	0.2
159.04521	0.5
177.05574	2.8
178.02721	27.9
179.03079	1.5
193.05060	100.0
194.05403	5.7
227.68875	0.3
233.63748	0.2
355.10349	17.6
356.10580	1.3
495.11505	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.4
61.98814	1.4
67.46250	0.5
71.01373	1.4
71.61906	0.8
72.99291	0.6
73.02950	0.8
75.00876	1.1
78.95907	100.0
85.02975	0.8
96.96000	1.4
96.96958	5.2
98.88918	0.5
99.95780	0.5
101.02470	1.0
102.33073	0.4
106.48859	0.5
107.31097	0.5
113.02467	0.8
116.92904	1.1
135.04500	0.5
138.92000	0.5
145.02887	0.6
152.99593	1.1
164.04599	0.4
171.00641	58.9
172.00993	1.1
201.11310	1.0
296.26099	0.7
502.29697	0.6
544.31311	12.0
545.31592	1.9
562.32709	0.8
674.31262	2.1
716.31958	5.0
716.42810	1.2
717.32916	0.8
760.32294	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05224	0.3
54.68941	0.3
61.98834	100.0
65.50817	0.3
66.05045	0.3
68.83948	0.3
69.68246	2.1
98.44428	0.3
99.39938	0.3
116.23631	0.3
160.84229	1.4
198.70129	0.3
223.23920	0.3
267.39767	0.4
389.07013	0.4
471.39496	0.5
726.55963	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.34440	1.4
61.98836	26.4
62.60725	1.2
66.68055	1.4
71.01377	10.4
71.10436	3.5
73.02937	3.7
78.91898	2.4
83.01376	2.8
85.02960	7.9
87.00880	33.9
88.98769	1.6
93.45457	1.4
96.96018	3.7
99.00883	1.5
101.02453	7.0
113.02445	3.3
116.92870	5.7
118.99812	1.4
125.02448	4.8
125.09792	1.5
143.03485	1.8
171.10248	1.4
254.24097	1.3
360.25192	1.6
567.38873	7.4
568.39001	2.3
585.40320	11.9
586.40582	1.8
593.37006	1.9
612.71039	1.6
627.37000	8.8
671.40192	21.7
672.40424	4.3
715.42065	2.8
791.13464	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	1.5
58.00605	1.3
58.42798	0.9
59.01383	100.0
59.09055	1.1
60.01717	1.3
61.98837	20.7
64.32775	1.0
71.01385	11.9
72.99303	1.3
73.02946	5.9
75.00882	3.0
83.01411	1.7
83.05048	1.7
85.02950	7.1
87.00879	30.0
87.04522	2.9
88.98780	1.1
89.02422	1.5
97.06644	2.4
99.00894	1.2
101.02422	7.9
103.00379	2.3
108.24651	0.9
109.10497	1.0
111.00874	1.5
113.02485	3.8
113.06091	2.6
114.88751	1.0
116.92907	1.6
121.56353	1.0
123.08173	3.4
125.02438	3.6
125.06099	2.6
125.09720	7.9
125.19251	1.0
127.11363	1.0
139.07607	1.4
141.69032	0.9
145.02965	1.6
153.09142	1.3
155.10753	3.8
157.08684	1.8
161.04575	1.6
167.07115	1.9
171.10262	4.4
183.10257	3.5
185.15446	1.3
201.11327	68.7
202.11678	4.7
215.12897	2.8
243.12370	1.8
310.61722	1.1
323.22269	2.5
431.28360	2.4
449.29044	19.8
450.29504	3.8
467.30170	15.6
468.30432	3.7
567.39252	12.7
568.39392	3.3
585.40271	11.1
586.40198	3.1
593.36829	2.2
627.37616	7.8
628.38611	1.6
671.40216	22.1
672.40369	5.2
715.39929	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	758.3975
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
62.98584	0.2
64.39035	0.2
66.30624	0.2
70.32407	0.2
130.87619	0.2
228.08673	0.2
251.20496	0.2
343.90170	0.2
360.65164	0.2
708.60181	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80021	4.4
59.01380	41.3
61.98840	43.8
71.01385	29.4
71.16465	7.7
73.02959	7.7
77.42827	3.6
77.53168	3.3
80.91677	9.3
82.95431	30.9
83.01411	3.9
84.00928	4.1
87.00904	5.5
89.02445	25.2
91.69908	3.7
97.02969	5.2
101.02457	23.3
101.77475	3.6
105.08650	4.0
113.02463	11.0
119.03513	5.4
124.72639	4.1
125.02446	12.2
135.04503	6.8
143.03476	6.5
143.05002	4.6
159.04507	47.9
161.04582	8.8
166.47438	4.3
176.84575	3.4
179.05589	7.1
185.06119	4.0
201.05615	9.0
218.46918	4.1
223.13321	4.4
231.65921	3.8
235.08255	14.3
245.02182	4.8
245.04529	22.5
253.09352	4.2
257.22882	5.3
277.21826	5.4
284.52469	3.7
287.07797	4.5
301.21722	74.9
302.22058	11.1
305.08807	4.6
317.13126	4.0
393.20569	7.4
397.13470	100.0
398.13980	10.1
415.14474	38.3
416.15182	4.9
513.24731	6.2
529.24902	21.2
530.24133	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	759.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	1.7
59.01385	42.3
61.98836	10.3
69.03464	3.5
70.35024	5.8
70.40303	1.9
71.01385	30.0
72.99313	4.0
73.02961	4.7
77.49922	1.6
81.03503	2.2
82.95411	4.1
83.01411	3.0
85.02959	9.5
87.00906	4.0
89.02450	25.8
95.01424	2.2
97.02958	3.7
100.42147	1.6
101.02451	25.6
105.01952	8.6
113.02464	10.4
115.22849	1.8
116.92875	4.7
119.03515	7.5
125.02450	11.6
126.19444	1.6
132.25908	1.7
139.04071	1.9
143.03552	3.9
161.04590	4.6
167.78221	2.0
179.05661	4.4
203.18178	1.8
203.94389	1.8
235.08279	13.3
253.09305	4.2
257.22815	9.4
287.07715	2.9
301.21725	82.9
302.22153	10.0
305.08807	3.0
323.10144	2.1
397.13519	100.0
398.13867	9.4
415.14594	43.3
416.14838	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	757.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	26.4
61.98817	3.7
71.01392	5.2
73.02956	2.2
75.00883	1.4
85.02946	4.0
89.02454	1.4
96.96000	3.1
97.56628	0.9
101.02438	3.2
113.02470	2.2
116.92868	1.1
119.03533	0.9
119.04993	0.9
125.02382	0.8
126.51973	0.9
131.69734	0.8
135.04552	1.2
135.08200	1.1
137.06107	1.7
138.94148	0.9
149.06067	2.7
150.06874	25.1
151.07234	1.4
155.10674	1.0
161.04333	0.8
162.06755	0.9
163.03918	0.9
163.07664	13.2
164.08328	3.5
165.05548	3.9
166.77444	1.0
178.09985	2.2
179.10875	6.5
199.82883	0.9
201.11328	2.3
208.50746	0.9
217.10783	1.0
285.03937	0.9
329.23218	2.8
330.23383	1.0
443.66766	1.0
446.33960	2.6
447.34683	3.6
448.31763	3.5
449.32663	1.8
462.33414	2.1
463.34338	4.1
490.32971	3.0
491.33768	1.4
508.33878	3.3
509.35223	11.4
510.35278	2.0
593.37042	1.0
609.40118	2.4
611.37781	1.7
653.38867	1.3
713.41217	100.0
714.41467	29.6
757.37518	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81486	0.1
56.84546	0.1
59.87183	0.2
61.98835	100.0
62.98554	0.1
73.66270	0.1
76.85519	0.2
78.95913	0.2
98.20241	1.0
127.96173	0.2
132.36220	0.1
179.89034	0.2
201.11057	0.2
206.25645	0.2
229.26001	0.2
256.97299	0.1
275.20670	0.1
277.21933	0.2
388.36014	0.2
482.39481	0.2
526.92413	0.2
652.32227	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05890	0.9
57.32117	0.6
59.01373	1.5
61.98819	1.2
66.73959	0.7
71.61679	0.8
72.99310	1.2
78.95897	1.4
85.02943	0.8
86.42992	0.8
87.00903	1.9
94.52390	0.7
96.96001	1.7
97.06598	3.0
104.13123	0.6
106.92400	0.7
107.79433	0.9
109.02953	0.8
119.05058	1.1
136.05301	2.1
143.07120	1.4
149.06091	1.2
150.06876	22.8
151.00328	0.9
151.07298	0.9
161.02464	1.0
162.06844	1.7
163.07663	6.2
164.08453	5.0
165.09166	1.8
173.08212	1.9
177.05560	1.3
177.09225	1.2
178.09985	1.2
179.10786	9.7
180.11107	0.9
215.09241	4.5
255.02809	0.8
284.03580	1.4
285.04105	1.7
285.17001	1.1
300.02805	0.9
302.27267	0.8
320.20227	1.0
327.21811	3.3
329.19693	5.2
335.22061	1.0
409.42838	0.8
446.30319	1.4
462.29517	1.0
490.29059	1.4
491.30020	2.2
508.30515	6.4
509.31226	15.0
510.31641	2.7
653.35242	1.7
671.36804	2.5
678.12982	0.9
713.37579	100.0
714.37939	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	757.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37396	1.7
57.03427	1.9
59.01387	28.8
61.98845	11.4
69.57265	4.4
69.57670	12.1
71.01381	6.6
73.02947	4.5
75.00873	4.9
78.95907	5.1
80.70439	2.5
85.02969	3.0
87.04517	2.4
89.02436	2.3
96.96028	12.1
101.02450	4.0
109.02980	2.7
113.02482	3.2
117.03364	2.4
119.05045	3.6
121.06613	2.6
125.02503	2.4
125.09747	3.7
135.04549	4.1
136.05273	3.0
145.02933	2.6
149.06133	4.9
150.06877	41.9
161.02419	2.4
162.06844	3.0
163.07640	21.9
164.08325	7.2
165.05605	4.3
168.26395	2.0
171.10294	2.6
177.05495	3.7
179.07121	12.6
179.10797	17.9
180.56337	1.9
182.31073	2.1
187.09799	2.6
201.11324	24.7
297.24362	3.8
299.22153	6.9
322.88974	2.0
329.23245	5.1
392.57266	2.0
447.27515	4.7
461.32678	2.9
465.28580	4.9
478.33139	6.1
479.33655	7.5
480.34055	2.2
490.32617	4.3
491.34177	3.3
493.28537	2.1
508.34052	9.5
509.35187	4.2
549.79291	2.2
669.37280	2.4
713.41260	100.0
714.42084	21.1
757.35370	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	757.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20890	1.3
59.01385	22.5
68.66375	1.1
71.01383	1.4
71.38106	2.2
75.00883	3.9
81.95962	1.0
89.01264	1.1
93.03471	1.9
101.02438	1.6
107.41451	1.1
109.02929	2.6
113.12296	1.0
117.94751	1.0
119.05038	100.0
120.05369	6.2
145.02950	4.1
159.04515	2.1
161.02463	2.9
177.05574	1.1
205.50298	1.2
227.03540	2.4
236.09172	1.2
255.03061	2.7
279.02994	2.6
284.03259	3.4
285.04086	11.0
286.04398	1.3
300.02679	1.3
418.00220	1.3
593.13226	3.5
701.31458	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	5.8
59.01637	1.0
61.98828	2.6
65.13759	1.1
68.52613	1.1
69.19160	0.9
71.01391	2.9
71.41457	1.7
75.00867	4.3
75.45735	0.9
78.95905	5.8
85.02944	3.0
87.00878	1.1
89.02445	1.2
93.03432	1.0
96.96031	8.2
97.02975	1.6
97.06561	1.2
97.74373	1.1
101.02467	2.4
109.02933	1.4
109.06563	1.4
119.03517	1.6
119.05055	1.2
135.04507	1.3
135.08185	1.3
135.82201	1.0
136.05296	4.7
137.06030	1.2
149.06097	5.2
150.06877	46.5
151.07201	1.4
152.99632	1.2
162.06895	3.2
163.07666	23.6
164.08430	6.9
165.09171	2.9
177.05524	1.9
177.09236	2.2
178.10022	2.0
179.10786	22.6
180.11211	1.5
211.07655	1.6
221.04636	1.2
227.03542	2.4
232.44093	1.1
255.03004	5.4
279.02893	1.6
284.03241	7.5
285.04105	13.9
286.04376	1.6
287.22061	1.6
300.02899	1.7
313.20242	1.4
329.19971	2.8
335.22107	1.2
364.22574	1.7
391.25046	1.4
392.25696	6.0
393.26294	2.8
428.28955	1.5
431.26791	1.3
432.28677	2.9
446.30295	12.9
447.09442	5.8
447.31094	10.7
449.27576	1.6
462.30005	1.9
463.30322	2.9
472.28409	1.5
473.28998	2.7
479.30411	1.5
490.29550	3.9
491.29990	4.5
508.30371	3.7
509.31216	9.5
653.35632	22.3
654.35730	5.2
671.36414	8.9
672.36475	1.4
713.37604	100.0
714.37933	26.6
757.18341	1.4
757.34668	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	757.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.3
61.47061	0.5
69.96688	2.6
71.01379	1.3
72.99325	0.5
75.00880	2.7
83.01394	1.4
89.02423	0.6
93.03465	21.8
107.05042	1.3
109.02958	4.7
113.02528	0.7
117.03499	0.6
118.99867	3.0
119.05029	9.2
121.02961	1.7
121.06657	0.5
123.04585	0.6
125.02449	1.2
130.04256	1.6
131.05048	8.5
133.06609	6.4
135.04536	4.6
145.02953	5.0
147.04536	17.3
147.26469	0.6
148.04820	0.9
149.06085	4.9
149.97089	0.5
151.00394	0.5
153.01974	5.0
158.03748	2.3
159.04515	7.1
161.02425	2.3
163.04036	2.8
175.04034	2.1
177.05580	100.0
178.05945	6.3
184.11179	0.6
189.01996	0.6
221.04555	1.2
265.03470	8.0
269.08163	0.9
289.10867	0.5
297.06198	2.4
433.11349	1.9
468.20700	0.6
477.10477	5.6
478.10626	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80862	1.1
59.01382	4.9
65.49357	1.2
71.01363	1.9
75.00874	2.1
92.03458	1.3
93.03458	6.3
101.02409	1.5
108.02150	1.4
109.02970	13.6
117.03461	2.0
119.05041	4.6
123.88428	1.5
124.56164	1.2
133.02971	3.2
135.04549	6.4
135.23549	1.2
143.04916	1.7
145.02904	4.7
147.04457	1.3
151.00374	2.4
153.01967	9.3
159.04576	1.4
161.02460	7.3
163.00464	1.2
163.04019	1.2
177.01910	7.3
177.22560	1.2
187.04066	1.5
189.01910	2.7
196.05412	1.6
197.06026	2.6
211.04002	4.1
213.05568	5.4
224.04846	2.6
225.05513	3.7
227.03455	19.3
227.06943	1.5
228.04066	2.5
229.05078	2.3
236.27966	1.2
237.05568	2.2
239.03481	3.2
239.07144	3.9
240.04277	3.4
241.05118	2.2
244.09749	1.5
253.05075	22.3
254.05540	3.7
255.02933	13.7
255.06725	2.9
256.03552	2.6
257.04697	2.0
265.04950	1.5
267.02991	15.1
268.03604	3.8
269.04514	3.7
270.04965	1.8
271.06213	1.4
279.03030	1.2
281.04535	8.5
282.05371	6.9
283.02475	14.2
283.06079	10.3
284.03201	11.0
285.04047	18.0
295.02542	2.5
297.06293	3.4
309.03723	1.4
310.04831	41.5
311.05582	49.0
312.05896	4.0
332.06781	3.1
333.07373	2.3
347.09219	22.4
348.09647	2.4
361.07144	2.0
375.08951	2.7
376.09531	1.6
389.06750	6.5
390.06912	1.8
403.07947	1.7
404.09006	12.8
405.09738	6.2
430.06741	3.5
431.07678	8.0
433.11343	3.7
449.08755	1.5
477.10345	12.1
478.10770	2.9
593.14990	4.7
619.16827	29.5
620.16937	4.6
713.20862	3.4
739.18768	10.2
740.18848	2.9
757.19879	100.0
758.20135	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74462	0.3
56.13095	0.2
56.94651	0.3
59.87790	0.3
70.76816	0.7
71.01363	0.4
72.99313	0.6
75.00870	2.7
81.03419	0.4
86.71648	0.3
93.03455	1.1
98.91420	0.3
100.88778	0.3
101.92210	0.3
108.02169	1.5
109.02954	100.0
110.03298	6.1
111.03387	0.5
118.99862	3.2
119.05000	0.8
121.02956	0.6
131.05014	0.9
133.02957	1.9
135.04494	1.0
145.02982	0.7
145.71098	0.3
147.04501	1.8
148.05254	0.3
149.06096	4.3
159.04507	0.4
161.02454	12.9
162.02762	1.0
175.04004	0.9
177.05573	4.5
178.05901	1.0
179.03471	1.0
191.03506	4.5
192.04167	1.0
193.05043	8.6
194.05394	0.5
221.04395	0.3
237.04036	5.8
238.04523	0.5
265.03458	0.5
281.03055	5.4
282.03476	0.5
301.96970	0.3
313.09314	1.3
338.82266	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.7
61.98834	1.1
63.02392	1.2
65.00319	1.1
71.61679	0.8
74.68098	0.5
75.00862	2.5
78.95908	5.4
83.01418	0.7
86.28764	0.5
93.03452	4.5
96.96019	2.9
96.96964	0.4
102.44430	0.5
103.74030	0.4
105.97653	0.6
107.01429	2.4
109.02969	1.2
115.00359	0.5
116.92939	0.6
117.03467	0.9
119.05037	2.1
121.02991	0.5
131.05070	1.2
132.02231	0.8
133.02914	0.5
135.00926	1.1
135.04536	1.0
143.05064	3.2
143.99513	0.5
145.02946	2.3
147.04440	0.9
149.02412	0.5
151.00392	3.3
152.99606	0.7
153.01894	0.8
153.06622	0.5
157.06589	0.9
158.03729	0.5
159.04514	1.8
161.02444	1.3
163.00398	2.9
163.04022	0.7
169.06621	0.6
171.00658	0.9
171.04565	1.2
177.05589	2.0
183.04546	0.9
185.06091	2.1
187.04019	4.6
189.05606	1.3
191.03339	0.5
195.04523	0.8
197.06018	1.4
199.03970	0.7
200.05031	0.5
210.06815	0.7
211.04045	1.7
211.07617	9.0
212.07913	0.7
213.05637	2.3
215.03490	0.9
223.07629	1.0
227.03500	18.6
228.03809	1.1
229.05008	11.4
230.05273	1.0
235.07565	1.6
237.09224	1.6
239.03474	1.9
240.04240	0.9
241.04959	1.6
241.55771	0.5
255.02994	31.9
256.03506	4.0
257.04575	6.8
258.05038	0.9
265.08640	3.6
267.02975	1.2
283.02475	0.8
284.03265	37.5
285.04044	100.0
286.04404	8.7
306.49149	0.5
309.07761	1.8
325.66925	0.6
327.08792	1.6
345.10941	0.7
429.08884	0.7
447.09326	30.3
448.09824	3.4
471.13065	2.0
545.09436	6.1
546.09387	1.0
593.12952	0.6
594.31360	0.6
607.14990	1.0
713.18774	10.9
713.37854	1.3
714.19537	1.9
756.36646	1.2
757.17822	11.2
757.35144	1.6
758.17981	3.7
771.43066	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
82.87843	0.2
82.97868	0.2
89.21369	0.2
98.19830	0.5
118.06760	0.2
124.04609	0.2
135.96260	0.3
174.55562	0.2
209.11833	0.4
215.97252	0.2
251.20206	0.7
252.20567	0.3
277.21713	0.3
296.08804	0.3
353.68356	0.3
736.71637	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.5
61.43574	0.3
61.98836	100.0
70.62766	0.6
109.06625	0.3
163.11409	0.3
197.11899	0.6
207.10272	1.7
225.11305	0.5
253.09393	0.6
253.21732	4.1
277.21884	0.8
278.22153	0.4
279.22632	0.3
311.62674	0.3
697.42395	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83879	0.3
55.11422	0.3
60.45628	0.3
61.98834	100.0
68.08349	0.3
71.61564	0.3
72.23347	0.3
73.42142	0.3
93.96263	0.3
100.41365	0.3
163.21472	0.3
185.57550	0.3
234.73509	0.3
754.12329	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.1
61.98833	100.0
62.98537	0.2
69.45926	0.1
80.95358	0.1
100.67751	0.1
101.35101	0.1
111.41963	0.1
139.05182	0.1
194.49565	0.2
207.10266	0.2
209.11827	0.5
223.13548	0.2
249.18729	0.2
251.20129	0.3
253.09198	0.1
277.21841	0.1
369.27228	0.1
426.91339	0.1
496.33066	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96346	1.5
59.01385	14.7
61.98832	14.8
68.63659	1.8
71.01392	4.6
71.62003	3.8
71.73565	2.1
73.02952	3.9
75.00869	3.4
78.95894	2.5
96.96033	9.2
97.02876	2.0
101.02457	3.9
113.14208	1.8
119.05008	3.8
136.05353	1.9
137.06073	2.4
149.06079	4.6
150.06865	45.9
151.07222	2.9
163.07649	22.3
164.08394	7.5
165.05502	2.1
171.10321	2.8
179.10803	14.3
187.44484	2.0
196.66129	1.9
327.21817	8.7
430.30511	2.2
444.32382	7.5
445.33228	10.9
461.32849	1.8
488.31445	3.0
506.32291	10.6
507.33582	21.8
508.33493	5.3
607.38660	5.2
651.37915	3.1
669.37811	3.4
711.39618	100.0
712.39941	25.8
755.38373	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	755.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67609	15.7
62.57280	15.0
69.76863	100.0
98.20594	34.3
223.13335	22.9
277.21692	25.1
303.99966	18.5
426.97626	18.8
477.01733	17.5
498.06250	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	17.7
61.98838	13.9
69.50355	11.1
71.01392	5.9
74.05515	1.5
75.43534	1.5
75.55152	1.4
80.10555	1.6
81.03442	1.5
82.45300	1.4
83.05035	2.3
85.02962	2.1
86.39597	1.4
87.00895	1.7
89.02455	5.3
97.02960	6.1
101.02490	4.9
103.32185	1.4
109.06583	28.7
113.02439	2.5
117.07087	1.8
121.06577	2.6
121.45411	1.5
122.21541	1.6
128.47565	1.5
135.08163	3.5
143.38887	1.4
145.04993	1.6
151.75362	1.6
161.04494	1.8
161.09760	2.1
163.11311	17.7
168.65578	1.4
172.83466	1.6
181.12369	3.1
183.46370	1.6
189.09254	2.9
207.10262	100.0
208.10672	8.3
209.11807	5.5
210.26028	1.7
216.82224	1.5
225.11319	32.9
225.67917	1.5
226.11829	1.9
235.08342	2.2
251.20161	82.5
252.20508	8.0
253.09296	14.3
277.21710	5.2
313.59775	1.8
316.76263	1.5
382.67532	1.7
443.19061	6.6
461.20227	12.1
462.20441	1.6
695.40216	33.1
696.40387	9.1
755.42773	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16796	0.7
57.03447	0.8
59.01380	4.0
61.98827	4.0
69.35233	6.0
69.58465	0.6
71.01386	1.4
71.84077	0.6
72.09384	0.6
73.02940	0.8
75.00881	1.4
78.95914	0.6
79.27673	0.6
85.02955	1.9
87.00874	2.0
96.95995	3.1
99.04499	1.1
101.02437	0.7
111.04539	1.5
111.08176	1.3
116.92893	1.0
129.05585	0.8
133.42670	0.6
135.08202	0.6
136.05287	0.9
137.06068	0.9
139.33073	0.7
149.06067	4.2
150.06865	30.7
151.07298	1.4
157.08713	1.0
162.06854	1.5
163.07654	15.9
164.08401	4.2
165.05547	1.3
176.08403	1.5
177.09035	0.8
178.10022	1.9
179.07184	6.0
179.10770	7.0
180.55595	0.7
180.58684	0.8
213.11357	1.9
263.20160	0.7
279.23477	0.8
283.19067	1.0
325.23718	3.2
327.21826	7.3
328.22296	0.8
420.88702	0.7
428.28741	0.7
445.33157	2.5
446.30322	5.6
460.31897	4.1
461.32764	5.6
462.33060	1.3
463.27505	0.9
488.31534	4.8
489.32101	1.5
504.79901	0.7
506.32571	6.4
507.33691	12.5
508.33621	2.4
669.38629	2.4
711.39618	100.0
712.39972	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	755.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86120	0.2
59.01385	1.2
60.99310	19.6
64.95816	0.2
70.18523	1.1
78.95904	0.9
87.00878	1.1
88.00404	3.3
88.98812	100.0
89.02446	12.8
89.99163	1.5
90.02844	0.3
98.20027	0.3
110.02393	0.2
170.70546	0.3
171.10260	0.6
172.17935	0.3
209.11919	0.6
211.13495	0.3
223.13354	0.4
225.11455	0.4
231.95328	0.3
309.20743	0.3
754.06665	0.3
755.32501	0.3
755.44397	0.3
774.95032	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.8
57.03439	0.6
59.01381	100.0
60.01719	1.1
61.98839	1.2
69.87207	1.7
71.01386	5.8
73.02943	3.2
78.34672	0.4
83.01409	1.4
85.02962	3.2
87.00851	0.6
95.01424	0.5
96.96053	1.0
98.19989	0.7
99.00902	1.3
101.02451	6.0
101.52287	0.4
113.02429	2.5
126.15717	0.5
150.06860	0.5
161.04538	2.3
213.46974	0.4
252.37074	0.4
291.18155	13.3
292.18588	1.1
295.89252	0.4
316.59567	0.4
333.19162	3.3
400.21906	0.4
410.03531	0.5
711.39795	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92051	0.6
59.01370	1.9
71.61678	0.7
73.02919	0.6
75.00885	1.2
83.01382	0.7
89.02448	1.5
93.03474	2.3
101.02437	1.2
107.01392	1.0
109.02953	1.8
117.03465	0.5
119.03529	0.6
119.05022	1.5
121.02966	0.8
125.02467	1.3
133.06563	1.0
135.04517	1.7
143.40088	0.6
145.02977	1.4
147.04506	1.9
151.00374	2.7
153.09436	0.5
159.04562	0.8
161.02412	1.7
163.00453	0.6
164.19582	0.5
171.04456	1.0
174.03123	0.6
177.01956	1.6
177.05574	5.1
179.03470	1.3
183.04521	1.6
189.11305	0.6
191.03625	0.6
193.05066	0.8
195.04521	0.9
211.04012	1.9
213.05521	1.1
227.03499	13.6
228.03902	1.4
229.05038	2.2
239.03610	0.8
243.03036	0.9
253.05017	0.6
255.02988	47.7
256.03391	5.3
257.04529	1.7
267.02838	0.6
279.02908	1.0
283.02502	52.4
284.03241	53.4
285.04025	36.9
286.04465	3.1
327.05038	1.8
349.14993	3.9
351.16650	5.2
376.05167	0.6
446.08563	3.6
447.09332	1.0
593.15143	100.0
594.15466	18.2
635.16681	0.9
711.22894	0.7
755.20361	4.4
756.21204	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.168
Annotation	Unknow
Peak:m/z	Relative Intensity
69.93475	0.7
71.01389	0.4
72.99314	0.6
75.00880	2.2
81.03464	0.3
108.02191	1.3
109.02962	100.0
110.03292	3.8
115.21545	0.1
118.99870	3.2
119.05106	0.2
121.02963	0.2
133.02972	1.2
135.04527	1.4
147.04553	0.5
148.05319	0.3
149.06090	3.2
151.03987	0.2
161.02466	10.2
162.02838	0.4
175.04044	0.4
177.05624	0.4
179.03543	1.0
191.03517	2.9
191.10489	0.2
192.04247	0.4
193.05077	11.0
194.05431	0.4
237.04065	4.4
238.04356	0.3
281.03043	5.5
282.03363	0.3
311.07858	0.4
379.05545	0.2
386.00903	0.2
388.69931	0.2
513.04785	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92051	0.6
59.01370	1.9
71.61678	0.7
73.02919	0.6
75.00885	1.2
83.01382	0.7
89.02448	1.5
93.03474	2.3
101.02437	1.2
107.01392	1.0
109.02953	1.8
117.03465	0.5
119.03529	0.6
119.05022	1.5
121.02966	0.8
125.02467	1.3
133.06563	1.0
135.04517	1.7
143.40088	0.6
145.02977	1.4
147.04506	1.9
151.00374	2.7
153.09436	0.5
159.04562	0.8
161.02412	1.7
163.00453	0.6
164.19582	0.5
171.04456	1.0
174.03123	0.6
177.01956	1.6
177.05574	5.1
179.03470	1.3
183.04521	1.6
189.11305	0.6
191.03625	0.6
193.05066	0.8
195.04521	0.9
211.04012	1.9
213.05521	1.1
227.03499	13.6
228.03902	1.4
229.05038	2.2
239.03610	0.8
243.03036	0.9
253.05017	0.6
255.02988	47.7
256.03391	5.3
257.04529	1.7
267.02838	0.6
279.02908	1.0
283.02502	52.4
284.03241	53.4
285.04025	36.9
286.04465	3.1
327.05038	1.8
349.14993	3.9
351.16650	5.2
376.05167	0.6
446.08563	3.6
447.09332	1.0
593.15143	100.0
594.15466	18.2
635.16681	0.9
711.22894	0.7
755.20361	4.4
756.21204	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03461	0.9
69.56725	4.1
71.01379	0.9
72.99293	0.8
75.00862	3.2
83.01394	1.9
93.03461	24.7
94.03791	0.7
97.02952	1.4
103.10197	0.5
105.77989	0.5
107.05027	1.2
108.02161	0.8
109.02958	22.2
116.59623	0.5
117.03485	1.0
118.99861	6.8
119.05039	11.5
121.02981	7.7
121.06572	1.3
123.04561	1.1
125.55161	0.7
127.04037	0.6
130.04262	1.5
131.05031	10.1
132.05379	0.6
133.06606	10.3
135.04530	2.4
145.02977	10.0
146.03723	1.1
147.04535	21.1
148.04875	0.7
149.06094	8.4
157.05048	0.8
158.03722	3.0
159.04521	12.1
160.05028	0.6
161.02428	2.7
161.06085	7.6
163.04019	2.3
172.05284	2.0
173.06067	6.1
175.03952	4.3
177.05574	100.0
178.05916	6.8
185.06056	1.3
187.03993	1.1
189.05447	1.2
193.05020	1.1
199.03906	0.9
201.05569	6.5
203.07106	0.7
213.05589	3.0
219.06638	5.9
221.04605	2.0
225.05511	0.7
231.06589	2.7
235.05940	0.6
243.06595	6.0
261.07602	3.8
265.03510	9.3
266.03790	0.9
269.08212	1.7
277.08765	0.6
279.06534	1.2
281.03064	0.7
281.08340	0.7
283.09802	2.2
295.09836	1.9
305.08163	2.3
306.05038	0.7
307.06125	2.9
307.09451	1.1
308.06454	0.7
323.09253	12.3
324.09512	1.4
325.07355	0.7
335.09390	0.8
339.08685	0.8
341.10321	1.3
353.10199	2.0
355.08228	1.6
365.10330	3.4
367.08212	9.1
368.08624	1.4
369.09729	2.5
373.09311	4.6
376.22906	0.7
383.11371	2.9
385.09308	7.9
387.10724	1.1
409.09262	1.0
415.10590	1.5
427.10339	2.0
445.11349	9.6
446.11603	1.0
563.12280	0.6
581.11560	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59599	0.2
59.01389	0.5
60.29269	0.2
61.98834	100.0
63.28611	0.2
63.65163	0.2
69.65606	1.3
78.80299	0.2
109.61869	0.2
141.03032	0.2
195.10335	0.3
197.11876	0.9
198.12257	0.4
277.21771	1.1
278.22198	0.7
285.40897	0.2
378.29111	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.4
61.98833	100.0
62.98561	0.1
70.76486	0.2
70.76833	0.2
84.08054	0.1
87.26699	0.1
123.99786	0.1
199.13426	0.5
222.13660	0.1
223.13487	0.5
224.13831	0.5
225.14027	0.2
226.14215	0.1
249.18571	0.3
250.19038	0.3
251.19444	0.2
253.09325	0.2
277.21747	0.3
288.03101	0.1
312.39200	0.1
321.54254	0.1
496.13693	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54002	0.8
59.01387	18.4
61.98851	4.3
61.99109	0.8
63.27277	1.0
69.03459	2.8
71.01379	3.0
71.05043	0.9
71.41487	0.9
78.95916	1.8
80.96505	1.5
89.02467	2.0
101.02454	2.0
113.02443	1.4
140.16354	1.0
151.63745	0.9
161.04564	1.4
167.10820	3.4
171.10315	3.2
173.06340	0.9
179.10722	1.0
179.14447	2.7
195.13945	7.3
205.12317	9.6
206.12456	1.1
223.13394	100.0
224.13742	7.3
233.38094	0.9
235.08246	2.0
243.13913	0.9
251.20175	72.3
252.20544	5.2
253.09222	8.2
255.23338	2.0
310.24744	1.1
320.82062	0.8
441.21283	3.4
459.22348	19.3
460.22754	1.8
693.42023	2.9
753.41205	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4643
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	1.1
59.01384	20.6
61.98837	100.0
63.93134	1.0
66.61549	1.1
69.03462	1.3
71.01393	16.4
73.02966	2.1
78.95900	2.8
83.01414	2.3
85.02956	2.3
87.00887	3.2
89.02450	14.6
97.02956	2.4
98.19793	2.3
101.02460	9.5
113.02450	5.4
119.03505	4.6
125.02483	1.7
126.62144	1.4
138.95325	1.3
143.03445	2.3
151.34563	1.2
152.90919	1.2
161.04613	2.3
166.62476	1.1
168.83060	1.3
179.05693	4.2
221.06647	1.4
223.13408	3.3
224.13699	2.8
235.08212	1.5
249.18593	2.3
250.19037	3.1
253.09357	1.5
263.07910	1.7
305.08578	1.8
342.10095	1.4
415.14490	5.6
421.14517	1.3
433.63651	1.3
437.12579	1.3
446.04239	1.2
646.48431	1.4
693.44336	28.8
694.44843	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	753.4434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	14.9
61.98834	3.7
69.03454	1.0
71.01382	2.1
73.40732	0.4
78.15831	0.4
89.02475	0.9
98.20689	0.8
101.02456	1.8
113.02467	0.9
117.97998	0.5
127.24570	0.5
153.09233	0.5
153.12814	1.2
161.04576	0.8
169.12325	5.4
171.10320	1.1
179.05545	0.5
197.11852	100.0
198.12175	5.5
209.11888	0.6
223.13429	4.1
235.08255	1.3
251.20177	7.5
252.20518	0.5
253.09270	7.4
255.23174	0.5
277.21735	49.3
278.22125	4.7
303.23346	0.7
415.19614	0.7
433.20883	7.2
434.21140	0.9
752.09778	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	9.9
61.98837	3.9
69.46509	9.5
71.01388	4.6
81.03461	2.0
83.01403	1.4
87.00876	2.0
89.02444	1.9
97.06584	1.6
99.00908	1.4
101.02453	4.1
107.05028	2.5
113.02439	2.4
117.06361	1.1
117.07106	5.7
121.60561	1.4
123.04539	4.6
133.06593	7.4
135.08171	22.9
153.05678	1.2
153.09230	4.2
161.04659	1.7
161.06046	3.0
179.07150	59.9
180.07472	3.4
197.08167	7.3
215.67812	1.2
218.69666	1.2
223.76164	1.0
232.77745	1.2
235.08238	4.9
253.09303	12.4
277.21732	100.0
278.22104	13.5
283.59845	1.1
530.54340	1.4
585.42334	1.5
693.38660	12.3
694.39001	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	753.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	8.9
60.99304	1.8
61.98836	3.4
69.03468	4.8
71.01379	5.3
71.04984	2.1
71.31160	1.8
71.31486	2.4
75.00881	2.4
87.00913	3.8
88.98798	6.8
89.02451	4.3
96.96011	4.8
97.06535	1.6
98.95609	2.5
101.02443	5.1
109.06612	3.0
115.92077	1.5
116.92870	1.9
117.23756	1.4
121.10248	1.9
125.09731	1.8
150.79427	1.3
161.04536	2.1
161.09697	2.9
163.11263	1.9
166.51845	1.4
171.10283	3.3
179.10802	7.1
195.13976	3.2
197.11833	75.2
198.12209	4.2
207.10280	5.8
209.11842	5.3
211.13399	3.7
223.13335	2.4
225.11334	3.7
227.12852	1.7
241.10811	4.0
253.09201	5.1
289.18161	1.6
291.19745	1.6
293.21271	12.4
294.21295	1.9
297.41730	1.4
307.19284	1.9
309.20691	4.6
322.24838	1.4
418.88992	1.4
461.20200	1.8
477.19632	2.3
634.53540	1.7
735.38977	1.8
753.40631	100.0
754.41083	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	5.3
59.01382	43.5
61.98842	14.6
69.83018	15.0
71.01396	28.0
72.99313	3.2
73.02950	3.3
81.03455	4.0
83.01382	3.6
83.05041	7.9
85.02972	7.0
87.00866	7.2
89.02450	13.0
95.01390	3.4
95.05042	4.8
96.96041	5.8
97.02959	11.3
97.06594	6.9
98.20431	8.8
99.00913	4.3
101.02454	16.0
109.06615	34.5
110.07011	3.4
113.02488	15.5
113.09746	3.5
118.56050	3.1
119.05059	3.3
123.04523	4.2
123.08154	5.9
125.02522	4.0
125.06085	4.3
125.09724	13.3
127.07673	3.6
135.08150	3.9
141.09200	6.8
142.02701	4.1
143.07138	8.7
159.04552	4.0
161.04604	5.7
163.11275	21.0
165.12881	6.4
167.14339	3.9
171.10254	4.8
181.12341	14.2
185.11829	13.6
193.16078	3.3
197.11908	4.8
207.10266	86.8
208.10683	5.0
209.11839	50.3
211.13370	6.5
219.13922	3.3
221.15358	3.5
223.13467	4.6
225.11325	47.6
227.12903	7.5
235.08205	9.7
247.20746	6.3
253.09215	17.6
273.18701	4.5
276.91586	3.4
289.18115	12.6
291.19705	41.5
307.19183	33.1
309.20712	74.7
310.21115	6.9
313.18027	7.6
329.21167	9.6
331.19229	7.3
347.22067	5.2
373.23785	9.4
375.21829	4.1
376.18198	4.0
385.23291	3.4
391.24982	4.0
401.23380	5.9
461.20184	12.2
463.28354	4.7
481.29736	22.1
482.30219	4.0
499.30676	26.2
500.30588	5.6
517.31274	3.6
525.27502	3.6
543.27985	6.5
545.29431	6.9
607.30981	6.2
609.32794	5.8
611.30829	11.8
637.32526	9.3
655.33551	7.1
666.32648	11.8
684.33411	6.4
699.38257	4.2
717.38489	37.0
718.38702	10.3
735.39691	100.0
736.39783	28.0
753.40680	61.5
754.40826	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	752.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.7
61.42764	0.3
61.98833	100.0
69.36382	2.6
84.83218	0.3
86.12466	0.3
89.02450	0.3
89.06434	0.3
98.20644	0.6
99.32969	0.4
109.06622	0.5
125.93277	0.3
143.40732	0.3
145.31596	0.3
197.11864	0.4
207.10219	0.5
209.11815	0.5
211.13419	0.3
223.13388	0.7
224.13867	0.6
225.11481	0.4
225.14041	0.4
386.02997	0.3
513.27771	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10315	0.3
59.01377	0.4
65.68657	0.3
70.90309	0.7
71.01388	0.8
72.99323	0.3
75.00877	1.3
83.01393	0.8
91.38723	0.3
93.03461	20.5
94.03802	0.8
107.05045	0.8
109.02916	0.7
117.03468	0.9
117.19644	0.3
118.99861	3.3
119.05030	9.3
120.05358	0.5
121.02953	1.2
121.06583	1.1
125.02444	0.6
130.04218	1.5
131.05038	7.8
132.05365	0.3
133.01418	0.5
133.02942	1.3
133.06593	6.7
134.03764	0.5
134.06915	0.4
135.04529	3.6
145.02966	4.8
145.04079	0.3
147.04527	15.1
148.04861	0.5
149.06087	5.1
150.06445	0.3
158.03728	1.8
159.04530	7.1
160.04836	0.5
161.02449	4.8
161.23508	0.3
162.02783	0.4
163.03992	2.6
174.03223	0.4
175.04008	3.3
177.05573	100.0
178.05910	5.9
179.03491	0.5
192.04240	0.5
193.92604	0.2
207.06647	1.9
211.07808	0.3
221.04570	0.9
227.36241	0.3
237.04112	0.7
245.67929	0.3
265.03546	8.8
266.03790	0.7
279.02872	0.6
317.88989	0.3
345.36465	0.3
455.12213	0.3
487.14554	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61481	0.5
59.01095	1.0
59.01383	15.5
59.26144	0.5
61.98830	1.2
69.03461	5.7
70.08543	2.7
71.01386	4.0
73.02964	0.9
83.05025	0.6
87.00877	0.9
89.02462	1.1
97.06593	0.7
101.02463	2.3
102.09074	0.6
113.02453	1.9
119.03501	0.6
121.06641	0.6
125.06123	1.3
145.05153	0.6
149.09732	0.9
150.12352	0.7
151.11282	3.6
159.08224	0.9
161.04648	0.8
167.10835	1.1
177.07629	1.2
177.09227	24.0
178.09586	1.6
179.46114	0.6
195.10272	46.1
196.10623	3.1
208.12151	0.8
208.93227	0.7
211.13361	0.7
235.08182	5.4
236.08388	0.8
253.09320	10.3
254.09598	0.7
277.21735	100.0
278.22098	10.6
418.80228	0.6
431.19324	0.9
513.30682	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16899	0.3
57.03445	0.6
59.01381	19.7
61.98819	0.7
62.39967	0.5
68.98197	0.4
69.03459	1.7
70.35984	1.5
70.36328	0.5
71.01387	2.5
71.05021	0.7
74.65703	0.4
78.04330	0.4
83.05022	0.4
87.00891	0.7
89.02439	2.0
95.05032	0.5
98.19939	0.7
101.02453	2.3
109.06603	0.6
113.02435	1.1
119.03445	0.6
141.09247	0.5
142.63394	0.4
143.03506	0.5
145.05058	0.5
161.04575	1.4
167.10799	2.9
177.12837	0.6
177.33113	0.4
179.05576	0.8
179.10776	1.5
179.14389	3.6
195.10349	1.9
195.12007	0.7
195.13879	9.1
196.14296	0.9
205.12331	10.0
206.12650	0.9
223.13387	100.0
224.13739	7.2
231.17584	0.5
235.08220	1.5
249.18591	59.2
250.18950	6.0
253.09288	7.9
256.43478	0.4
277.21664	0.8
401.42023	0.5
413.21799	0.5
441.21344	2.3
442.21637	0.6
459.22348	18.1
460.22778	2.8
563.13086	0.5
691.40436	2.3
692.40680	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46947	0.5
57.03444	1.1
59.01382	7.0
60.96438	0.6
61.98823	2.0
69.03451	2.4
71.01391	4.0
71.05016	0.7
71.60632	0.8
72.99316	1.5
73.02941	1.3
74.40309	0.6
83.01396	0.8
83.05027	1.1
85.02965	1.6
85.06592	0.7
87.00887	1.1
89.01974	0.6
89.02452	3.1
89.02932	0.5
101.02459	5.2
109.06573	1.6
111.08173	5.7
113.02457	2.0
119.03521	1.1
145.44357	0.5
152.32072	0.6
153.12881	0.7
161.04550	2.4
161.27811	0.5
165.12828	1.0
167.10831	3.6
169.12376	2.5
169.71877	0.6
179.10765	1.4
179.14444	2.9
181.12389	0.8
195.13914	9.0
196.14261	0.7
197.11827	33.2
198.12198	1.7
198.21893	0.5
199.13396	2.1
205.12355	9.1
207.10292	1.3
209.11844	0.7
211.13423	5.0
221.11807	0.6
223.13394	100.0
224.13728	8.2
227.12779	0.9
235.08278	6.4
239.13130	0.7
253.09283	17.9
254.09679	1.0
263.20010	2.9
265.17953	0.8
291.19669	16.6
292.19907	1.2
309.20734	55.7
310.21048	6.3
335.22626	0.7
433.20996	0.7
459.22382	10.2
460.22778	2.0
523.71210	0.7
527.28430	1.0
545.29645	1.7
751.41687	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	751.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76573	0.7
57.03436	1.2
59.01105	0.6
59.01384	9.0
61.98816	0.9
62.81293	0.5
69.03462	3.0
69.31483	5.5
71.01389	5.6
71.05032	1.3
73.02937	0.8
75.00847	0.7
78.95920	0.7
83.01402	0.9
83.05036	1.4
85.02937	2.5
87.00863	1.8
89.02443	4.8
95.05045	1.1
96.96010	4.7
96.96963	0.7
97.02958	0.8
97.06589	1.5
98.19894	1.1
101.02447	5.6
107.08730	0.6
109.06584	1.0
111.00867	0.7
111.08155	1.4
113.02437	2.5
113.09711	2.3
115.07674	0.7
119.03516	1.3
123.08211	0.6
131.16399	0.6
138.38412	0.6
141.09235	1.0
143.03502	0.9
145.05075	0.7
149.09763	0.7
151.11310	1.4
161.04552	2.2
165.12877	3.2
167.10768	4.8
167.14417	1.3
169.12317	0.8
171.10146	0.7
177.12875	1.1
179.05609	1.3
179.10725	1.8
179.14386	4.1
181.12317	3.3
183.13937	0.9
193.12317	1.9
193.16043	0.9
195.13911	13.0
196.14236	1.3
197.11827	4.3
205.12323	10.1
206.12625	0.6
206.18762	0.7
211.13464	3.3
213.14972	0.7
221.11818	5.0
221.15453	2.3
222.12105	0.7
223.13393	97.9
224.13736	8.2
229.14514	1.3
235.08195	5.3
239.12856	2.4
240.13701	0.8
241.14313	1.2
247.20738	3.4
253.09302	12.0
254.09592	0.8
255.16031	3.4
273.18594	3.3
277.18115	1.2
281.21222	1.7
291.19666	39.8
292.19922	4.5
293.21234	2.9
294.21555	0.7
309.20734	100.0
310.21112	12.1
311.22232	1.3
335.22009	0.8
441.20999	0.8
459.22342	6.9
460.22702	1.5
497.32507	1.1
515.33960	1.0
527.28503	4.4
545.29602	16.7
546.30096	3.3
609.32843	1.5
715.41553	0.8
733.41565	2.0
751.42877	5.9
752.42847	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	751.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.0
58.00589	0.4
59.01382	6.7
61.98822	1.8
65.24112	0.4
69.03458	3.2
71.01382	5.2
71.05039	0.7
72.99313	0.5
73.02961	1.0
75.00877	0.5
83.01385	0.5
83.05035	1.0
85.02948	1.1
85.06572	0.5
87.00882	1.1
89.02441	4.2
93.03451	0.7
95.01357	0.6
95.05009	0.7
97.02956	0.9
98.19894	1.3
101.02451	4.4
109.06583	1.0
111.07449	0.7
111.08165	8.8
113.02442	3.0
119.03487	0.8
125.09737	0.7
145.05064	0.5
149.09665	0.7
151.11317	0.6
153.09224	0.6
153.12912	0.6
161.04558	2.0
167.10762	4.1
169.12341	4.1
171.10361	0.6
177.12822	0.8
179.05653	1.0
179.10765	1.5
179.14412	3.4
181.12321	0.7
183.13972	0.4
195.13901	9.9
196.14296	1.0
197.11833	50.3
198.12155	3.3
199.13368	2.9
205.12337	9.3
211.13416	6.4
223.13391	100.0
224.13733	7.6
225.14941	0.8
227.12852	1.5
235.08163	4.4
239.12758	0.4
247.20676	0.8
249.14977	3.8
250.61313	0.5
253.09293	19.3
254.09683	1.3
263.20221	2.5
264.20490	0.4
265.18057	1.5
273.18600	0.8
283.13193	0.5
291.19678	19.2
291.22980	1.0
292.20068	2.3
309.20712	58.8
310.21085	6.0
311.15826	0.5
387.68970	0.5
433.20917	1.2
441.21146	0.9
458.64420	0.5
459.22345	8.1
460.22867	1.2
467.74890	0.5
485.24066	0.5
515.33862	1.5
527.28607	0.9
545.29572	1.6
751.43408	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.2
61.98833	0.8
71.01376	1.1
72.99310	3.2
75.00878	100.0
76.01210	1.1
76.03322	0.2
85.02930	0.2
87.00869	0.3
89.02454	0.7
97.02973	0.3
101.02444	1.1
111.01385	0.2
113.02457	0.6
119.03545	0.3
125.02496	0.5
143.03516	0.2
143.29935	0.2
204.33316	0.2
218.32054	0.2
229.60468	0.2
235.08246	0.5
237.00316	0.2
245.35231	0.2
277.21722	2.9
278.22058	0.4
305.08847	0.3
309.20743	0.3
397.13501	6.7
398.13904	0.8
415.14627	1.9
416.15015	0.2
715.05426	0.2
747.02435	0.2
751.39923	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19859	3.0
55.01842	2.8
58.76224	3.5
59.01383	100.0
60.01698	3.3
61.98837	47.3
63.25955	2.8
69.03464	4.0
71.01386	38.0
71.11000	6.3
72.99300	5.5
73.02943	21.2
75.00890	22.5
75.33825	2.9
77.35133	2.9
83.01408	4.7
85.02969	12.1
86.76994	3.8
87.00883	8.5
89.02450	15.6
93.03463	7.2
96.74991	2.7
96.95989	6.8
97.06576	3.0
99.00872	7.8
101.02452	28.7
103.04011	7.6
109.02937	6.2
113.02437	12.0
115.92114	2.9
116.92899	4.1
119.03481	5.3
119.05016	22.4
120.86461	2.8
121.02999	3.6
131.03508	5.9
135.04510	4.8
143.03506	12.7
145.02968	8.9
145.05035	3.4
147.04506	4.2
148.05322	8.3
153.97638	3.3
155.10785	3.0
159.04466	4.4
159.08180	17.5
161.02437	6.6
161.04533	3.6
163.04047	19.8
163.06131	23.3
169.12346	3.9
177.05589	8.8
197.11937	6.6
205.07323	14.9
209.11806	10.1
239.12700	4.7
247.08150	8.5
357.26529	10.4
365.23563	17.0
383.24417	72.1
384.24673	12.2
397.25836	7.8
425.25290	18.7
443.30042	12.7
545.25592	4.2
553.30365	3.7
587.29462	3.4
588.14154	3.2
605.29633	38.0
606.30432	5.7
631.24390	4.1
663.30402	26.9
664.31238	4.3
691.40771	24.1
707.36407	4.4
719.35272	5.3
751.38269	5.8
774.10553	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	751.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.3
61.98831	12.9
69.30323	5.0
69.30737	1.4
71.01379	1.7
71.94392	0.6
72.99334	1.0
73.81636	0.7
75.00880	1.5
83.01380	1.0
93.03465	22.0
94.03796	0.7
96.96015	1.4
98.19900	1.3
107.05029	1.3
117.03481	1.2
118.99866	4.4
119.05028	8.4
121.02937	0.8
121.06561	0.7
130.04250	1.2
131.05043	7.2
133.06615	7.9
135.04506	1.6
145.02951	5.2
147.04517	14.1
148.04823	1.1
149.06090	4.8
158.03735	1.1
159.04543	5.0
163.03996	1.8
175.04025	3.0
177.05580	100.0
178.05934	5.8
223.13268	0.8
265.03546	7.0
524.90002	0.8
525.06433	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73768	0.3
59.01395	2.0
61.98833	3.0
71.01392	1.2
72.99313	4.1
73.02959	0.4
74.58189	0.3
75.00877	100.0
76.01220	1.1
79.33157	0.3
84.95124	0.4
88.15497	0.3
89.02441	1.7
96.96034	0.4
101.02455	0.9
113.02454	0.5
119.03501	0.4
125.02531	0.3
161.04639	0.4
197.11880	1.2
207.10382	0.4
223.13405	1.4
225.11450	0.5
235.08247	1.0
253.09346	0.5
277.21710	4.0
278.22137	0.5
290.18527	0.3
291.19684	0.7
307.18985	0.4
309.20694	0.9
397.13510	6.5
398.13821	0.8
415.14481	2.3
416.15033	0.3
751.39325	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01495	0.9
59.01094	1.0
59.01381	13.5
61.98825	4.2
67.53498	0.8
69.03463	8.3
70.63259	1.7
71.01393	4.2
78.95924	0.8
83.05059	0.9
85.02953	1.9
87.00854	1.1
89.02461	2.8
93.03447	1.1
95.05048	3.2
101.02441	3.8
107.08710	0.9
109.06580	1.4
113.02448	2.1
119.03386	0.8
125.02453	1.2
131.08614	0.7
145.06555	1.1
147.11787	1.5
149.09616	1.1
161.04564	1.8
167.10762	2.6
179.10735	1.3
179.14417	4.3
185.13330	1.5
195.13887	9.8
203.10847	1.0
203.14392	5.3
205.12323	8.2
209.11905	0.9
213.60501	0.8
219.13966	1.1
223.13394	100.0
224.13742	8.2
229.12318	8.1
230.12686	1.4
235.08228	3.8
247.13387	36.2
248.13727	3.4
253.09273	9.1
435.25446	1.0
441.21048	1.3
459.22385	18.3
460.22354	2.4
465.21417	1.1
483.22400	2.2
500.51141	0.8
548.80219	0.8
682.38849	1.2
689.35419	2.0
766.17767	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07818	3.0
59.01385	29.1
61.98844	3.6
71.01384	21.1
78.75673	3.2
89.02454	25.4
95.01408	2.5
101.02454	18.1
113.02480	8.4
119.03506	11.7
122.33013	2.8
179.05623	7.9
184.42751	2.8
225.22269	6.7
301.50360	3.7
316.25452	2.6
526.18616	3.2
532.47412	19.7
533.47369	3.9
550.48163	7.5
687.78790	3.3
712.53687	100.0
713.54022	25.0
748.51416	23.9
749.51373	7.0
777.72882	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	749.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
63.77107	0.3
64.47675	0.3
69.53065	0.5
69.53474	1.7
72.99310	0.5
75.00880	1.7
82.66434	0.3
83.01401	1.0
93.03465	22.1
94.03807	1.0
106.04211	0.6
107.05022	1.2
117.03477	1.2
118.99878	4.1
119.05039	9.7
119.05904	0.5
120.05323	0.5
121.02950	0.9
121.06623	1.1
130.04253	1.3
130.83443	0.3
131.05037	8.0
132.05324	0.4
133.06599	7.6
134.06906	0.6
135.04524	1.0
139.00383	0.5
145.02966	9.0
146.03340	0.6
147.04535	16.5
148.04858	0.9
149.06123	5.0
150.06430	0.4
151.86201	0.3
157.01472	0.5
158.03729	2.0
159.04530	6.2
160.04807	0.4
163.03984	1.6
175.04027	2.7
177.05582	100.0
178.05931	5.9
182.52106	0.3
215.07109	0.5
221.04546	3.6
222.32794	0.4
259.06082	0.5
265.03552	10.9
266.03775	0.6
303.05084	0.6
311.27441	0.3
320.96649	0.3
352.47931	0.3
355.36465	0.3
421.11444	0.4
465.10294	4.5
466.10941	0.6
504.11829	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	745.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47262	1.0
59.01383	14.6
61.98826	2.5
69.03455	1.6
71.01365	2.8
71.60931	1.0
71.61330	1.1
75.00888	1.3
78.95920	1.4
83.05022	1.1
83.79739	1.0
89.02445	1.5
95.91792	0.9
96.10555	1.0
97.06585	1.0
101.02473	2.4
113.02447	1.4
167.10878	1.0
179.14339	2.1
183.13896	5.7
193.12303	1.3
195.13910	6.0
205.12320	7.0
211.13405	100.0
212.13788	7.2
217.26779	1.1
223.13405	70.6
224.13702	5.4
235.08235	3.0
253.09294	6.8
254.65025	1.0
255.23128	1.1
275.24133	1.0
316.52618	0.9
392.03946	1.2
399.25552	1.8
417.26553	2.0
441.21500	2.4
447.22247	8.9
459.22513	9.5
635.34619	4.4
653.34808	5.3
745.50464	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70358	0.9
59.01382	14.3
61.97475	0.9
61.98835	1.2
64.60641	1.0
66.82030	0.8
71.01379	5.1
71.61613	1.0
73.02921	1.1
80.02703	0.8
81.03462	2.8
83.01408	1.4
83.05080	3.3
85.02960	1.5
89.02472	4.2
97.02957	8.1
99.00888	2.5
100.37064	0.9
101.02460	5.2
106.04312	1.0
107.67106	0.9
109.06594	37.1
110.03751	1.5
110.06941	2.0
113.02460	2.9
119.03517	0.9
121.06622	1.9
123.04546	1.3
135.08179	3.8
136.05272	1.3
136.08366	0.8
142.02727	2.0
145.04955	0.9
161.04494	1.5
161.09709	2.2
163.10010	1.5
163.11298	20.7
164.11646	1.5
179.05786	1.2
181.12360	4.4
189.09183	3.0
207.10269	100.0
208.10591	6.7
209.11896	1.5
225.11320	38.6
226.11662	3.2
235.08206	1.6
253.09312	14.9
255.23108	1.1
259.24188	2.1
276.46194	0.9
281.13788	1.1
303.23303	60.8
304.23624	8.0
307.88452	1.0
443.19226	5.7
444.11899	1.1
461.20367	17.3
462.20645	1.5
467.35242	1.3
493.33157	1.8
511.34293	1.9
729.42572	1.7
734.79968	1.0
747.43353	26.0
748.43536	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	745.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.9
57.03454	3.6
58.00592	3.4
59.01385	100.0
60.65874	1.0
61.98838	46.6
69.03464	3.0
71.01390	76.8
71.61163	1.3
72.99321	6.5
73.02951	9.8
75.00874	2.7
81.03452	1.5
83.01405	11.1
85.02958	25.3
87.00883	11.7
88.98821	3.7
89.02454	46.6
91.04024	2.5
95.01395	8.1
95.40686	1.2
96.96035	2.1
97.02951	3.4
98.95612	2.4
99.00885	3.2
99.92596	2.0
101.02451	56.0
102.02818	2.2
113.02459	47.8
113.03246	2.3
114.02792	1.7
115.92097	5.7
116.92867	12.4
119.03519	14.5
124.01633	2.3
125.02448	7.1
131.03500	2.9
143.03514	9.6
161.04584	20.2
179.05650	9.4
223.13412	1.6
231.10458	1.3
235.08183	5.2
253.09288	59.5
254.09622	3.5
278.26553	1.3
281.24686	1.3
285.54114	1.4
295.10547	1.2
301.49152	1.1
523.32794	2.7
541.33972	9.5
542.34064	1.3
649.35468	1.4
685.38068	61.1
686.38361	12.4
699.54114	1.3
703.39136	88.6
704.39465	17.8
745.27454	1.5
745.40039	4.2
746.40607	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	745.126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79820	0.2
69.42323	1.9
70.18858	0.2
71.01401	0.5
72.99310	0.8
75.00879	2.2
75.04736	0.3
80.75916	0.2
81.78985	0.3
85.02988	0.3
86.86705	0.3
92.20430	0.2
93.03485	0.6
108.02187	1.7
109.02961	100.0
110.03299	3.3
112.18389	0.3
118.99879	3.7
119.05040	0.7
121.02966	0.8
133.02965	1.3
135.04536	1.4
145.02963	0.6
147.02989	0.5
147.04515	1.3
148.05295	0.4
149.06087	3.3
150.06441	0.3
151.00394	1.2
157.40785	0.3
159.04520	0.5
159.95668	0.3
160.01775	0.3
161.01093	0.4
161.02449	8.5
161.03726	0.5
163.04039	0.4
163.12314	0.3
170.90752	0.3
175.04042	0.5
177.05586	0.8
178.99878	0.7
179.03470	0.9
191.03525	3.9
192.04144	0.6
193.05069	8.9
193.06773	0.6
194.05383	0.6
219.02620	0.2
237.04047	3.1
238.04308	0.4
243.03055	0.9
245.04268	0.3
248.82173	0.3
250.13510	0.3
253.05008	0.5
255.03090	1.4
271.02457	3.1
272.02899	0.6
281.03036	4.4
290.69748	0.3
293.10260	0.7
300.02740	8.0
301.03494	3.9
434.90308	0.3
463.08838	11.4
464.09164	1.8
701.25745	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79870	0.8
51.80135	0.8
57.03438	1.1
58.17841	0.7
59.01385	71.4
61.98836	44.4
69.54326	3.2
69.54758	2.8
71.01392	13.2
72.19987	0.8
73.02948	5.8
75.00866	1.2
78.95909	0.8
83.01376	1.3
85.02972	4.7
87.00892	4.8
87.35354	0.7
88.00408	1.8
89.02438	5.1
91.78330	0.7
95.01435	1.0
96.96018	2.3
101.02451	8.2
113.02465	3.0
115.03929	0.8
116.92873	1.6
119.03490	1.4
123.08189	1.0
138.12708	1.0
146.19768	0.7
165.05560	5.0
171.10229	0.8
192.47144	0.7
207.10291	1.7
289.69019	0.7
386.70575	0.9
451.30417	1.2
477.28574	1.0
480.98502	0.9
495.29660	2.5
503.29843	1.0
521.30847	1.2
639.40973	1.0
657.42212	1.8
699.43347	100.0
700.43744	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75912	0.9
55.55090	0.9
57.03435	1.2
57.23323	0.8
59.01383	75.5
60.01712	1.2
60.48841	0.9
61.98833	40.8
71.01389	10.8
71.59435	0.8
71.61889	1.7
72.99305	1.7
73.02956	5.6
75.00900	2.0
78.95931	1.1
85.02950	4.3
87.00869	4.5
88.00389	1.9
88.98845	1.0
89.02435	5.5
94.98930	1.0
96.95997	1.4
97.02939	0.8
99.00864	1.1
101.02454	7.1
109.06599	1.3
113.02482	4.9
116.92875	1.5
119.03497	1.7
125.02402	1.2
125.09738	1.8
134.51941	0.9
161.04555	1.0
161.97932	0.9
165.05544	2.2
171.10283	3.6
193.91290	1.0
201.11403	1.6
207.10344	1.4
209.11826	1.0
225.11288	1.0
307.19235	1.3
325.23834	5.9
326.23923	1.2
395.28101	1.7
399.16260	1.1
433.29697	1.9
451.30673	32.5
452.31131	4.8
453.28580	1.3
455.11987	1.1
465.32166	1.1
477.28604	6.6
479.30145	1.2
493.31915	2.0
495.28970	5.1
521.31396	2.7
657.41785	1.5
699.43396	100.0
700.43689	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	743.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.9
59.01380	11.2
59.33026	1.5
61.98838	9.3
71.01378	7.1
71.17307	3.5
73.02950	2.8
75.00856	4.7
85.02962	2.6
87.00878	3.3
87.04559	1.8
88.98797	2.3
89.02454	1.9
96.96016	14.3
99.04561	1.9
101.02429	4.1
109.02946	4.1
113.02435	3.4
113.49679	1.6
120.74913	1.5
123.04494	2.0
123.08116	1.6
125.09676	3.8
135.04503	3.9
135.53279	1.6
136.05313	17.3
139.93599	1.6
145.02916	3.1
149.06081	11.9
150.06866	31.9
162.06807	1.6
163.07664	14.0
164.08356	3.3
165.09175	11.9
177.09251	2.2
179.10759	7.0
201.11308	18.7
227.12819	1.8
285.04205	2.0
293.17505	7.3
299.22241	6.2
313.23575	1.9
315.21817	3.2
343.49039	1.8
353.02289	1.9
418.30798	3.4
432.32455	7.7
433.33191	5.3
434.29361	1.8
436.26526	1.8
448.31732	2.4
464.31235	1.9
465.32239	3.7
476.31512	5.3
477.28119	3.3
477.32590	3.4
494.32483	4.8
495.29770	6.7
495.32651	6.6
639.37415	8.3
657.38892	3.7
681.38251	2.1
699.39740	100.0
700.40222	21.0
733.00659	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	743.371
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59683	0.3
59.01376	0.7
60.99310	16.5
61.98818	0.6
68.84247	0.2
69.29688	1.7
69.30095	0.6
71.01354	0.4
74.16615	0.3
79.24274	0.2
83.40279	0.3
87.00880	1.6
88.00400	3.7
88.98811	100.0
89.02448	15.7
89.99148	1.2
114.94899	0.3
148.90997	0.6
179.45656	0.3
206.95839	0.3
209.19577	0.3
255.23349	0.8
279.06281	0.3
381.15106	0.2
397.13437	1.8
429.08826	0.3
485.64868	0.3
487.03674	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46329	1.7
59.01383	100.0
60.99302	2.1
61.98824	6.3
67.69996	1.5
67.71833	1.6
69.49843	2.8
69.50249	8.1
71.01387	9.6
72.99329	1.9
73.02955	3.7
75.00870	2.1
78.95906	3.0
80.88874	1.3
83.01365	2.9
85.02947	5.2
87.00882	37.7
88.98801	19.4
89.02429	1.9
92.48277	1.5
101.02439	8.6
113.02438	2.4
115.08733	1.3
119.68621	1.4
125.02426	4.7
128.15474	1.6
152.99585	1.5
244.30791	1.8
250.16177	1.8
255.23312	2.0
279.23438	2.5
507.27390	3.3
569.40778	12.7
570.40765	2.9
611.37866	9.7
612.38477	3.7
655.40778	24.6
656.40906	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	742.3878
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71079	0.2
54.08533	0.2
58.65934	0.2
59.01360	0.3
60.99314	3.5
61.98834	100.0
62.98542	0.2
71.01395	0.3
71.61154	0.2
79.73322	0.2
87.00871	1.1
88.00408	2.6
88.98812	20.9
89.02452	1.5
98.84689	0.2
116.92862	0.2
147.11102	0.2
160.37535	0.2
255.23296	0.3
278.22226	0.3
282.25247	0.3
397.13757	0.4
398.13840	0.2
428.17969	0.2
567.52496	0.2
638.91687	0.2
661.37799	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.3872
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15704	0.3
56.95848	0.3
58.19108	0.2
59.01381	0.4
59.94206	0.3
61.98835	100.0
71.61684	0.3
72.78152	0.2
72.95132	0.2
78.91941	0.2
78.95927	0.3
93.44305	0.3
96.77682	0.2
126.92638	0.3
171.16606	0.3
201.11310	0.5
209.11806	0.6
277.21875	1.1
278.22171	0.5
311.61633	0.3
399.13956	0.3
620.15521	0.3
730.15942	0.3
742.44226	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.37
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92953	0.3
57.96613	0.2
59.01369	0.4
60.99311	17.5
61.98834	14.0
68.65657	0.2
69.70294	1.3
71.01398	0.3
73.47697	0.2
87.00882	1.0
88.00404	3.0
88.98811	100.0
89.02446	12.8
89.99168	1.3
116.74326	0.2
148.90973	0.4
152.31653	0.3
152.99565	0.2
155.39012	0.3
175.48701	0.3
240.89038	0.2
255.23270	0.7
349.24902	0.3
397.13553	1.1
415.14783	0.4
555.69122	0.3
743.27081	1.0
743.40015	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.1
61.98835	100.0
63.26501	0.3
71.01392	0.9
73.02953	0.5
75.00896	0.3
78.95912	0.4
89.02465	0.4
96.96025	1.5
99.38740	0.3
101.02468	0.8
101.57030	0.3
102.74905	0.3
113.02502	0.3
116.92894	0.6
135.09140	0.3
161.56189	0.4
165.05586	0.4
171.10287	0.4
383.49057	0.4
389.76126	0.3
451.30743	1.0
476.34946	0.6
521.31000	0.4
621.39777	0.4
672.70398	0.3
698.40863	0.3
699.43042	1.6
704.40234	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.0
61.98837	100.0
62.98540	0.3
65.35458	0.2
71.01396	0.6
73.02964	0.3
75.00858	0.2
78.95914	0.3
87.00904	0.7
89.02483	0.4
96.96033	1.1
101.02491	0.3
113.02486	0.6
151.07680	0.3
158.44717	0.2
161.02554	0.2
251.10950	0.2
289.18179	0.3
307.19220	0.4
448.66064	0.3
521.31775	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.7
61.98833	100.0
69.66295	0.3
71.01390	0.4
71.61926	0.4
71.67095	0.3
72.31024	0.3
88.98825	0.6
96.96032	0.7
125.76958	0.3
133.75023	0.3
143.47197	0.3
165.05577	0.6
195.10292	0.8
198.78413	0.3
204.37689	0.3
224.31270	0.4
249.94473	0.3
278.77930	0.3
291.19763	0.6
327.21906	1.0
328.22052	0.4
341.77603	0.3
451.30792	0.5
699.42963	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	0.6
59.54658	0.3
60.35130	0.3
61.98833	100.0
62.74490	0.3
62.98541	1.9
62.99260	0.6
63.99260	10.8
67.00280	0.3
69.97028	0.7
69.97424	0.7
75.00877	5.2
83.93513	0.3
88.98817	1.7
93.83167	0.3
95.77100	0.3
98.20065	0.8
98.20595	0.4
121.03018	0.8
158.52835	0.3
160.41142	0.3
165.01970	0.5
195.17542	1.8
227.86745	0.4
239.16652	1.0
247.20651	3.7
249.18796	0.4
265.21875	0.6
267.19910	0.6
273.18536	0.5
291.19632	4.9
292.20074	0.7
309.20724	5.3
310.21118	0.7
311.18805	1.3
383.24393	4.4
384.24741	0.5
386.51291	0.4
390.30435	0.3
443.39066	1.3
469.37234	0.5
487.38171	2.5
488.38589	0.5
505.38931	4.2
506.39154	0.7
579.43060	0.4
605.40845	0.6
623.42041	1.6
697.45325	26.4
698.45752	6.0
741.44415	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24500	1.6
57.03459	4.3
59.01384	24.2
61.98809	3.1
67.01918	1.9
69.03448	2.8
71.01380	7.9
72.99290	3.2
73.02973	2.8
78.95890	2.6
81.03449	3.8
81.04971	1.6
83.05029	9.1
85.02959	14.9
87.00879	4.7
88.98818	4.2
89.02457	2.6
97.02978	2.2
98.20694	2.6
101.02436	5.9
109.06582	3.0
113.02483	2.7
115.00381	5.7
120.67841	1.6
125.02422	2.6
125.09761	2.8
149.09689	2.0
151.11290	1.9
161.04549	1.7
167.10721	6.0
169.12337	3.2
171.10220	15.2
175.02373	10.2
177.12766	6.3
177.40306	1.8
179.10693	3.7
179.14435	5.3
195.13910	15.6
197.11818	2.3
205.12349	10.9
221.09778	3.5
221.11847	57.0
222.12143	5.5
223.13402	100.0
224.13687	6.3
232.19531	1.7
232.21915	2.0
235.08127	4.2
239.12900	42.3
240.13228	3.8
245.27451	1.7
253.09343	13.5
273.14929	4.1
277.21802	2.5
309.20715	3.5
391.86694	2.5
409.23898	2.8
427.24780	6.4
445.25818	6.5
459.22345	9.4
475.21744	10.3
505.25653	3.8
537.53473	2.1
566.86816	1.8
638.37848	2.1
645.32886	3.5
663.34021	11.2
664.34937	2.5
681.35095	10.5
682.35413	3.6
741.40393	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	741.371
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	5.0
61.98833	2.5
77.70159	0.4
102.46860	0.4
112.47556	0.3
136.05316	1.9
137.06088	17.3
138.06439	0.5
152.04803	3.4
163.07692	2.8
165.05574	100.0
166.05905	5.1
171.10265	0.6
187.27202	0.4
188.08427	0.5
197.11829	1.0
211.13457	0.4
223.13390	1.1
229.12149	0.4
286.87405	0.4
327.25449	0.5
329.23184	0.4
396.43689	0.4
437.18430	0.4
453.20737	0.5
473.29456	0.5
475.30539	3.2
493.31720	27.0
494.32126	5.1
529.61279	0.5
697.37994	32.3
698.38464	7.3
741.32867	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.3
61.98835	3.7
70.25513	2.0
71.01378	0.8
78.95905	0.5
79.09385	0.5
85.02959	0.7
89.02438	0.5
96.96047	1.2
98.19930	0.5
101.02468	0.7
113.85988	0.4
125.09782	0.9
136.05357	1.1
137.06091	16.2
138.06454	0.5
148.01877	0.5
151.04073	0.5
152.04810	4.2
163.07655	2.0
165.05577	100.0
166.05925	4.4
171.10277	0.8
197.11900	1.5
201.11356	0.5
252.37961	0.5
256.17322	0.7
275.68488	0.5
329.23453	0.6
444.27811	0.7
445.27713	1.1
475.30545	2.3
476.31168	0.7
493.31717	19.3
494.31845	2.7
550.02301	0.6
637.35901	0.5
681.36688	2.9
697.38031	37.5
698.38257	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	741.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53482	2.2
54.08315	2.0
59.01395	14.9
61.98842	27.2
62.74775	2.1
71.01388	7.4
71.61786	3.1
73.02959	3.8
73.77232	2.0
75.00883	4.9
85.02962	4.5
87.00858	3.2
89.02481	2.5
96.96009	13.0
101.02468	3.4
136.05292	27.1
145.03008	3.1
149.06071	11.3
150.06853	6.8
152.46605	2.2
163.06201	2.9
163.07631	5.7
165.09238	16.0
177.05605	4.8
209.11827	10.8
210.12254	2.4
227.12744	4.0
327.21817	4.3
429.29678	2.6
433.28009	5.3
446.30252	5.2
447.31152	9.0
492.31064	4.0
493.32016	16.2
523.76526	2.8
655.37128	3.5
697.37982	100.0
698.38330	23.6
741.35217	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	741.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76456	1.1
58.07640	1.2
59.01387	12.3
61.98828	12.0
62.59079	1.2
71.01389	4.6
71.41788	1.2
72.99300	2.5
73.02962	2.2
74.90593	1.0
75.00856	1.7
85.02957	2.9
87.00881	1.7
89.02460	2.1
96.96037	4.3
99.04540	1.8
101.02442	3.9
109.02919	1.4
113.02470	3.5
119.03464	1.6
123.04546	1.8
135.08159	1.6
135.91545	1.4
136.05299	9.8
138.10011	1.1
149.06081	6.9
150.06866	42.7
151.07266	2.4
162.06848	2.2
163.06189	4.4
163.07632	30.8
164.08368	4.3
165.09206	11.8
171.10307	1.7
171.59763	1.2
175.03955	1.7
175.07333	1.2
176.08418	2.2
177.09225	1.2
178.09962	2.4
179.10764	10.0
188.57132	1.2
191.73871	1.3
216.25841	1.1
231.30554	1.2
297.20505	1.4
303.10278	1.6
303.29221	1.4
311.22043	1.9
313.20255	2.2
327.21765	6.1
362.24399	2.0
376.25931	6.1
377.26758	3.8
414.27863	1.3
415.26959	1.6
416.29266	4.4
429.29956	1.9
430.30923	12.6
431.31445	9.4
433.28189	4.9
434.28488	1.5
446.30508	3.3
447.31552	1.5
474.30005	5.1
475.30688	6.1
492.30722	5.6
493.31848	14.7
494.32117	1.9
523.53107	1.6
637.36084	12.7
638.35846	3.3
655.36963	9.0
656.37054	1.9
697.38031	100.0
698.38379	29.1
741.40302	1.5
771.88745	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.8
60.99289	1.2
61.98834	12.8
63.99273	0.8
71.01382	0.5
72.99308	3.1
75.00877	100.0
76.01205	0.9
87.00918	0.5
87.38110	0.4
88.00433	0.4
88.98807	6.6
89.02454	0.9
90.65376	0.4
97.58920	0.4
113.98567	0.4
121.02966	5.4
165.01962	4.7
166.02286	0.4
209.11842	1.1
223.13490	0.8
247.20663	1.1
291.19739	1.3
293.21271	0.8
294.21628	0.7
295.21881	0.5
309.20776	1.1
357.06143	0.8
383.24680	0.4
435.49722	0.4
505.39517	0.8
547.17383	0.4
560.96283	0.4
623.41852	0.5
667.77881	0.4
692.89563	0.5
697.45300	3.8
698.45410	1.1
741.15790	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98107	0.9
57.03452	1.2
59.01381	11.5
61.98835	11.0
64.80197	0.8
69.37367	8.5
69.93919	1.0
70.86813	0.9
71.01384	6.3
72.99319	1.6
73.02949	1.5
75.00883	1.5
82.32045	1.0
85.02962	2.0
87.00871	2.1
88.29214	1.1
89.02470	2.3
96.96016	4.5
97.02980	2.6
101.02453	3.4
109.02975	1.5
113.02440	1.8
119.03567	1.3
123.08153	1.0
124.40041	1.0
135.04517	1.3
135.08171	2.2
136.02794	1.1
136.05299	7.6
137.06068	1.2
143.03432	1.3
145.02953	1.1
149.06076	8.4
150.06871	46.9
151.07285	3.2
161.02432	1.1
161.04568	1.0
162.06882	3.6
163.06186	3.5
163.07651	34.0
164.04826	1.0
164.08405	6.5
165.09230	5.0
176.08450	1.3
177.09233	2.7
178.09978	3.8
179.10812	10.4
185.62352	1.0
201.11316	2.3
247.08237	2.0
271.22733	1.5
297.20605	1.3
311.22528	1.1
313.20200	2.3
327.21930	1.2
362.24677	3.5
376.25980	5.9
377.26932	5.4
403.94513	1.2
415.27216	2.8
416.29324	6.7
429.30399	1.7
430.30841	16.2
431.31696	11.0
433.28018	6.8
446.30356	3.7
447.31274	1.7
457.29440	1.1
462.29813	1.1
474.29907	3.8
475.30835	6.9
492.31021	5.4
493.31787	10.3
494.12134	1.3
494.32227	2.2
531.64929	1.1
535.32739	2.3
536.32910	1.0
543.12256	1.4
584.75128	1.1
637.35919	17.1
638.36664	2.5
655.36938	11.7
656.37500	3.3
697.38031	100.0
698.38342	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.4
61.98834	100.0
69.37843	0.4
69.38265	0.9
71.01414	0.2
88.56860	0.1
88.98801	0.1
89.02483	0.1
98.20655	0.3
100.57316	0.1
101.02475	0.2
142.47342	0.1
144.62343	0.1
197.11852	0.2
211.13487	0.7
212.13818	0.2
270.15186	0.1
279.23422	0.2
280.23770	0.4
310.20892	0.1
323.59930	0.1
344.02881	0.1
397.14020	0.2
398.13766	0.2
399.14008	0.2
459.24155	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	740.4933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.5
60.49590	0.1
61.22810	0.1
61.28947	0.1
61.98833	100.0
62.98526	0.2
69.98416	0.5
83.05051	0.3
91.50638	0.1
91.54623	0.1
109.02973	0.3
119.05030	0.2
120.05396	0.1
154.10376	0.1
161.34398	0.1
183.74739	0.1
216.00143	0.1
300.02881	0.1
543.68176	0.1
545.40344	0.1
678.50348	0.2
679.50519	0.4
680.50507	2.2
681.51068	0.2
740.49121	1.4
741.50647	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.6
61.85709	0.5
61.98833	9.0
63.99228	0.7
67.87998	0.4
71.61660	0.7
72.99299	1.0
75.00877	12.1
77.03973	2.9
92.17799	0.5
101.47832	0.6
121.02962	100.0
122.03288	4.2
125.02488	0.6
147.78221	0.5
152.99608	0.5
165.01936	70.0
166.02278	3.2
172.73669	0.5
176.13330	0.5
181.06609	1.9
186.42531	0.6
186.62186	0.5
191.03510	1.8
209.11844	3.8
210.12219	1.8
211.13596	0.5
224.18851	0.5
225.05580	1.2
227.13031	0.6
228.13089	0.5
246.39757	0.5
247.20486	0.5
253.09242	1.0
277.21881	0.6
291.19794	0.9
293.21222	1.1
294.21548	1.4
305.01071	0.5
309.20728	0.8
313.07181	2.4
357.06161	10.5
358.06552	1.2
505.26239	0.7
549.10406	0.8
697.45319	3.1
741.14575	5.4
742.14996	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	740.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03474	0.7
59.01382	3.1
59.01649	0.7
61.98835	6.4
69.46632	4.7
71.01396	1.5
73.02932	0.9
74.85177	0.6
75.00890	0.6
78.95910	100.0
85.02971	0.8
87.33421	0.7
96.96033	3.7
96.96973	9.1
122.98551	1.1
135.04462	0.7
148.32350	0.6
152.99600	18.9
167.14371	1.5
168.13942	0.8
171.00647	20.7
171.10210	0.7
189.19243	0.8
194.05875	1.5
201.11397	0.8
210.15031	0.6
211.13422	1.6
229.14592	0.9
241.17999	1.5
264.35538	0.6
268.09631	2.9
312.12286	0.7
366.16876	0.9
369.19302	1.0
370.19287	1.9
383.59647	0.7
578.30939	28.1
579.31213	6.2
588.29077	0.8
614.78204	0.7
620.33118	0.7
696.36700	0.9
697.40692	1.3
740.36328	28.2
741.36768	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	740.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.2
61.98835	100.0
62.98541	0.2
66.17487	0.1
71.01402	0.2
81.41570	0.1
89.02483	0.1
95.12653	0.1
112.44334	0.1
114.80820	0.1
159.55551	0.1
167.25885	0.1
197.11942	0.1
211.13434	0.4
212.13808	0.1
258.38449	0.1
261.58139	0.1
279.23285	0.1
280.23801	0.1
399.13998	0.2
699.32074	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.429
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93923	1.1
59.01387	8.9
61.98836	2.2
71.01382	9.2
71.61775	2.0
73.02954	1.8
75.00887	1.6
85.02914	1.7
87.00893	2.9
89.02433	6.2
93.65824	1.2
95.01365	1.4
95.05044	1.6
101.02439	6.2
108.28941	1.2
109.06611	1.9
113.02457	4.4
125.02453	2.3
127.11284	1.7
143.03528	2.1
143.60269	1.1
161.04619	1.9
163.11285	4.2
171.10283	100.0
172.10640	6.2
179.05676	2.6
179.10799	1.5
207.10245	8.6
211.13431	2.2
225.11339	40.6
225.13548	2.6
226.11649	2.8
235.08255	2.2
243.12369	1.9
253.09277	10.1
254.09975	1.4
277.21747	63.2
278.22055	7.7
281.24835	7.1
282.25165	2.0
305.24628	1.7
350.33621	1.3
397.13550	13.0
400.50192	1.2
407.19379	2.1
415.14319	6.1
416.14847	1.5
443.19144	3.0
461.20282	9.1
584.46503	1.4
710.85144	1.3
721.41296	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	739.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90547	1.0
55.01890	1.4
58.00588	2.2
59.01095	2.2
59.01387	33.7
61.98837	2.3
63.46806	0.9
67.63208	1.1
69.03439	1.7
71.01002	2.0
71.01388	31.3
71.19086	1.5
71.19429	1.5
72.99314	2.5
73.02952	4.6
75.00900	1.5
76.46191	1.1
83.01414	3.5
85.02956	5.7
87.00889	6.2
89.02456	22.7
95.01395	1.8
97.02948	5.8
98.19737	1.1
99.00896	2.9
101.02451	19.8
111.00898	1.4
111.04539	1.1
113.02448	11.0
114.02736	1.1
119.03516	5.8
125.02457	9.7
131.03523	1.3
143.03511	3.6
152.99612	1.4
161.04576	6.0
171.10292	14.1
171.24628	1.1
179.05577	3.9
199.13437	2.7
199.27435	1.5
205.32721	1.1
207.10251	6.5
211.13368	1.8
221.06665	2.0
225.11330	15.2
235.08232	13.8
243.12338	2.1
253.09373	5.9
277.21768	30.0
278.22101	3.8
281.24866	83.8
282.25092	6.3
287.07712	2.4
305.08829	4.1
323.09647	1.7
397.13510	100.0
398.13922	8.5
415.14594	30.4
416.14865	2.8
426.82971	1.1
443.19333	1.7
461.20334	1.9
679.39032	4.2
721.41260	1.8
739.42548	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74352	0.8
59.01379	12.9
61.98841	5.1
64.75481	1.0
69.55940	6.4
71.01386	2.4
78.95907	1.1
82.75201	1.0
85.02962	1.0
87.69276	0.8
89.02454	2.4
93.18234	0.8
96.35964	0.8
101.02419	1.9
161.04602	1.8
176.23456	0.8
183.10240	4.1
183.13934	4.7
191.44322	0.9
193.79770	0.8
195.95146	0.9
197.11804	11.1
211.13399	100.0
212.13734	6.9
247.16780	1.0
249.18588	46.4
250.18941	3.6
253.09323	7.1
277.21869	2.4
279.23267	4.0
280.23599	1.4
284.95248	0.8
429.21219	1.2
447.22302	7.2
537.36719	1.0
646.00470	1.0
739.42542	10.9
740.42792	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	739.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87566	2.4
59.01385	11.1
61.98837	5.5
68.91748	2.4
69.77653	17.6
70.47777	2.4
71.01398	10.8
72.45087	2.8
73.02952	3.4
74.82279	2.7
75.66190	2.6
80.29814	3.0
85.02976	3.6
87.00893	3.6
89.02454	8.2
97.02976	3.6
97.06625	3.1
101.02460	9.4
113.02448	3.1
119.03535	3.2
121.02859	2.5
125.02428	3.4
125.49332	2.9
127.11299	3.8
143.03477	2.7
161.04617	4.8
163.11305	3.0
171.10278	100.0
172.10597	5.2
197.11932	3.3
207.10292	7.9
211.13411	11.6
225.11319	51.7
235.08238	5.1
253.09329	8.4
277.21725	71.3
278.22131	5.7
281.24875	8.1
291.63171	2.7
305.24847	9.5
397.13647	31.5
398.13776	4.2
415.14664	10.1
461.20129	9.3
464.86322	2.6
739.37091	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	739.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83118	0.5
59.01378	5.3
61.98822	1.5
70.13482	2.8
71.01394	1.0
73.10458	0.5
75.62862	0.5
78.95886	0.7
96.96014	1.1
121.07903	0.6
125.09768	0.8
132.40919	0.6
136.05299	1.0
137.06093	15.8
152.04802	4.0
153.09233	1.3
163.07646	2.2
165.05585	100.0
166.05898	5.0
171.10231	0.6
181.08813	0.7
186.92657	0.6
195.14009	1.2
205.12320	1.1
209.11726	0.9
211.13310	0.7
223.13371	6.7
235.08397	0.7
253.09308	0.9
255.02983	0.8
267.77045	0.6
279.02835	0.7
279.16092	1.4
289.31903	0.6
297.17096	0.9
297.56137	0.6
335.78333	0.7
455.07568	0.7
459.22513	0.9
473.29364	1.1
491.30188	18.9
492.30505	2.8
545.37811	0.7
590.20374	0.6
695.36462	36.9
696.36755	9.1
739.29138	0.8
740.10065	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
61.45496	0.3
70.95447	0.9
72.99319	0.7
75.00881	1.0
83.01387	1.6
93.03461	21.2
94.03799	0.5
106.04264	0.5
107.05045	1.0
108.02178	0.6
109.02946	1.5
117.03484	1.1
118.99871	4.7
119.05041	9.0
119.05894	0.5
120.05377	0.4
121.02959	1.2
121.06615	1.0
121.36178	0.3
130.04239	1.0
131.05032	8.0
133.06601	7.7
134.06920	0.5
135.04524	2.7
145.02971	7.3
147.04535	14.8
147.36485	0.3
148.04860	0.9
149.06090	6.5
154.58308	0.3
158.03758	1.7
159.04521	6.9
163.04037	1.5
164.01616	0.3
175.04042	1.8
177.05577	100.0
178.05914	6.5
189.05550	1.8
207.06709	1.6
221.04568	1.5
265.03537	9.9
266.03839	0.8
378.98126	0.4
401.10712	0.5
413.10858	1.1
443.11697	0.4
473.13205	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.7
61.98836	1.6
71.01367	0.5
71.17015	0.7
74.64956	0.4
75.00889	0.5
78.95932	0.4
88.45927	0.4
96.96001	1.8
106.89343	0.5
123.40016	0.4
125.02487	0.6
136.05312	1.3
137.06085	18.8
138.06436	1.0
152.04797	4.1
163.07687	2.7
165.05568	100.0
166.05896	5.0
197.11678	0.5
209.11783	0.5
223.13326	0.8
329.92014	0.4
419.51218	0.5
473.29230	2.6
491.30127	29.8
492.30527	4.6
695.36438	33.9
696.36792	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	739.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45978	0.4
65.37129	0.4
68.09372	0.3
71.01383	0.6
71.37099	0.7
72.03752	0.4
72.99301	0.6
75.00856	1.3
75.91267	0.4
76.62146	0.4
83.01382	1.1
92.14266	0.4
93.03464	24.6
94.03815	0.7
107.05054	0.7
109.02962	4.1
117.03471	1.7
118.99850	3.6
119.05033	9.6
120.05372	0.5
121.02976	1.2
121.06574	1.1
130.04245	1.5
131.05037	9.1
133.06612	8.1
135.04529	2.5
145.02954	5.9
147.04526	15.0
148.04889	0.8
149.06097	6.8
158.03728	1.8
159.04529	7.2
161.02480	0.7
161.05959	0.4
163.04034	1.2
175.04021	1.7
177.05577	100.0
178.05934	6.3
189.05508	1.9
193.05075	0.7
207.06645	1.1
209.91515	0.4
212.66704	0.4
220.74843	0.4
221.04565	1.7
231.06552	0.5
265.03546	10.3
266.03815	0.7
274.51218	0.4
281.02951	0.5
292.68814	0.5
343.27808	0.4
413.10812	1.3
570.28424	0.4
694.56415	0.5
708.75128	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87257	0.2
59.01404	0.5
67.33236	0.2
70.00784	0.8
71.01395	0.8
72.99319	0.5
75.00888	0.7
75.23403	0.2
83.01405	0.9
93.03465	22.2
94.03814	0.7
103.05552	0.3
106.04318	0.5
107.05045	0.8
109.02958	2.6
111.00860	0.5
115.32213	0.3
117.03467	1.1
117.89136	0.2
118.99884	4.0
119.05033	9.0
120.05367	0.6
120.49487	0.2
121.02975	0.9
121.06609	1.1
130.04285	1.4
131.05035	7.7
132.05765	0.3
133.03036	0.2
133.06606	6.6
134.06857	0.4
135.04509	1.5
137.02432	0.4
145.02969	5.3
146.03410	0.4
147.04535	14.6
148.04919	0.6
149.06091	5.4
158.03799	1.8
159.04527	6.2
160.04831	0.3
161.02475	0.8
163.02879	0.2
163.04016	1.4
175.03998	2.7
176.04758	0.3
177.05582	100.0
178.05930	5.7
193.05093	0.5
213.74440	0.3
219.03160	0.2
221.04575	3.7
222.04790	0.4
223.39876	0.3
265.03537	10.5
266.03836	0.8
279.02975	0.9
305.12637	0.5
311.07770	2.1
315.99551	0.3
455.07648	0.4
473.13058	2.7
474.13242	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91948	0.7
59.01366	2.1
67.42488	0.9
67.59085	0.7
70.60577	0.7
71.41804	1.3
73.61752	0.7
75.00876	7.6
76.62816	0.7
82.17677	0.7
91.69749	0.8
102.81593	0.7
109.02986	6.3
117.59394	0.7
121.02969	1.9
133.02896	1.0
135.04529	1.1
145.03011	3.7
147.04506	2.8
157.02902	1.3
158.03603	0.8
159.04413	0.9
161.02393	2.6
163.03966	1.1
167.05055	1.5
173.02406	5.8
174.03168	1.9
175.04007	8.4
177.05521	3.6
179.05008	1.6
183.04575	0.8
185.02516	4.6
187.04016	1.1
195.04529	3.2
197.06041	2.5
201.01950	1.4
207.04565	1.2
213.05583	5.8
221.05960	0.8
223.04041	3.5
224.04703	3.0
225.05505	2.4
235.04019	1.2
236.04396	0.8
237.05661	1.7
241.05028	1.9
243.06612	1.7
249.05421	1.6
250.02704	1.8
251.03513	11.0
252.04303	7.4
253.05000	8.2
254.05809	1.4
255.06618	1.7
261.05524	3.0
263.03528	0.8
264.04514	1.5
265.05084	1.1
269.04581	3.6
273.05423	0.9
277.05212	2.0
278.02463	1.2
278.05841	1.4
279.03003	100.0
280.03583	19.3
281.04550	9.9
289.04935	2.3
291.06512	1.2
292.03998	0.9
293.04623	5.2
293.07635	1.1
301.04922	2.7
302.05777	0.9
303.02945	1.1
305.04266	1.2
306.05167	1.2
307.02774	1.1
307.05984	4.2
317.04614	4.0
318.05316	0.9
319.06067	5.9
332.03113	1.2
333.03992	3.0
335.72260	0.8
345.04141	3.2
346.04333	0.9
365.08130	0.8
396.06586	1.1
409.06985	2.3
411.08560	4.3
413.06699	2.9
421.05676	4.5
427.08359	5.6
428.08444	1.2
429.09766	11.8
430.10107	2.6
437.06693	2.4
455.07712	57.7
456.08176	8.8
473.08945	1.8
531.09442	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	738.371
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91966	1.5
57.03438	3.8
58.00612	2.0
59.01384	33.5
61.52676	1.4
61.98837	21.0
69.03448	2.1
71.01387	17.7
71.05013	1.6
71.18980	2.9
72.99310	2.4
73.02942	5.1
83.01391	2.9
85.02952	6.6
87.00877	7.1
89.02435	5.7
95.01379	2.3
95.05025	2.0
96.96010	3.7
97.06583	6.6
99.00867	1.8
101.02446	11.6
104.24922	1.7
106.06637	1.7
113.02441	7.6
122.06091	4.6
123.08178	3.4
125.09734	34.3
126.10053	2.6
161.02420	1.6
161.04593	2.6
193.10637	1.5
230.15422	4.4
235.08128	3.5
244.17036	20.5
270.18631	15.9
279.02985	1.8
296.16592	3.8
314.17523	7.0
352.26547	2.6
370.27316	3.9
396.25253	4.5
396.29636	2.4
414.26367	5.3
422.27090	4.2
432.27509	8.7
440.27954	11.0
445.63193	1.9
455.07965	2.2
458.29117	16.6
459.29419	3.5
476.30048	5.2
676.37134	10.1
694.34369	44.5
695.34851	13.5
720.36255	6.7
738.37061	100.0
739.37396	34.2
763.91791	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	738.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	3.8
59.01382	35.9
60.01717	1.6
60.89700	1.4
61.98569	1.5
61.98837	19.0
69.07460	1.4
71.01386	17.9
71.61812	1.6
73.02940	5.6
83.01421	2.3
83.05040	1.4
85.02955	7.0
87.00877	7.2
89.02448	5.5
89.43101	1.7
95.01444	1.6
95.05014	2.1
97.02945	1.4
97.06587	6.3
100.50800	1.4
101.02428	13.1
113.02441	6.6
122.06091	4.0
123.08182	2.6
125.09737	29.9
137.06059	2.3
142.45789	1.6
145.05127	1.7
150.06819	2.5
165.05565	7.7
230.15488	3.5
235.08298	2.9
244.17043	21.4
245.17366	2.6
250.12070	1.5
270.18683	15.3
278.15594	1.6
279.02896	1.5
296.16418	3.2
299.18115	1.5
314.17569	6.2
315.70410	1.6
370.27502	6.0
393.60641	1.8
396.25305	4.6
396.29501	3.9
409.55914	1.5
414.26474	5.9
415.26767	1.9
422.26871	2.4
432.27390	12.2
440.28287	6.9
441.28177	2.0
458.29224	15.4
459.29507	2.4
476.30194	3.5
491.29703	2.8
529.05164	1.7
676.36340	3.2
677.36957	2.4
678.43073	2.2
694.34192	40.5
695.39233	8.2
703.39563	3.3
720.35901	2.9
738.37109	100.0
739.37286	27.0
760.56323	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	737.5185
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58146	0.6
55.02960	0.6
59.01385	13.3
69.25864	4.3
69.26288	2.5
70.27661	0.6
71.33703	0.6
71.65038	0.7
75.44917	0.6
80.24345	0.6
81.03464	4.7
83.05028	11.3
98.20655	1.5
125.07215	0.8
145.03006	0.8
194.93619	0.7
201.11325	1.1
207.14986	1.1
224.17680	1.5
225.16089	12.6
226.16461	0.8
309.21991	0.8
378.92905	0.7
433.31781	1.2
450.34232	1.1
451.32913	6.3
452.33084	0.9
550.43683	0.9
659.48828	1.8
677.49707	100.0
678.50018	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
60.17324	0.2
61.98833	100.0
62.25021	0.1
62.98502	0.2
76.68427	0.1
76.81255	0.2
99.35543	0.2
103.71738	0.2
128.25861	0.2
258.83447	0.2
278.22073	0.3
285.38168	0.2
299.79993	0.2
337.74597	0.2
398.14178	0.2
399.14047	0.3
417.15308	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74428	0.1
59.01380	0.2
59.72034	0.1
61.98832	100.0
62.98527	0.2
62.99274	0.1
68.17161	0.1
70.93501	0.1
71.01412	0.1
73.23631	0.1
89.02446	0.2
101.02467	0.1
122.28195	0.1
124.50043	0.1
125.02500	0.1
136.07903	0.1
172.95857	0.1
229.09528	0.1
277.21823	0.2
278.22272	0.3
279.22186	0.1
290.31982	0.1
397.13531	0.1
398.13885	0.1
399.14166	0.2
400.14218	0.1
417.15286	0.1
502.92545	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	737.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35943	0.6
59.01378	6.7
61.98826	0.9
69.03467	3.5
69.44766	0.7
70.09967	2.4
70.10391	1.2
71.01392	4.7
71.05029	1.9
73.02952	1.0
79.81565	0.6
82.74477	0.6
83.01400	0.8
85.02956	2.4
87.00875	1.1
89.02441	3.1
96.27686	0.7
97.02901	0.7
101.02443	4.0
113.02455	1.9
114.19151	0.7
125.09700	2.3
151.11305	2.3
153.12836	1.4
161.04506	0.7
161.09706	3.0
169.12398	0.9
179.10745	6.1
197.11838	86.7
198.12218	5.0
205.08664	1.5
223.09676	2.8
241.10840	4.9
253.09241	3.8
277.21725	30.0
278.22012	2.6
350.38226	0.8
459.19070	1.6
477.19583	2.8
585.57080	0.7
737.41180	100.0
738.41614	25.1
738.54730	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.7
57.03448	0.9
59.01382	5.0
61.98828	1.4
65.81449	0.4
69.03463	4.8
69.96844	1.3
71.01385	5.2
71.05030	1.6
72.99309	0.6
73.02959	0.7
81.03463	0.6
83.01397	0.5
83.05016	0.8
85.02975	1.0
87.00889	1.1
88.80034	0.4
89.02450	2.0
93.03497	0.6
95.00805	0.4
95.01373	0.6
95.05043	0.5
97.02946	1.1
97.06599	0.8
97.86051	0.3
101.02453	3.9
113.02465	1.8
123.08174	1.5
125.09698	2.0
149.09715	0.6
151.11310	2.4
153.12814	1.1
153.38028	0.4
161.04559	1.3
161.09711	4.4
162.09911	0.4
169.12326	1.1
179.10782	8.8
197.11836	43.3
198.12201	2.7
222.81830	0.4
223.09715	1.1
226.96982	0.4
235.08218	0.7
241.10818	2.0
253.09297	2.3
277.21729	53.5
278.22052	5.9
298.67215	0.4
339.82068	0.4
393.49957	0.5
454.74756	0.5
459.18668	1.0
477.19937	1.7
669.25720	0.5
737.41168	100.0
738.41498	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	2.1
59.01382	27.0
61.98833	12.5
69.03459	3.6
71.01391	29.9
71.19051	2.4
73.02945	6.0
78.95925	1.7
81.03454	2.7
83.01406	3.9
85.02959	7.0
87.00881	17.3
89.02447	23.7
94.71867	1.4
95.01409	2.5
96.96018	11.8
96.96968	2.2
97.02956	4.5
99.00875	2.4
101.02448	24.9
113.02458	15.7
119.03551	6.2
121.02866	1.5
125.02445	12.3
131.03514	1.9
143.03517	7.5
161.04521	6.9
179.05624	6.6
207.10194	3.6
209.11832	5.4
211.13464	1.8
227.12805	1.6
235.08234	12.9
249.50305	1.2
250.30682	1.5
253.09334	10.3
279.23300	100.0
280.23648	9.2
287.07721	5.5
291.19775	4.3
293.21271	2.6
303.23257	3.5
305.08704	6.3
323.09830	4.4
397.13525	76.2
398.13968	6.1
415.14600	51.1
416.14865	4.8
427.79947	1.3
443.44104	1.4
580.14941	1.3
677.37146	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	737.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21321	2.4
56.91465	2.9
59.01382	31.7
61.98827	6.6
71.01402	28.7
71.60897	2.6
73.02936	6.3
78.95911	2.4
80.91706	2.4
82.95409	4.1
85.02962	7.0
87.00877	5.9
89.02442	23.0
93.79443	2.2
97.02947	4.1
101.02459	27.6
113.02447	11.7
119.03500	9.3
125.02429	8.3
134.73280	2.6
143.03560	3.9
161.04584	5.8
179.05609	5.6
197.41425	2.5
207.10268	7.1
209.07927	8.7
211.13379	19.9
235.08200	12.1
253.09177	3.9
277.21707	3.6
279.23315	74.7
280.23657	7.4
287.07672	4.5
289.18222	5.1
293.21326	4.6
302.20560	2.5
305.08609	4.9
307.19165	5.2
347.73346	3.0
353.23126	2.8
397.13550	100.0
398.13715	9.6
415.14594	34.2
429.26532	2.5
434.85251	2.6
677.37103	4.0
737.42883	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	736.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.3
60.01702	0.3
61.98832	100.0
62.98532	0.3
71.01394	0.3
71.61942	0.2
73.02934	0.1
75.00854	0.2
80.91690	0.3
86.34174	0.1
88.98796	0.1
96.96024	0.1
101.02465	0.3
103.24197	0.1
113.02525	0.2
176.27834	0.1
201.11316	0.2
237.13379	0.1
333.24536	0.1
587.25665	0.2
638.31097	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	5.9
61.98824	2.7
62.21438	0.9
69.03464	2.3
71.01392	3.9
71.61237	1.1
78.95911	1.2
81.03424	1.3
83.05016	1.4
85.02927	1.3
86.75941	1.0
89.02462	2.7
95.05013	0.9
101.02452	3.1
103.01181	1.0
109.06657	1.4
111.08167	10.6
113.02435	2.0
113.09682	1.1
114.93410	6.4
137.73346	1.0
149.09721	1.8
161.04573	1.6
167.10817	5.4
177.12886	2.1
177.95534	1.0
179.05705	1.1
179.10831	2.2
179.14426	3.6
195.13914	14.8
197.11810	2.7
205.12350	8.8
223.13400	92.9
224.13716	7.3
235.08270	3.9
237.15074	1.0
247.20728	2.0
252.54814	1.1
253.09296	9.4
273.18637	1.2
277.18118	1.9
291.19672	100.0
292.20016	10.8
459.22415	6.9
460.22882	1.3
509.27338	1.2
527.28601	9.1
733.41095	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	735.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90001	7.2
59.52265	7.2
61.98836	21.0
62.92589	7.9
70.92050	16.6
78.95946	9.4
102.94839	8.1
109.06630	9.0
169.46286	8.3
207.10229	34.9
223.76126	10.3
235.08266	13.6
255.23326	100.0
699.43280	34.9
735.39691	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	735.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.5
61.98819	1.0
69.03448	2.0
71.01391	3.6
71.05070	0.5
73.02968	0.9
74.48182	0.4
80.56062	0.5
83.05067	0.6
85.02957	1.4
87.00848	0.7
87.62321	0.5
89.02448	3.0
95.05008	0.9
97.06602	0.7
98.20253	3.7
101.02441	3.9
113.02427	2.0
119.03510	0.6
161.04506	1.3
161.13472	0.6
167.10785	2.6
177.12854	0.8
179.05630	0.6
179.10834	1.2
179.14395	3.5
195.13902	15.3
196.14423	1.3
197.11832	5.6
200.35878	0.5
205.12334	10.0
206.12526	0.6
211.13345	0.6
223.13396	100.0
224.13759	6.8
225.14870	0.9
228.13531	0.6
235.08214	3.7
253.09291	18.1
254.09644	0.8
275.20145	6.0
276.20322	0.6
277.21667	1.0
293.21249	82.1
294.21567	9.0
319.22693	0.8
459.22363	10.7
460.22662	1.2
499.34058	0.7
529.30609	1.2
735.41168	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	732.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.8
59.98276	0.1
61.98835	100.0
63.43501	0.1
70.77206	0.2
70.77554	0.1
71.01405	0.1
75.00883	0.2
88.98832	0.2
108.71602	0.1
111.01501	0.1
134.35847	0.1
209.11864	0.2
210.12312	0.1
223.13490	0.1
487.24112	0.1
525.64044	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	731.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82820	0.2
53.40058	0.2
57.51343	0.2
59.01390	0.5
60.35690	0.3
69.42377	2.0
76.55196	0.2
89.02476	0.3
93.03463	3.8
94.03812	0.3
107.04999	0.2
109.02959	0.4
117.03413	0.4
119.05029	100.0
120.05363	4.6
125.02477	0.4
131.05019	1.1
133.06575	1.0
145.02963	0.7
147.04539	1.7
149.06088	0.5
159.04491	0.7
163.04010	98.8
164.04346	4.7
168.08847	0.2
175.03978	0.5
177.05571	13.1
178.05893	0.7
200.04198	0.2
265.03482	1.1
285.03888	0.6
303.05124	0.9
325.09271	14.0
326.09656	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27602	1.0
59.01380	16.6
61.98838	6.1
69.03428	1.0
70.75120	2.6
70.82238	1.0
71.01381	4.4
78.95845	1.0
85.02956	1.7
89.02420	1.6
91.76252	1.1
101.02468	2.5
113.02443	1.1
131.59802	1.2
142.84517	1.0
153.12877	1.2
161.04543	1.4
169.12347	8.1
179.14439	1.8
195.13832	4.1
197.11832	100.0
198.12157	5.2
205.12279	5.3
205.70201	1.0
223.13393	55.5
224.13632	4.1
235.08255	3.3
253.09268	4.5
269.01404	1.0
338.16406	1.1
433.20749	10.2
441.21170	3.3
459.22467	7.2
621.32599	2.7
639.34100	4.5
640.33252	1.5
731.32019	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	731.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04719	0.7
53.44044	0.7
55.42488	0.8
57.03449	1.2
57.65569	0.7
59.01384	72.7
60.44348	0.7
60.99305	1.0
61.98837	9.6
69.83652	4.3
70.99258	0.9
71.01395	11.4
72.99308	1.8
73.02942	4.4
75.00872	2.1
78.95924	1.3
83.01393	1.8
85.02955	5.2
87.00867	1.3
88.98803	4.2
89.02432	4.5
96.95997	1.3
99.00873	0.7
101.02448	7.7
113.02464	3.8
119.03527	1.1
161.04564	1.0
187.09792	2.4
345.33994	0.8
423.34964	0.8
483.30167	1.2
645.42365	1.0
669.42670	1.2
687.43311	100.0
688.43677	22.9
731.39520	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.388
Annotation	Unknow
Peak:m/z	Relative Intensity
59.64295	0.3
60.99319	0.5
61.98835	100.0
68.67402	0.3
71.61906	0.5
73.79356	0.3
80.17001	0.3
87.00878	0.4
88.98803	2.2
89.02481	0.9
107.18237	0.3
139.03725	0.3
200.87048	0.3
239.29918	0.3
332.90536	0.3
342.96298	0.3
481.15048	0.4
555.18854	1.8
659.23889	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.2
61.98822	1.1
65.06947	0.3
69.32831	0.8
69.33240	2.0
71.01395	1.6
72.99309	3.0
73.77114	0.3
73.99659	0.4
75.00878	100.0
76.01220	0.9
87.00910	0.4
89.02442	1.4
101.02454	1.1
113.02438	0.7
120.45097	0.3
123.41448	0.3
125.02457	0.4
138.06778	0.3
139.74422	0.3
142.07896	0.3
175.33533	0.3
179.05629	0.4
201.19492	0.3
235.08240	0.5
255.23328	3.1
256.23746	0.4
287.07504	0.4
397.13531	7.3
398.13776	0.7
415.14569	2.1
528.06061	0.3
653.37585	0.8
710.70245	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65709	0.2
56.34573	0.2
59.01382	1.4
61.98835	100.0
68.44780	0.2
71.01405	0.4
73.50142	0.2
85.87667	0.2
88.98837	0.4
101.02453	0.3
103.40013	0.2
106.30181	0.2
147.45483	0.2
163.06104	0.2
166.77498	0.2
178.69743	0.2
197.11867	0.6
200.80611	0.2
223.13475	0.5
224.86444	0.2
277.45831	0.2
422.29089	1.1
464.30618	0.3
614.88348	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.2
58.45090	0.2
59.01381	0.9
61.98832	1.4
71.01390	1.0
72.99319	3.2
73.99663	0.3
75.00879	100.0
76.01218	0.9
87.00903	0.3
89.02454	1.1
96.96021	0.5
98.19814	0.4
98.20490	1.1
101.02457	1.0
113.02490	0.4
125.02436	0.5
179.05637	0.2
235.08293	0.7
255.23312	2.7
256.07376	0.2
256.23813	0.3
265.14856	0.7
397.13470	6.4
398.13986	0.6
415.14502	1.5
433.11047	0.2
551.80115	0.2
653.37494	0.6
693.34277	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.8
61.98835	5.9
67.44128	1.3
69.46127	9.7
71.01384	10.5
73.02952	4.0
78.98596	7.2
79.95737	16.1
80.96519	84.8
85.02943	3.4
87.00880	4.1
94.98096	19.5
96.96008	2.5
97.02951	1.9
98.19923	2.9
98.20571	2.5
99.00788	1.1
101.02434	3.1
106.98098	4.4
122.97577	4.1
125.02507	2.6
134.97557	4.2
136.99117	2.1
148.99178	5.5
152.98628	6.5
164.98622	13.1
185.11812	1.2
194.64030	1.2
206.99699	3.1
223.13409	1.7
225.00746	19.3
477.04514	1.3
505.17654	3.2
550.79797	1.3
685.44208	2.4
729.31592	100.0
730.31824	21.6
730.43579	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	729.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24826	1.1
57.03440	1.5
59.01388	7.9
59.39172	1.3
61.98830	8.5
63.96284	1.1
70.76765	3.8
71.01368	3.6
73.02943	2.0
75.00869	4.6
85.02926	2.0
87.00884	1.7
89.02424	2.8
93.03446	2.7
96.95985	2.4
101.02454	1.5
105.75639	1.4
109.02968	2.9
113.02422	2.5
118.76923	1.2
119.05038	3.7
127.71687	1.2
128.28645	1.3
136.94139	1.3
145.02963	6.9
146.45146	1.4
149.06064	5.1
150.06883	47.6
151.07166	2.8
161.02435	2.1
162.06935	2.9
163.06277	1.9
163.07666	38.6
164.08339	6.3
165.05544	1.7
176.08366	3.1
177.05463	1.9
177.09201	2.6
178.09956	3.6
179.10799	11.4
201.11258	1.8
216.95192	1.6
255.03108	1.4
267.54880	1.5
285.03894	1.8
299.22415	1.7
301.20160	3.2
404.29279	10.2
418.30920	23.1
419.31613	15.8
434.30295	3.8
435.31088	6.0
437.14832	2.5
462.29919	9.9
463.30832	10.8
464.31122	2.6
480.30798	5.7
481.31775	12.0
523.32617	2.5
625.35925	24.2
626.36310	6.0
643.37189	8.6
644.38757	1.4
685.38007	100.0
686.38416	23.5
729.39099	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	729.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75470	0.7
59.01383	10.7
61.98840	0.6
64.85107	0.6
69.03454	0.9
71.01392	12.0
72.99324	0.9
73.02950	4.6
75.00874	15.9
76.01212	0.7
83.01401	0.8
84.59827	0.6
85.02943	2.0
89.02450	14.0
90.82147	0.6
93.03480	0.7
99.00878	7.9
100.60683	0.7
101.02461	7.5
109.02960	7.1
113.02460	2.9
119.03519	1.7
119.05032	3.6
119.05785	0.7
121.03012	1.0
125.02450	1.9
127.10181	0.6
131.03508	1.5
135.04536	5.6
143.03426	0.8
145.02936	1.0
147.04570	1.3
149.04570	3.0
149.06024	0.8
153.09145	1.3
159.04494	0.8
161.02443	4.5
161.04552	2.8
163.07660	100.0
164.07994	6.1
175.04042	0.8
177.05569	0.8
179.03505	1.0
181.22559	0.7
189.72253	0.9
191.05621	2.6
193.05083	4.3
211.09715	0.8
237.04158	1.0
255.03012	1.6
273.18655	1.2
284.03195	1.5
285.04041	3.3
300.02600	1.1
301.03375	1.0
311.01965	1.5
312.02261	1.7
313.02609	1.9
362.08292	0.7
375.18008	0.8
447.09409	1.7
463.18420	1.6
479.18307	4.7
521.19000	3.4
608.12042	0.9
609.11450	5.0
609.25366	3.9
610.12567	1.2
610.25977	1.1
627.26569	22.2
628.27222	3.8
685.27136	55.0
686.27502	10.8
702.84485	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08936	0.8
59.01384	10.8
70.01215	3.9
71.01386	4.9
75.00884	2.0
80.05061	6.0
92.05070	1.3
92.24142	0.8
93.03473	2.7
94.06615	7.7
98.20573	1.1
106.06634	9.4
108.08199	13.8
109.02905	1.5
115.00391	1.1
118.06609	4.7
118.99825	1.0
119.05077	1.0
120.04566	2.6
120.08195	100.0
121.08534	3.2
125.02361	1.1
133.01439	2.6
134.06108	10.9
135.04474	1.3
135.06554	0.8
146.06117	1.6
148.07646	1.1
149.58701	0.8
151.00386	1.9
152.07182	25.9
161.02483	2.1
162.09242	1.6
163.04031	1.0
164.07169	18.7
178.05086	5.0
183.09262	2.0
185.10887	5.0
196.06158	8.9
198.11632	2.6
201.14055	1.0
207.61261	0.9
213.13934	5.2
227.11812	2.1
237.03938	0.9
239.11771	2.0
245.12944	8.9
254.14323	1.0
255.02818	0.9
255.14819	0.8
257.04669	1.1
257.12952	3.6
273.16135	2.0
286.56104	0.8
293.04672	1.2
299.14069	5.5
300.14117	1.0
317.15039	57.6
318.15439	5.2
325.11990	1.2
343.12994	1.0
361.14056	26.7
362.14334	2.7
387.11813	2.3
403.15140	2.8
405.13037	59.0
406.13431	6.0
523.19220	4.6
549.17273	3.8
567.18304	80.2
568.18677	13.5
609.11670	1.9
669.19318	1.0
729.23267	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	729.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
65.46761	0.3
69.52968	0.9
69.53385	1.7
71.01391	1.1
72.99306	0.6
75.00864	1.3
83.01399	1.0
93.03467	22.3
94.03794	0.9
106.04269	0.7
107.05037	1.1
111.09994	0.3
117.03461	1.1
118.99859	4.3
119.05032	9.0
120.05337	0.4
121.02950	0.9
121.06610	1.1
130.04266	1.6
131.05045	8.4
132.05438	0.6
133.02953	0.4
133.06604	6.9
134.03735	0.4
135.04536	1.1
143.93956	0.3
145.02983	5.2
147.04533	16.1
148.04878	0.7
149.06094	5.3
151.00398	0.9
158.03784	1.8
159.04532	7.3
161.02441	1.0
163.04018	1.3
175.04007	2.5
177.05577	100.0
178.05922	6.2
178.99875	0.4
221.04567	1.2
241.72647	0.3
249.03751	0.4
255.03006	1.0
265.03546	10.2
266.03918	0.7
271.02481	3.0
300.02789	5.3
301.03516	2.9
463.08832	8.4
464.09134	1.4
685.26862	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.44462	0.2
69.59306	1.5
71.01381	0.4
72.99319	0.8
75.00877	2.0
83.01380	0.3
108.02190	1.8
109.02959	100.0
110.03289	3.9
118.99868	3.3
119.05058	0.2
121.02967	0.4
133.02977	1.1
135.04521	1.2
145.02975	0.4
147.04532	1.0
149.06094	3.1
151.00398	0.6
151.03983	0.3
161.02455	7.6
162.02823	0.6
163.04085	0.2
175.04034	0.8
177.05547	0.3
178.99905	0.3
179.03516	0.9
191.03537	3.1
192.03987	0.5
193.05064	9.9
194.05470	0.4
237.04044	3.0
243.03026	0.3
255.02983	0.6
271.02524	1.9
272.03107	0.3
281.03030	4.5
300.02792	3.0
301.03546	2.6
302.04102	0.3
314.87244	0.3
367.40085	0.2
447.09296	5.6
447.15289	0.4
448.09732	0.8
567.19897	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.2
61.98832	100.0
62.98542	0.2
67.85905	0.1
98.00399	0.1
98.19869	0.3
118.42627	0.1
141.31645	0.1
205.67783	0.2
223.13341	0.7
224.13783	0.5
225.14000	0.4
229.31808	0.2
248.19633	0.1
389.11896	0.2
609.77148	0.2
746.45953	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36376	1.8
71.01404	0.5
72.99315	0.9
75.00880	2.0
78.41511	0.2
83.01401	0.2
91.01913	0.3
108.02202	1.6
109.02962	100.0
109.53629	0.2
110.03295	3.1
118.99867	3.5
119.05062	0.5
121.02983	0.4
133.02960	1.4
135.04510	1.5
145.02951	0.7
147.04538	1.0
148.05293	0.3
149.06104	3.2
151.00415	0.7
151.03972	0.2
161.02457	8.6
162.02815	0.6
162.18729	0.2
169.45842	0.2
175.04036	0.7
178.99829	0.3
179.03499	1.0
191.01945	0.3
191.03529	3.2
192.04236	0.4
193.05075	10.0
194.05397	0.7
227.03598	0.3
237.04044	3.0
243.03073	0.2
255.03049	0.7
271.02454	1.5
272.03015	0.3
281.02985	3.6
281.05539	0.3
300.02774	3.2
301.03525	2.4
433.08554	0.2
447.09418	6.1
448.09811	0.7
685.26483	0.3
735.77197	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79563	1.2
56.10833	1.3
59.01377	5.2
59.96090	1.4
61.98836	13.6
71.01387	1.6
71.61647	1.5
74.15063	1.3
78.95902	1.3
87.62814	1.2
89.02459	1.5
91.98215	1.3
108.32883	1.5
116.92836	1.7
122.47876	1.3
177.98183	1.5
181.15990	5.4
185.18750	1.3
207.10265	1.4
210.04124	1.3
223.13489	1.9
225.14949	4.4
233.19148	2.6
247.20689	10.1
265.21692	2.0
273.18405	1.9
277.18106	5.2
291.19647	20.1
293.20956	1.5
295.19186	2.2
297.97208	1.4
309.20712	20.4
311.18576	3.4
383.24509	10.9
384.24738	2.4
412.54831	1.5
413.34286	1.9
429.37277	3.8
449.69464	1.3
455.35242	3.3
473.36386	7.7
491.37424	17.2
492.37341	3.3
507.96048	1.6
517.34967	1.7
591.39563	2.3
609.40363	7.1
683.43768	100.0
684.44214	26.8
727.42615	2.5
737.63214	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	25.4
61.98837	4.4
71.01394	4.2
72.25395	1.4
78.95916	2.2
89.02435	2.9
101.02497	1.8
116.92863	4.1
152.99557	2.2
169.12321	3.2
171.10277	85.2
172.10622	4.3
195.14653	1.4
197.11842	51.3
198.12111	2.5
210.12312	1.6
219.23222	1.5
229.37599	1.8
235.08153	3.7
251.20155	26.1
252.20514	3.9
253.09282	9.4
255.23366	3.3
277.21735	100.0
278.22052	11.0
372.90244	1.6
394.32626	1.5
408.56296	1.6
433.20883	2.2
513.30603	2.0
709.39618	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	727.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	1.1
59.01101	1.8
59.01384	30.7
61.98827	2.9
62.06715	1.0
69.03456	2.1
69.31118	10.6
71.01387	25.4
71.99990	1.1
72.99286	2.4
73.02950	3.9
75.00879	1.2
81.03423	1.2
83.01380	3.1
85.02950	4.4
87.00871	4.9
89.02452	21.0
95.01421	1.7
97.02950	3.7
99.00871	2.3
101.02447	19.8
113.02437	8.5
119.03520	5.8
125.02448	9.0
131.03511	1.2
141.76340	1.1
143.03487	4.9
143.66014	1.0
161.04518	3.6
169.12346	3.3
171.10294	5.2
179.05600	4.4
221.06650	1.1
235.08255	10.6
253.09290	2.9
269.24872	75.9
270.25156	6.4
277.21600	6.8
287.07697	3.2
305.08734	3.4
397.13516	100.0
398.13794	9.1
415.14603	28.5
416.14975	2.5
657.09235	1.3
667.39154	3.4
668.39697	1.5
727.42834	10.6
728.43127	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	727.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72670	2.5
59.01376	29.1
61.98816	8.7
62.50491	2.2
69.35426	19.2
71.01389	29.9
73.02953	7.3
76.90495	2.1
85.02938	9.8
87.00875	4.7
89.02441	22.7
97.02943	5.9
97.17348	2.2
97.72298	2.3
98.20624	6.3
101.02442	20.6
113.02444	9.8
116.92876	13.1
119.03508	6.3
125.02435	7.4
143.03471	4.8
161.04546	5.5
171.01547	2.6
179.05534	3.6
220.79796	2.4
235.08180	12.0
269.24847	72.8
270.25201	7.5
277.21652	2.8
305.08740	3.7
374.02496	2.6
397.13513	100.0
398.13879	6.4
415.14539	30.8
667.39838	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	727.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.2
61.98832	26.1
71.09837	1.9
74.09422	1.0
78.95895	1.3
116.92854	1.7
150.24420	1.0
181.15950	5.2
195.17467	1.4
199.09914	1.3
223.13426	1.7
224.13821	1.5
225.15019	2.7
233.19072	1.0
239.19981	1.3
241.18097	2.4
247.20656	10.8
259.17267	1.4
265.21774	2.1
267.19592	1.3
273.18771	1.4
277.18100	4.8
291.19662	18.6
292.19962	2.4
295.19217	3.2
309.20700	17.2
310.21417	1.0
311.18686	3.2
369.22726	2.5
383.24435	10.6
413.33914	1.3
429.37421	4.2
455.35458	3.1
473.36334	9.7
473.73804	1.1
491.37561	16.9
492.37701	2.6
517.35944	1.3
517.85089	1.2
565.41351	1.4
591.39117	3.3
609.40131	5.7
610.40576	1.3
683.43744	100.0
684.44196	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	727.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54745	0.6
59.01377	2.4
60.98995	0.9
60.99312	17.9
61.98846	3.7
74.27930	0.5
87.00882	1.1
88.00404	3.3
88.98812	100.0
89.02450	12.5
89.99146	0.7
96.96029	0.6
99.92597	0.5
109.83813	0.5
116.92834	0.8
153.88953	0.5
194.72707	0.5
207.04605	0.5
207.10303	1.0
223.13396	1.2
727.39026	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	14.4
61.98815	10.0
69.90781	19.8
69.91187	25.8
69.94668	8.8
98.19797	8.2
98.64459	8.0
116.92879	7.9
145.02991	14.9
163.09096	8.8
171.10287	100.0
172.10652	8.2
223.13370	11.4
255.23294	10.5
264.07327	9.4
277.21735	43.5
297.15524	8.9
366.10614	9.2
466.04648	8.6
727.39337	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	727.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39534	2.3
59.01384	20.9
61.98825	7.5
71.01390	27.0
71.62146	4.0
73.02943	7.2
75.00871	10.0
83.01389	4.8
85.02926	13.1
87.00885	7.3
89.02451	10.0
96.09280	2.3
99.00922	12.9
99.92619	3.6
101.02455	12.7
106.06615	27.9
109.02927	2.5
113.02458	9.8
116.05054	6.0
116.92856	25.7
118.99833	3.7
119.03521	3.7
119.05010	3.6
121.02972	2.5
122.06176	2.2
131.03503	3.1
133.02969	5.5
134.03699	2.6
134.06155	6.5
145.03001	7.6
147.04517	8.7
148.05338	14.4
150.05634	25.2
150.06868	4.0
158.09752	7.9
161.02477	5.7
161.04535	6.4
163.04036	3.4
164.07162	3.9
165.17204	2.7
170.09799	4.6
177.05554	13.3
178.05840	2.4
179.05632	3.7
184.11415	2.7
186.12874	20.4
191.03496	4.9
195.43507	2.5
221.06691	3.3
225.06642	3.2
226.07465	21.7
227.03423	2.9
228.10300	8.4
230.11842	10.2
237.10304	3.8
239.08191	7.7
240.08952	9.4
253.05202	5.7
254.10735	15.8
255.02983	3.5
255.11394	100.0
256.09637	7.2
256.11890	8.7
267.03424	2.8
274.10876	28.2
279.02969	2.6
285.04053	6.9
297.12469	3.7
299.10352	57.2
300.10757	4.2
316.11734	2.8
317.11603	4.5
321.12503	2.8
337.15622	2.9
338.16083	6.3
341.11459	4.3
363.13400	3.6
363.85461	2.4
376.14053	3.0
382.15070	7.7
383.16055	3.3
443.14859	5.4
461.15762	8.3
478.17264	22.7
479.17334	4.0
502.23810	3.7
503.16678	30.1
503.23782	7.3
504.17444	2.5
521.17981	3.8
521.24969	5.0
547.22845	8.1
547.46515	3.1
560.15942	6.0
563.12915	3.8
565.23877	6.7
607.23883	13.6
617.34631	3.0
640.22577	4.7
665.22015	47.8
666.22284	10.6
683.22980	20.0
684.23346	4.4
709.27118	5.9
727.27881	12.2
727.40137	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	727.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
61.80397	0.8
69.38905	7.9
72.99305	2.5
73.21198	0.8
75.00879	10.0
93.03468	2.6
109.02941	3.0
118.99839	3.3
121.02963	4.7
135.04507	1.5
138.05618	2.0
145.02905	1.1
148.01706	1.4
149.02380	1.2
161.02454	1.9
170.03757	0.9
173.02432	1.2
175.03882	1.4
177.05600	0.9
195.04485	0.8
198.03175	1.1
199.03937	0.9
201.01924	0.9
211.03966	3.2
213.05510	2.1
223.03990	11.4
224.04637	2.2
225.05461	1.4
227.03505	1.8
229.01471	1.0
235.03931	3.1
238.02672	1.2
239.03525	10.2
240.04193	3.1
241.05075	3.2
243.02940	1.0
251.03459	2.2
252.04112	1.0
253.04785	1.1
255.02994	2.1
256.00119	1.2
266.02179	3.6
267.02985	21.7
268.03360	2.0
269.00842	3.6
269.04517	3.0
279.03030	6.3
279.05862	1.4
280.03714	4.0
283.02585	1.8
284.03110	1.2
285.04065	2.5
295.02612	4.5
295.05627	1.3
297.04095	1.5
307.05997	1.5
308.25354	1.0
311.01889	2.2
315.06665	3.0
316.07529	1.5
324.02762	1.8
327.06339	1.7
328.07529	1.0
343.06287	4.3
344.06613	2.0
345.07706	2.4
353.04553	1.7
355.05850	0.9
357.07748	1.0
359.05426	4.1
371.05585	3.0
372.06311	1.6
373.07324	1.2
387.05069	3.5
388.05588	3.2
389.06625	2.0
396.26526	1.0
400.05927	7.3
401.06665	13.9
402.07254	1.3
403.03979	1.0
416.05405	31.0
417.06128	27.7
418.06595	3.8
419.03702	1.9
434.06378	5.2
435.07138	5.0
460.04434	1.2
461.05142	2.6
521.06958	2.2
522.08038	1.1
537.06165	1.3
555.11273	0.9
563.11951	100.0
564.12250	19.1
565.10144	1.5
567.11176	2.2
581.12952	7.3
582.13495	1.1
607.10919	12.2
608.11572	2.1
639.13672	1.8
683.12286	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	727.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50391	0.8
59.01373	1.8
63.14469	0.8
63.89450	0.7
70.11649	3.6
72.99314	1.5
75.00877	10.8
78.69035	0.7
88.40894	0.8
88.57330	0.9
93.03472	2.7
98.20006	1.1
109.02986	3.5
117.44727	0.7
118.99889	3.0
119.05000	1.3
119.07393	0.8
121.02976	7.3
136.08652	0.8
137.02446	1.0
139.04053	1.1
147.04549	1.3
148.01686	2.4
149.02385	0.9
161.02490	2.5
161.06224	0.9
163.04108	1.1
175.04012	1.3
177.05597	3.7
185.02525	1.1
195.04579	1.5
199.04012	1.1
211.03989	3.6
213.05595	1.7
223.04039	13.7
224.04572	2.0
225.05563	1.6
226.02681	1.3
227.03598	1.1
235.03967	2.5
239.03513	9.7
240.04237	1.9
241.05014	3.2
242.02150	1.3
243.02893	1.0
251.03615	2.3
252.04108	1.3
253.04951	1.4
255.03024	1.4
255.06773	1.1
256.00195	2.0
266.02225	4.1
267.02985	22.5
268.03387	2.1
269.01013	2.6
269.04575	2.0
277.05414	1.1
279.03033	5.5
280.03748	3.0
281.04422	1.1
282.01660	1.0
283.02539	1.7
285.04083	3.6
295.02689	4.7
295.05600	1.2
297.03922	1.8
311.01886	1.6
315.06708	1.3
316.07239	1.2
318.05362	1.1
327.06686	1.3
342.05371	1.0
343.06229	2.5
344.06815	2.7
345.07645	1.9
359.05585	2.9
371.05554	3.9
373.07196	1.2
387.05185	3.5
388.05807	2.5
389.06546	1.9
400.05756	5.6
401.06577	7.5
416.05402	28.1
417.06104	28.4
418.06601	3.1
419.03946	2.0
433.05273	1.0
434.06363	5.6
435.07101	5.5
460.04501	2.0
461.05197	2.1
521.07440	1.4
537.06805	2.2
563.11951	100.0
564.12408	16.8
565.10419	0.9
567.10864	1.2
581.13196	7.1
582.12836	1.8
591.57678	1.1
607.11096	10.0
608.10809	1.3
639.13770	1.5
683.12927	7.0
684.13092	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14001	0.2
71.62080	0.4
75.00885	0.6
93.03490	0.2
99.92595	10.6
100.92587	0.4
109.02962	0.3
114.93458	0.5
116.92869	100.0
116.98328	0.9
117.92876	5.7
145.03001	0.4
151.00372	0.8
157.47530	0.2
161.02541	0.4
178.99908	0.5
185.02478	0.3
243.03256	0.3
253.05035	0.3
255.02992	1.5
271.02463	3.1
280.03796	0.3
281.04337	0.3
283.02612	0.3
299.01999	0.3
300.02762	6.1
301.03445	3.0
519.69586	0.2
563.13135	0.4
609.14612	11.8
610.14795	2.0
673.04907	0.4
709.07275	0.8
759.96759	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17362	0.8
59.01371	1.8
65.00330	2.1
69.51038	5.7
71.01391	0.9
74.36453	0.9
74.72370	1.0
75.00872	10.1
78.76774	0.8
80.82934	0.7
83.28635	0.8
89.02457	0.9
93.03460	1.3
93.73854	0.8
109.02953	2.6
116.92854	1.0
119.05025	1.3
121.02956	3.8
133.02956	1.3
145.02946	1.7
146.03658	1.1
149.02432	1.0
151.00334	1.0
158.03593	0.8
159.04506	1.5
161.02455	3.9
163.00325	1.2
171.04449	1.0
172.05289	2.0
173.02446	1.3
175.03973	1.1
176.01173	1.1
183.04460	1.7
183.43806	1.0
185.02515	1.6
187.03899	1.7
195.04523	0.9
198.03136	1.1
199.03964	5.8
200.04391	0.8
201.01848	2.0
202.99930	2.0
211.03983	3.6
215.03453	2.2
223.03952	1.7
226.02666	2.0
227.03474	5.3
228.04271	2.4
239.03510	4.5
241.01471	0.9
243.02916	3.7
251.03383	1.1
253.05052	2.4
255.02873	4.3
256.03720	0.9
265.05020	1.3
266.01953	1.1
267.02948	5.4
267.06650	1.0
271.02463	1.7
279.02933	3.5
280.03262	0.9
282.01663	3.5
283.02466	7.0
283.13397	5.1
284.03180	2.2
285.04010	2.9
295.02414	2.4
299.01877	1.8
300.02591	0.9
301.14267	1.5
307.05667	1.1
309.00525	1.5
309.15155	1.8
310.01175	16.8
311.01968	60.0
312.02319	5.4
313.03464	1.6
323.01941	2.1
338.00638	1.1
339.01453	11.0
340.02191	2.1
353.13925	2.4
360.06726	1.0
371.14941	1.1
403.05057	0.9
415.04517	1.7
416.05457	1.2
417.05988	3.8
419.04172	1.3
434.06387	3.4
435.06970	1.7
443.04123	2.4
460.04330	12.4
461.05075	21.0
462.05472	2.7
563.13245	2.6
563.20844	1.9
564.13910	1.2
581.13141	5.9
581.24774	1.2
598.70953	0.9
607.10956	100.0
607.23340	6.2
608.11395	18.9
608.21906	1.6
625.26013	1.0
683.12207	1.9
683.27814	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18747	0.4
65.29107	0.4
69.92709	1.7
71.01361	1.0
72.99290	0.5
75.00884	5.7
83.01392	1.4
90.23970	0.4
92.02255	0.5
93.03465	21.4
94.03798	1.1
98.19967	0.8
99.00891	1.0
107.05057	1.1
108.02225	0.6
109.02958	9.4
117.03485	0.9
117.27392	0.5
118.99850	5.1
119.05031	11.1
121.03022	1.1
121.06599	1.2
130.04259	1.6
131.05032	8.4
133.02979	2.7
133.06601	7.4
134.03751	0.6
135.04517	1.9
145.02980	7.0
147.03348	0.9
147.04526	17.3
148.04869	0.7
149.06102	5.8
154.05847	0.5
158.03755	2.1
159.04532	6.8
161.02444	3.4
163.03999	1.8
175.03989	4.1
177.02121	2.0
177.05580	100.0
177.27655	0.5
178.05930	7.6
179.06131	0.8
185.02432	1.5
191.03590	0.7
193.04961	0.5
221.04573	1.6
265.03525	9.7
266.03766	0.7
281.04678	0.7
295.06216	1.5
399.07260	0.8
459.15048	1.6
623.19946	0.8
681.20630	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.4
57.03426	1.6
58.00586	2.0
59.01380	32.3
61.98838	3.3
66.04555	1.6
69.03454	1.7
70.21420	1.3
70.49683	1.3
71.01386	27.9
71.61626	2.1
72.99311	4.4
73.02948	3.3
74.18196	1.5
75.00881	2.2
83.01384	3.4
85.02956	5.2
87.00903	3.9
89.02450	22.8
95.01379	2.1
97.02956	4.1
97.53632	1.5
99.00918	2.6
101.02449	18.3
113.02454	9.3
119.03500	5.8
125.02469	8.1
133.05043	1.8
143.03508	3.6
161.04523	3.2
163.68269	1.8
179.05550	4.6
191.26158	1.5
208.17712	1.4
223.13432	2.2
235.08221	11.5
253.09384	2.9
267.23294	80.9
268.23636	5.1
281.24747	1.7
287.07751	3.4
305.08740	2.9
397.13489	100.0
398.13876	11.9
415.14575	28.5
416.14832	1.9
630.36829	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	724.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89277	0.3
59.01388	1.4
60.18608	0.3
61.06796	0.3
61.98832	100.0
62.98544	0.3
71.01373	0.3
72.95615	0.3
74.72176	0.3
82.10316	0.3
96.96004	1.9
98.20644	0.8
197.11832	0.4
229.61211	0.4
263.20200	0.3
309.20853	0.6
374.38934	0.3
417.09503	0.4
523.98090	0.3
533.08093	0.4
588.29236	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30349	0.1
55.60192	0.1
59.01373	0.7
63.99729	0.2
65.03966	0.1
68.04525	0.2
71.01391	0.2
83.46992	0.2
91.01850	0.2
91.05533	0.3
93.03439	0.8
108.02168	0.6
109.02954	23.3
110.03284	0.8
119.05027	100.0
120.05367	3.4
121.02946	0.4
123.04517	0.5
129.03490	0.8
131.05017	0.3
135.04515	0.3
135.92416	0.2
144.76981	0.2
145.02980	0.4
146.03728	0.8
147.04524	7.7
148.04817	0.4
158.03725	0.9
159.04517	36.6
160.04855	2.2
251.07181	0.3
252.07854	0.6
268.07416	0.3
269.08194	13.4
270.08527	1.3
279.60211	0.2
313.07358	0.4
323.11502	0.3
350.48389	0.2
357.06140	1.1
606.52405	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75332	0.2
58.00613	0.4
59.01380	4.3
69.86018	1.4
71.01388	3.2
73.02959	0.7
78.95914	0.3
80.02702	0.7
81.03472	0.9
82.29211	0.3
83.01405	0.6
83.05033	2.8
84.02158	0.5
85.02962	0.8
87.00881	0.8
89.02438	1.7
95.05053	0.5
97.02978	0.4
97.06607	0.3
101.02461	3.2
103.11665	0.3
109.06625	0.4
113.02486	2.1
119.03510	0.5
125.02420	0.3
125.06144	0.3
143.03525	0.4
145.05069	0.6
161.04544	1.3
163.11307	2.8
165.12836	1.6
179.05678	0.5
181.12309	0.4
191.10753	0.5
199.13380	0.5
207.28543	0.3
209.11833	75.4
210.12170	4.6
225.11371	0.6
227.12878	10.8
228.13177	1.1
233.22945	0.3
235.08214	5.4
253.09283	9.3
254.09564	0.4
259.20691	0.4
275.20062	0.4
277.21725	100.0
278.22073	11.4
363.86633	0.3
403.52045	0.2
445.21036	0.5
459.83014	0.3
723.43781	0.4
726.78912	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51787	0.2
51.62293	0.2
56.70002	0.3
59.01391	1.4
61.98835	100.0
75.00919	0.3
76.28632	0.3
96.96037	1.0
107.27102	0.3
159.04584	0.3
161.02356	0.3
163.07571	0.3
197.11830	0.3
209.11926	0.3
245.04517	0.3
337.37979	0.3
341.53046	0.3
477.28864	0.5
724.35962	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.2
58.00608	0.2
59.01381	2.9
60.20995	0.2
66.11266	0.2
71.01381	2.3
72.99348	0.3
73.02950	0.4
75.00892	0.2
80.02671	1.1
81.03462	1.0
83.01369	0.4
83.05032	4.7
84.02177	0.6
84.05327	0.2
85.02968	0.5
87.00883	0.4
89.02455	1.7
95.01417	0.2
95.05051	0.5
97.02960	0.2
101.02451	2.0
109.06621	0.3
111.08189	0.2
113.02460	1.1
119.03526	0.4
125.06113	0.4
135.08162	0.7
143.03496	0.1
161.04611	0.8
163.11299	3.4
164.11610	0.2
165.12813	2.2
179.05676	0.3
181.12344	0.6
191.10789	1.0
199.13341	0.3
207.10248	0.3
209.11829	100.0
210.12170	6.3
210.14189	0.3
224.56430	0.1
225.11270	0.4
226.11615	0.2
227.12891	11.5
228.13251	0.5
235.08244	1.3
253.09288	7.6
254.09654	0.6
275.20309	0.2
277.21719	48.9
278.22070	5.0
279.22977	0.2
318.61404	0.1
408.22452	0.2
445.20700	0.8
463.21567	0.4
468.73654	0.2
723.42596	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35282	0.4
69.83296	2.0
71.01370	0.6
71.64973	0.4
72.79089	0.4
72.99294	0.5
75.00868	1.3
83.01387	1.1
93.03466	21.7
94.03786	0.8
107.05055	1.2
109.02950	0.9
117.03466	1.1
117.21134	0.4
118.99888	3.3
119.05042	9.3
121.02939	1.0
121.06590	0.8
130.04240	1.8
131.05032	7.9
132.05472	0.6
133.06615	7.3
134.06944	0.5
135.04514	0.9
144.08813	0.4
145.02966	6.8
147.04533	14.6
148.04855	0.5
149.06071	4.9
158.03703	2.0
159.04532	7.3
163.04030	1.6
175.04044	2.5
177.05579	100.0
178.05952	5.0
221.04539	1.8
256.04276	0.4
265.03531	10.2
304.90723	0.5
519.21008	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.48616	0.4
59.99850	0.4
62.64897	0.4
63.37563	0.5
69.30785	4.1
71.01402	0.8
72.99313	0.8
75.00867	1.0
83.01395	1.4
93.03459	21.7
94.03820	0.7
98.20662	1.0
107.05018	1.1
109.02942	1.4
111.40694	0.4
117.03461	1.4
118.99870	4.6
119.05041	8.9
121.02912	0.6
121.06606	0.9
130.04256	1.4
131.05032	8.9
133.06601	7.8
135.04524	0.8
145.02960	7.2
146.03328	0.5
147.03348	0.8
147.04526	15.5
148.04884	0.7
149.06100	5.9
158.03743	1.7
159.04547	6.9
161.02477	0.5
163.04019	1.8
175.03995	2.0
177.05577	100.0
178.05911	5.9
187.09671	0.4
221.04565	2.5
236.68077	0.5
263.66492	0.4
265.03522	8.8
266.03830	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.2
58.02983	12.3
59.01377	9.5
61.98836	20.6
69.69548	8.5
69.69972	3.0
69.88339	1.5
71.01378	2.5
72.00896	1.8
74.02482	28.0
74.12824	1.7
75.00880	2.2
75.44110	1.6
76.23698	1.7
78.95870	1.6
81.02225	1.7
81.04575	3.7
82.03002	3.2
86.02489	13.5
86.06091	2.0
87.05643	7.6
89.02476	2.1
96.04518	1.9
96.96014	2.1
97.04071	3.7
99.05640	23.4
100.00415	2.7
101.07188	2.7
102.05605	4.4
109.02906	1.8
109.04083	5.3
109.07695	1.5
111.05633	1.7
112.04049	2.4
118.80864	1.6
123.05654	1.9
123.99903	4.8
125.03574	5.6
127.05146	6.4
128.03542	66.4
135.05634	9.2
137.07234	2.3
141.06721	5.7
143.04628	88.4
145.06186	4.5
146.04602	11.6
153.06671	5.2
155.08270	2.2
160.00780	3.3
166.09885	5.2
167.01706	4.9
167.04573	4.6
167.08235	4.1
170.03302	1.8
171.04147	2.2
177.03387	2.1
179.04636	22.1
181.06183	2.2
181.79697	2.1
185.05585	2.9
192.07712	3.3
197.05644	4.1
210.08774	17.7
213.70607	1.5
243.51414	1.6
254.07826	48.7
255.08144	3.3
272.08881	92.9
273.09183	5.8
288.06705	3.1
306.07666	16.6
593.36096	5.4
634.58875	1.8
704.39758	7.3
705.39154	2.5
722.40570	100.0
723.40997	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.4
56.68005	0.3
59.01379	6.8
69.03462	0.3
71.01385	4.4
71.17085	0.6
71.72050	0.2
73.02956	1.5
80.02664	0.3
81.03475	1.4
83.01402	0.7
83.05018	1.7
85.02950	1.8
87.00876	1.4
89.02444	2.3
95.05011	0.4
97.02962	4.7
97.06609	0.3
99.00892	1.2
101.02456	4.9
106.04270	0.4
107.05052	0.5
109.06595	14.4
110.03746	0.6
110.06946	0.6
113.02454	1.9
119.03510	0.7
121.06650	1.3
123.04500	0.5
125.02530	0.4
126.29023	0.2
127.07732	0.3
133.05048	0.3
135.08195	2.1
136.05299	1.3
142.02719	1.8
143.03470	0.3
145.05060	1.1
151.07693	0.3
161.04561	1.6
161.09721	1.1
163.11290	10.1
164.11790	0.2
165.09276	0.3
179.05533	0.4
179.10818	0.7
181.12366	1.5
189.09224	2.1
207.10263	54.7
208.10600	3.5
209.11873	0.8
225.11325	16.4
226.11690	1.2
233.22755	0.4
235.08231	5.1
236.08983	0.3
243.12413	0.5
253.09293	9.6
254.09683	0.6
259.20694	0.4
263.12616	0.3
275.20148	0.5
277.21722	100.0
278.22058	9.1
281.13934	0.4
299.15018	0.7
423.32654	0.3
441.33511	0.9
443.19257	2.9
453.74567	0.3
461.20343	4.1
462.21323	0.3
467.31665	0.6
477.90091	0.3
485.32584	0.4
513.30609	0.4
529.39673	0.3
537.31195	0.3
559.36389	0.5
703.40594	0.5
721.41705	22.7
722.42151	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27151	0.3
57.03466	0.5
59.01382	12.3
66.70429	0.4
69.03454	0.6
71.01385	6.2
71.51783	0.4
72.99327	0.4
73.02959	1.2
80.02696	1.0
81.03442	2.3
83.01382	0.7
83.05030	3.3
85.02950	2.3
87.00906	1.0
89.02442	4.0
93.03474	0.4
95.01403	0.5
95.05058	0.4
97.02954	5.8
97.06581	0.6
99.00889	1.4
101.02462	5.3
103.40346	0.4
106.04255	0.5
107.05049	0.9
109.06596	35.1
110.03761	1.2
110.06956	1.3
111.04576	0.4
113.02457	2.6
119.03501	0.9
121.06580	2.6
125.09740	0.5
133.05106	0.5
135.08170	3.7
136.05309	1.1
141.51598	0.4
142.02751	1.8
145.10228	0.7
161.04572	1.5
161.09738	2.6
163.11293	19.3
164.11581	0.9
165.09244	0.7
179.05618	0.8
179.10800	0.8
181.12335	4.1
189.09221	3.5
207.10266	100.0
208.10652	5.9
209.11813	1.6
221.12013	0.5
225.11317	34.8
226.11597	2.5
233.22682	0.7
235.08182	2.9
243.12468	0.4
253.09286	14.0
254.09645	0.6
275.20251	0.4
277.21725	71.4
278.22083	7.3
281.13837	1.2
297.55780	0.4
299.14941	1.5
423.32651	0.5
441.33740	1.2
443.19278	5.3
444.19650	0.8
461.20316	12.1
462.20767	1.3
467.31689	0.6
485.32709	0.9
703.40631	0.7
721.41626	31.1
722.42157	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	721.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01997	2.5
53.95433	2.5
59.01381	53.6
61.98831	13.9
70.75106	6.9
71.01385	30.3
73.02943	6.5
83.01417	3.1
84.36351	2.3
85.02950	5.3
87.00896	4.5
89.02452	25.6
95.01378	2.6
97.02949	2.8
98.20574	3.0
99.97167	2.3
101.02432	24.3
106.19756	2.7
113.02477	13.1
115.08881	2.7
119.03497	6.7
125.02434	10.1
140.83157	2.6
143.03510	5.6
152.99530	2.6
161.04536	7.2
173.39923	3.3
179.05573	6.5
218.77750	2.7
223.13425	9.6
235.05852	3.8
235.08197	11.6
253.09312	3.3
261.14853	2.7
263.17386	5.5
263.20139	71.1
264.20465	9.3
287.07758	3.3
305.08795	3.7
397.13495	100.0
398.13620	10.3
415.14569	35.9
495.87250	2.8
664.19586	2.7
754.64801	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	721.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96489	1.4
58.00602	1.7
59.01384	47.4
61.98834	6.7
66.69096	1.4
69.03463	1.7
69.35462	3.4
69.35870	10.7
69.60772	1.6
71.01385	29.2
72.99300	3.5
73.02954	4.1
75.00883	1.8
81.38966	1.4
83.01383	3.4
85.02956	6.5
87.00886	5.5
89.02444	30.4
95.01391	1.6
97.02930	3.9
98.20574	2.6
99.00922	1.9
101.02442	24.7
113.02448	12.8
119.03501	10.2
125.02434	11.1
143.03510	5.2
161.04535	5.1
179.05606	6.5
180.37587	1.5
185.38342	1.4
195.10201	2.8
221.06718	2.0
228.45575	1.4
235.08186	13.5
253.09293	4.5
256.72372	1.5
261.15219	1.5
263.20157	69.2
264.20438	6.8
273.86914	1.3
287.07620	3.0
289.18130	4.3
305.08774	3.0
312.83731	1.3
323.09680	2.0
397.13522	100.0
398.13843	10.1
415.14566	35.2
416.15045	4.4
455.99271	1.4
459.71863	1.5
661.34845	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47622	0.3
55.01868	0.3
56.32897	0.3
57.03454	0.3
58.00624	0.3
59.01387	5.0
61.69358	0.3
61.98848	0.8
69.03446	1.5
71.01389	3.5
71.05035	0.6
71.60963	0.4
73.02956	1.0
74.13602	0.3
76.14897	0.3
79.67184	0.3
83.01388	0.6
83.05045	0.6
85.02960	0.6
87.00893	0.9
89.02439	2.1
95.05037	0.5
101.02444	2.7
102.67454	0.3
111.33659	0.3
113.02435	1.9
114.65701	0.3
119.03476	0.5
127.07664	0.4
130.55147	0.4
141.09258	0.4
145.05078	1.0
161.04568	1.2
167.10780	1.9
168.11084	0.3
177.12849	0.6
179.05649	0.7
179.10822	0.7
179.14394	2.3
179.15793	0.4
195.13902	7.2
196.14122	0.3
197.11772	1.5
205.12341	8.1
206.12619	0.4
215.77142	0.3
223.13399	75.6
224.13725	5.0
235.08229	4.9
243.08521	0.3
253.09293	10.1
254.09665	0.5
275.20303	0.6
277.21725	100.0
278.22064	9.7
303.23303	0.7
441.21106	1.8
442.21332	0.4
459.22302	4.7
460.22690	0.6
513.30762	0.8
719.44568	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.2
61.98835	100.0
62.98530	0.2
70.37285	0.5
77.02929	0.1
78.95909	0.1
105.27108	0.1
183.53255	0.1
203.77077	0.1
255.41476	0.1
336.74628	0.1
613.94952	0.1
637.32233	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.4
61.98835	100.0
62.99265	0.1
69.32766	1.2
71.01379	0.2
73.21460	0.2
77.77581	0.1
78.20226	0.1
78.33359	0.1
86.66846	0.1
96.79955	0.1
98.20714	0.1
110.21165	0.1
186.73949	0.1
324.77005	0.1
470.84839	0.1
521.31219	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	5.5
70.90291	7.7
71.01394	4.2
89.02462	7.2
92.90347	2.7
109.67658	2.9
113.02454	3.1
119.03495	5.2
164.95398	2.9
179.05623	7.4
191.42668	3.1
215.03287	5.3
285.05460	2.9
341.07001	4.5
341.10855	25.6
377.08588	100.0
378.08899	9.1
435.83356	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	719.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	7.9
60.11322	0.9
61.26671	0.9
61.98825	2.1
69.28284	1.0
69.41292	5.2
69.41705	2.4
71.01383	6.2
71.05025	1.3
72.02168	4.0
73.02951	3.3
75.00895	1.9
78.95903	1.2
82.89354	1.0
85.02959	3.2
85.06599	1.7
87.00891	1.1
89.02448	6.2
95.05028	1.2
96.96018	12.7
97.06610	3.2
99.04529	1.2
101.02454	1.5
103.99661	1.1
109.02955	2.1
111.04571	0.9
113.02461	2.7
113.06075	1.5
123.08179	14.5
125.06136	1.6
125.09744	5.9
127.11337	1.5
135.08192	1.1
137.09720	1.8
139.04030	1.9
141.09241	13.4
145.02931	1.8
153.09225	2.0
155.10773	1.9
161.02472	1.1
167.07133	3.9
171.10271	10.4
185.08147	1.6
185.11823	1.9
200.10603	0.9
201.11319	1.0
290.15909	1.0
325.20035	1.4
327.21753	23.1
328.22235	1.2
435.27618	5.9
435.32486	1.1
436.27859	1.2
448.16034	1.0
451.31055	4.8
453.28552	13.0
454.29068	2.4
469.31778	100.0
470.32233	12.2
477.28687	2.4
495.29663	85.4
496.30029	13.0
511.32645	1.2
513.30762	41.4
514.31238	5.9
537.30548	3.5
657.35126	8.0
675.36029	11.3
676.24237	1.3
676.35864	2.1
719.35956	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	716.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54402	0.2
58.08357	0.2
59.01391	1.1
61.98835	100.0
71.61627	0.4
73.11482	0.2
75.00881	0.2
78.95929	0.3
93.75861	0.2
96.86993	0.2
148.21107	0.3
164.69574	0.2
209.09160	0.2
397.13400	0.3
426.11334	0.3
456.71002	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75178	0.1
58.44476	0.1
59.01383	1.2
61.98833	100.0
62.37576	0.1
62.98553	0.2
75.33501	0.1
98.19824	0.3
110.10812	0.1
137.42725	0.1
157.10373	0.2
211.13461	0.4
212.13846	0.3
216.13454	0.2
223.13545	0.3
224.13741	0.3
225.14030	0.2
528.11041	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51976	0.1
59.01390	0.2
61.98833	100.0
62.98526	0.2
70.03750	0.1
98.19804	0.2
101.02415	0.1
110.90714	0.1
152.23994	0.1
255.23300	0.2
256.23737	0.1
397.13843	0.1
399.14136	0.3
400.14221	0.1
417.15491	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	716.371
Annotation	Unknow
Peak:m/z	Relative Intensity
59.21352	0.2
61.98833	100.0
62.09070	0.2
67.28008	0.2
70.91523	0.2
70.91866	0.2
80.42029	0.2
83.74677	0.2
94.39970	0.2
98.20202	0.3
138.53854	0.2
141.82768	0.2
145.49989	0.2
206.08403	0.2
212.19431	0.2
255.23271	0.2
263.45410	0.2
335.36829	0.2
399.13916	0.2
634.85229	0.2
742.67041	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.6
61.98822	2.0
66.48690	0.7
66.70095	0.8
69.03459	4.3
71.01379	4.9
71.05023	1.3
71.19276	0.7
72.99348	0.8
85.02961	1.4
89.02470	1.7
95.01401	1.2
97.02935	0.8
98.19833	1.6
101.02438	3.4
113.02480	1.7
119.03504	0.9
123.08144	1.6
125.09711	2.2
151.11285	2.1
161.04503	0.8
161.09708	4.5
175.15637	0.7
179.10822	6.2
183.54698	0.8
197.11833	36.1
198.12175	2.5
210.97386	0.8
241.10785	1.1
253.09282	2.5
255.23297	76.9
256.23642	6.7
275.96487	0.9
477.19748	1.7
587.89636	0.9
715.42761	100.0
716.43121	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	715.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16529	9.8
55.88609	9.4
58.05962	9.7
59.01400	17.6
61.98839	60.9
65.57013	11.4
69.64365	9.4
70.84486	22.4
71.01392	11.5
74.59405	11.7
75.00875	11.0
78.64359	9.9
78.95917	22.9
79.86695	10.5
79.90053	12.0
89.02428	14.2
101.02428	10.7
116.92824	15.6
171.10255	15.6
186.32285	10.6
197.03810	11.2
259.41104	12.7
281.24857	45.5
299.49261	14.9
397.13470	100.0
398.13870	13.2
415.14423	21.0
679.39233	15.9
715.36816	51.5
716.37701	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	715.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.2
61.98830	1.4
64.15503	1.0
71.01372	1.4
71.61590	1.3
71.77917	0.9
73.02943	4.8
75.00879	1.9
85.48837	1.0
87.00893	1.5
93.03505	1.0
96.95971	1.0
97.06587	9.8
100.00426	2.1
111.04453	1.1
113.09740	2.1
114.45189	1.0
119.05069	4.8
121.03013	1.3
121.80496	0.9
123.08162	1.9
124.05492	1.1
125.02435	1.5
135.04460	1.7
139.07660	12.7
141.09232	39.9
142.06604	1.4
142.09535	2.0
145.02950	2.7
150.06856	4.8
157.08722	28.3
161.02423	3.2
163.07649	2.5
179.10777	2.5
185.08176	4.7
203.09273	100.0
204.09590	4.5
229.06190	2.9
236.77351	1.1
243.07796	6.6
260.10864	1.3
267.15857	1.3
304.20541	2.6
311.96274	1.1
348.19385	1.5
349.11829	2.0
349.20074	1.8
365.11398	6.5
366.20703	5.3
367.21268	8.5
443.08005	1.3
529.26556	21.7
530.26764	3.8
671.36285	1.5
697.33997	1.6
715.35510	54.2
716.35938	15.4
723.60309	1.1
724.92285	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.5
60.89380	0.2
61.98834	100.0
62.79967	0.2
70.97346	0.2
71.01350	0.2
82.22791	0.2
91.62199	0.2
101.02465	0.3
112.90274	0.2
224.40982	0.2
242.07576	0.2
254.22154	0.2
269.11771	0.3
288.41858	0.3
349.84494	0.2
397.13782	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06289	5.4
53.58041	5.3
59.01388	63.7
61.98835	100.0
71.01393	31.9
71.62255	7.0
72.99304	6.8
73.02950	15.7
75.00861	10.3
83.52923	6.0
85.02962	12.9
89.02456	11.2
96.96014	28.2
97.02978	7.3
97.06558	6.7
101.02437	18.7
109.06586	23.9
113.02444	8.6
125.09731	7.9
135.08173	13.0
139.07666	6.7
150.06764	5.9
157.08705	7.7
163.11246	11.1
165.05597	15.5
166.05890	5.5
171.10281	16.0
201.11337	10.8
207.10278	50.6
211.13443	40.7
225.11398	39.0
235.13379	28.4
253.09248	17.1
313.23688	7.0
401.23386	13.3
407.22437	13.0
423.27643	16.1
425.23218	26.6
461.20129	11.0
467.25812	9.2
467.34537	10.0
476.27490	7.5
493.28000	9.0
495.32825	6.1
571.52911	6.7
637.32043	25.8
643.31152	22.9
655.33130	8.3
661.32037	96.8
662.32385	23.6
671.40540	11.9
679.33380	39.0
680.33203	9.3
715.30780	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	713.4743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72111	0.4
52.33413	0.4
59.01384	0.8
59.29824	0.4
61.31038	0.4
69.27957	3.7
71.01402	0.6
75.00887	2.4
89.02424	0.5
109.02950	0.4
119.05049	1.6
135.04515	0.6
145.02930	1.5
147.04541	0.6
161.02487	0.7
163.04074	0.6
168.05743	0.4
177.05566	1.4
241.13524	2.2
255.02882	0.8
284.03174	0.5
285.04095	0.4
285.12491	1.7
299.28421	0.4
300.02499	0.7
301.03424	1.0
389.17847	0.5
431.09549	0.6
431.15866	0.7
447.09314	1.6
545.17181	0.5
611.30225	0.6
669.29993	0.9
677.49921	3.9
678.49597	0.6
713.47375	100.0
714.47723	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	714.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99925	0.4
58.35844	0.4
61.98835	100.0
69.33981	0.4
72.99339	0.4
75.00880	2.1
80.27146	0.4
88.98851	0.6
161.02515	0.5
211.13513	0.6
409.45291	0.4
688.13342	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	5.1
61.98833	25.6
64.02460	1.1
68.77010	1.1
71.01386	1.5
79.35913	1.1
89.02447	1.4
104.50560	1.3
104.51332	1.2
114.39053	1.0
115.75508	1.3
127.01492	1.1
127.70145	1.3
158.70245	1.3
161.40817	1.1
161.65800	1.2
167.14439	2.6
181.15976	4.2
185.11787	2.0
211.13347	4.1
218.90683	1.1
229.14505	2.3
229.16701	1.3
233.18990	5.9
247.20636	6.0
249.18678	1.2
251.20184	2.5
260.25409	1.4
267.19800	1.5
277.18091	11.9
277.20929	1.8
291.19601	11.5
295.19119	10.8
297.17145	1.9
309.20682	10.7
311.18616	1.5
346.62805	1.2
369.22705	5.9
383.24377	7.6
399.32428	1.4
415.35754	5.1
441.33731	2.8
459.34503	8.0
460.35364	1.5
477.35983	18.2
478.36057	2.3
489.92657	1.3
551.39496	1.2
577.37219	1.5
595.38525	6.2
669.42212	100.0
670.42676	20.6
713.40375	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	713.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20340	1.0
57.03440	1.6
59.01375	5.3
61.98834	10.9
69.29346	1.0
71.01385	1.1
71.61574	0.9
75.00878	1.4
78.95905	1.1
87.00935	1.1
88.56579	1.0
92.73112	0.8
96.96031	1.4
109.06720	0.8
124.81127	1.1
125.41978	1.0
151.38310	1.1
167.14426	3.7
181.15959	2.6
185.11792	1.7
207.17406	1.2
211.13406	3.1
223.13358	1.4
225.14986	2.2
229.14497	1.8
233.19135	6.4
247.20738	7.8
259.17035	2.2
265.21646	1.7
277.18042	10.6
291.19620	13.7
292.19925	1.6
295.19180	8.8
297.17142	2.5
309.20706	14.1
310.21185	1.5
311.18661	1.7
315.69699	1.2
369.22849	6.4
383.24271	6.7
384.24832	1.3
399.32745	1.8
415.35843	3.6
441.33701	2.9
459.34866	8.7
460.35492	1.2
477.35800	16.4
478.36243	3.6
531.55841	1.2
551.39404	1.9
577.37292	2.8
595.38336	5.2
596.38849	1.3
607.87842	1.2
669.42194	100.0
670.42535	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	713.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	72.3
61.98832	37.8
69.86108	4.4
70.48935	13.9
71.01381	16.5
73.02959	6.3
74.28201	3.8
79.04891	4.4
79.82584	3.3
85.02962	6.2
87.00880	19.9
96.96004	5.8
101.02446	14.2
125.02444	4.4
125.09693	3.6
136.05254	9.3
137.06065	6.6
150.06883	37.0
151.07614	13.6
163.06190	8.1
163.07642	21.3
165.05537	6.8
177.05632	4.6
179.10721	6.4
188.54390	4.4
209.11908	6.5
285.24121	4.3
285.32785	4.2
327.21213	4.7
341.46585	3.9
347.72537	3.9
388.29788	6.4
403.32364	9.6
419.31445	9.2
447.26965	6.2
465.27466	6.5
465.32394	14.6
491.30212	13.3
495.24316	5.0
507.33551	5.5
583.38794	4.8
609.36456	9.4
627.36774	7.3
669.38629	100.0
670.39307	21.4
670.90070	5.2
713.38165	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	713.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92847	1.0
55.01844	1.2
57.03440	1.6
58.00604	2.6
59.01094	1.6
59.01382	26.6
61.98840	5.4
61.99152	1.1
69.03457	2.3
69.51990	3.2
69.52411	6.4
71.01388	30.6
72.99297	3.2
73.02948	6.9
75.00862	1.4
81.03452	2.8
83.01398	3.6
85.02946	11.2
87.00887	20.6
88.56688	1.2
89.02444	22.7
95.01376	3.5
97.02954	6.4
97.55530	1.0
99.00898	2.8
101.02453	33.4
102.02790	1.3
109.02977	1.6
113.02464	18.9
119.03481	6.1
125.02451	14.8
131.03488	1.8
134.37306	1.1
143.03485	6.4
149.04622	1.1
161.04572	5.8
168.43028	1.4
171.10239	4.2
178.75449	1.1
179.05592	5.2
194.81705	1.0
224.63208	1.3
225.11282	2.0
235.08257	14.2
245.06850	1.3
251.20084	2.6
253.09282	8.5
255.23308	100.0
256.23636	7.9
269.24850	3.1
287.07785	6.7
305.08768	5.1
323.09903	2.1
397.13501	91.2
398.13937	9.4
415.14584	51.5
416.14825	3.2
454.41614	1.1
554.19043	1.4
653.37317	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	713.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93866	0.9
58.00587	1.8
59.01382	21.9
61.98845	1.2
66.49827	0.8
69.28694	8.4
71.01387	22.9
72.99307	1.4
73.02952	12.6
75.00874	35.2
78.14453	0.9
79.62132	0.9
83.01408	2.0
85.02953	3.3
87.00872	1.4
88.98814	1.0
89.02448	31.6
93.03461	1.8
97.02974	1.7
98.20641	1.8
99.00883	32.3
101.02445	11.9
109.02953	2.8
113.02459	4.5
118.30138	0.9
119.03573	1.0
119.05021	13.8
120.05283	1.5
125.02418	2.8
131.03499	3.9
134.06143	1.3
135.04506	2.8
141.01872	1.3
145.02960	1.7
147.08167	36.5
148.08441	1.1
149.04556	3.5
149.76819	1.0
151.00333	0.9
153.09247	2.2
161.02411	2.4
161.04568	2.5
163.04031	12.5
166.08887	1.0
177.05600	3.0
191.05629	5.3
211.09779	1.1
214.83612	0.8
220.24338	1.0
227.03564	1.0
231.91438	1.0
250.72543	1.0
255.02992	2.3
271.02542	0.9
279.83472	1.1
284.03259	1.5
285.04071	8.8
286.04462	1.7
294.84155	1.0
299.16483	2.0
300.02719	1.3
301.03461	1.6
301.18100	24.3
302.18411	2.0
349.57617	1.1
359.18491	1.0
389.34842	0.9
419.18661	1.4
431.09943	1.2
447.09314	3.8
465.08264	2.3
477.19827	1.4
521.18634	1.5
528.17255	1.1
611.27069	59.2
612.27484	9.5
614.25043	1.2
669.27649	100.0
670.28058	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	713.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61106	1.2
51.79820	1.1
55.38631	1.1
59.01384	31.4
60.49908	1.1
69.89408	6.6
71.01379	24.3
71.33417	1.2
72.99323	6.6
73.02953	7.6
75.00880	55.1
80.36631	1.2
83.01385	2.5
85.02937	4.5
87.00878	2.3
89.02455	31.7
93.03452	2.5
95.01376	1.6
97.02969	2.5
98.20575	2.3
99.00894	16.6
99.04530	8.3
99.33591	1.3
99.92614	3.9
100.92608	1.3
101.02458	14.0
109.02931	1.9
113.02440	7.4
116.92875	23.7
117.03517	1.4
117.92867	10.5
118.92664	8.6
118.99873	9.5
119.03493	4.9
119.05023	10.2
120.05370	1.3
125.02427	2.3
131.03493	3.4
132.05812	3.5
133.06557	1.3
135.04494	1.8
145.02956	11.5
149.04546	5.1
157.05063	1.8
161.02420	1.4
163.04012	5.2
177.04189	1.2
177.05522	6.0
191.05623	4.3
199.11256	2.9
201.12776	3.7
216.01495	1.1
217.12306	7.9
221.04556	4.2
226.11116	5.2
241.13499	27.5
242.13805	2.3
285.03860	1.8
285.12485	24.1
286.12726	2.1
299.13788	2.4
301.03607	1.9
301.18063	4.9
327.13495	2.6
379.17673	3.9
447.17859	2.4
507.17618	1.8
511.21805	7.3
593.26129	3.2
611.27197	34.1
612.27478	6.2
644.50861	1.5
669.27692	100.0
670.28101	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	713.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66224	0.5
59.01390	0.8
63.61758	0.5
71.01386	0.7
72.99304	0.8
74.05564	0.4
75.00874	36.2
76.01200	0.7
84.53189	0.4
93.03451	4.9
100.02962	0.5
109.02917	0.6
113.02435	1.1
117.03465	5.1
118.99885	0.6
119.05034	14.2
120.05347	1.1
126.27119	0.5
131.05017	1.8
133.06601	1.4
135.04462	0.6
145.02957	31.8
146.03310	1.2
147.04526	2.5
149.06131	0.8
159.04478	1.2
163.04015	16.5
164.04373	0.7
171.09329	0.6
175.04080	0.6
177.05576	20.8
200.81454	0.5
204.27029	0.6
213.07976	1.8
221.04538	12.3
222.04739	0.7
226.11110	12.3
227.09460	0.8
227.11479	1.1
228.10318	6.0
241.13457	100.0
242.13768	7.0
250.99644	0.5
253.13533	0.9
255.02936	1.1
263.05490	0.5
265.03513	1.7
269.13156	0.6
281.12933	0.9
284.03198	1.3
285.12448	65.9
286.12772	5.1
299.14001	9.3
300.02771	0.7
301.03366	0.6
327.13495	10.5
328.13879	1.1
357.14279	0.6
387.16910	3.4
389.89481	0.5
431.16074	16.2
432.16434	2.1
447.09488	3.7
447.17734	10.9
448.17816	1.6
449.17056	3.1
507.17786	8.9
508.18079	1.4
561.89832	0.5
593.20618	0.5
611.22180	4.1
612.22809	1.0
669.22791	8.0
670.23224	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	713.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	0.6
71.38126	0.8
75.00896	1.1
83.01402	1.4
87.11076	0.4
88.94281	0.4
93.03465	22.6
94.03784	0.6
107.05056	1.3
109.02996	0.5
117.03439	1.0
118.99891	3.6
119.05037	9.9
121.02937	1.5
121.06609	1.1
130.04237	1.2
131.05038	8.0
132.05829	0.6
133.06613	7.2
135.04561	1.4
140.65573	0.5
145.02962	8.1
147.04535	14.4
148.04842	0.6
149.06099	5.4
151.00331	0.5
158.03754	1.4
159.04523	6.6
163.04012	3.8
175.04007	2.5
175.70764	0.4
177.05580	100.0
178.05923	5.8
221.04558	2.7
226.11113	1.6
241.13460	11.7
242.13766	0.6
255.02936	1.0
265.03583	6.5
271.02530	1.7
285.12427	8.1
286.12823	1.4
299.14011	1.2
300.02802	3.5
301.03369	2.4
327.13501	1.4
394.39139	0.4
447.09384	5.8
447.17670	1.5
448.09570	0.6
507.17786	0.8
669.23193	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31040	0.9
54.72041	0.8
59.01389	6.8
71.01388	4.5
72.99298	1.6
73.02930	1.8
75.00886	12.2
89.02438	4.8
93.03462	21.7
93.04008	1.9
99.00896	2.4
101.02448	3.2
109.02972	2.6
113.02414	1.5
116.92867	2.1
117.92883	1.3
118.99859	3.4
119.03532	1.0
119.05026	9.4
121.02938	2.0
121.06553	1.2
125.02450	1.3
130.04240	1.5
131.05026	7.8
133.06578	4.5
135.04546	2.0
145.02934	6.5
147.04523	15.4
149.06079	5.4
153.01996	2.0
158.03708	1.7
159.04527	7.7
161.02441	2.1
163.04007	2.6
175.04005	3.1
177.05585	100.0
178.05946	5.3
191.05487	1.1
217.12335	1.8
221.04489	1.5
241.13441	2.8
255.02853	1.4
265.03595	5.6
267.06793	1.1
284.03354	2.1
285.04239	1.4
285.12482	2.0
300.02643	2.2
301.03546	2.3
369.39304	1.1
428.10333	1.0
447.09360	4.4
448.09366	1.2
611.17853	1.6
611.26813	7.0
669.27789	17.7
670.27991	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	713.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71341	0.9
57.03444	1.2
59.01384	7.3
61.98827	1.9
63.02411	5.1
65.00340	7.1
69.53799	6.7
71.01392	5.8
72.99345	1.0
73.02941	2.5
75.00879	10.3
83.01395	7.5
85.02960	1.3
88.98807	1.6
89.02466	5.0
93.03468	2.5
96.96039	1.9
99.00874	4.2
101.02446	2.6
105.64801	0.9
107.01398	15.4
109.02980	5.0
119.05038	2.8
121.02983	1.2
125.02462	2.3
130.04141	1.1
131.03462	1.3
131.05032	1.0
133.02983	1.7
137.02461	2.0
137.41299	0.9
145.02971	3.9
147.04573	1.3
147.08191	4.1
149.06096	1.4
151.00395	49.4
152.00868	1.5
159.04480	1.7
161.02454	5.7
163.00323	1.0
163.04031	2.1
165.01924	1.3
169.01434	5.1
177.02000	1.6
177.05612	7.5
178.02634	1.6
178.99881	48.0
180.00220	1.6
185.06070	1.1
191.03540	1.4
193.01425	4.7
193.05055	1.8
195.04497	1.7
198.03244	1.1
199.04019	1.1
201.01903	1.9
203.03429	1.4
205.01433	1.7
211.03989	5.9
213.05504	4.6
215.03458	2.3
219.03069	4.7
223.03966	2.4
224.04770	0.9
227.03516	5.7
229.05048	6.4
233.00783	1.1
235.04025	1.5
239.03499	15.0
240.04100	3.4
241.04977	8.2
241.13600	1.4
251.03540	3.0
253.05083	2.4
255.02979	3.5
263.03513	2.3
263.07047	1.4
267.02997	16.8
269.04498	1.5
271.02432	2.4
279.02917	1.5
281.04468	1.5
284.03296	2.8
285.03989	8.3
286.04501	1.2
293.01062	1.1
295.02649	2.2
297.04068	1.8
300.02753	2.1
301.03369	1.7
307.02390	1.3
329.04489	1.8
345.03836	1.5
346.04630	1.2
349.74628	1.1
357.04135	1.7
365.06619	1.5
373.03452	1.2
375.05069	15.1
385.03522	2.0
391.04739	1.2
393.06204	8.6
401.03003	9.8
402.03433	1.5
403.04694	10.7
415.04468	1.2
419.04141	9.3
420.04401	1.5
421.05621	13.6
422.06195	2.5
429.02582	9.1
431.09781	2.3
447.03659	11.4
447.09488	2.2
448.03665	1.2
463.32602	1.7
464.32983	3.2
464.98083	1.2
465.04648	24.0
466.04843	2.4
477.04303	1.6
479.06281	3.1
489.27518	1.2
505.04477	1.2
513.23383	1.2
523.05194	100.0
524.05554	16.2
565.06470	2.1
593.09521	2.4
607.11047	2.5
611.10376	1.8
611.27020	5.4
612.27899	1.4
625.11707	2.6
669.11188	12.7
669.27356	8.1
670.11475	2.7
685.89624	1.0
713.35278	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	7.6
61.98819	4.4
63.47867	1.3
69.03448	3.1
69.30280	1.6
71.01379	4.3
71.05043	2.0
71.54125	1.7
71.61214	1.7
72.99313	2.1
81.68809	1.4
89.02447	4.1
98.04503	1.6
101.02457	5.1
116.92850	2.4
125.09694	2.2
143.07129	2.8
151.05273	1.6
151.11327	1.7
153.12837	1.7
159.04480	1.7
161.09720	2.5
171.10278	5.1
179.10806	7.8
197.11836	87.3
198.12137	5.3
235.08109	1.7
241.10733	3.8
251.20180	24.9
252.20589	1.8
253.09247	5.5
277.21689	7.7
331.90015	1.4
368.61807	1.5
413.93564	1.6
477.19846	3.6
509.78131	1.4
711.39569	100.0
712.40106	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	711.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.2
57.03438	1.3
58.00582	1.1
59.01092	1.5
59.01385	23.9
61.46006	0.8
61.98830	2.4
69.03446	2.0
70.64639	0.9
71.01382	25.8
71.61037	1.4
72.99308	2.7
73.02956	3.1
81.03480	1.9
83.01385	2.8
85.02953	4.8
87.00897	4.9
89.02451	21.5
95.01398	1.6
97.02956	3.7
98.70201	0.9
99.00893	2.2
101.02441	19.8
109.02914	1.3
113.02458	9.6
119.03500	6.5
125.02450	8.2
131.03505	1.9
134.00778	1.0
141.31140	1.0
143.03500	3.1
161.04541	5.3
179.05644	5.2
179.14328	1.8
183.10342	1.3
195.13884	4.6
205.12280	5.4
211.13379	3.6
221.06740	1.9
223.13387	49.2
224.13750	3.1
225.11121	1.3
235.08223	10.8
253.09271	5.7
253.21738	47.0
254.22046	4.3
263.07697	1.3
277.21725	20.1
278.22049	1.9
287.07712	4.1
305.08774	3.9
323.09872	1.5
397.13486	100.0
398.13788	9.8
415.14508	28.6
416.14868	1.8
459.22244	8.4
530.11627	1.1
542.61298	1.1
647.34448	1.1
675.35999	2.9
711.33240	15.4
712.33899	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	711.381
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01106	2.3
59.01383	34.1
61.98826	6.3
62.31305	1.4
70.67105	1.4
71.01390	24.4
72.99313	1.9
73.02946	5.6
78.95919	1.6
81.03455	1.7
82.84976	1.5
83.01381	3.3
85.02951	6.2
87.00914	7.4
87.01356	1.5
89.02448	26.3
94.69659	1.6
95.01387	1.5
97.02957	6.0
99.00855	2.4
101.02456	22.0
113.02465	9.2
116.92875	1.9
119.03503	8.2
125.02454	10.7
131.03548	1.8
133.05038	3.0
143.03465	3.2
161.04514	5.8
165.05551	1.8
171.10237	6.9
179.05600	3.7
187.37740	2.3
211.13390	2.6
221.06590	2.0
225.11386	3.6
235.08211	10.7
249.18521	6.8
253.09248	3.6
253.21724	97.9
254.21956	7.2
287.07712	3.1
293.21405	1.9
305.08804	4.2
397.13507	100.0
398.13876	8.1
402.99057	1.6
415.14548	34.5
416.14740	2.5
651.35730	4.9
711.42853	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	711.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.5
58.00589	1.8
59.01381	33.5
61.98819	5.0
69.03471	2.3
70.05093	4.2
70.05484	5.0
71.01387	27.9
73.02951	5.7
78.95926	2.6
83.01379	2.3
85.02957	6.0
87.00886	5.6
89.02453	27.0
95.01389	2.6
97.02952	4.3
98.19931	2.7
99.00891	2.9
101.02453	20.9
111.04509	2.1
113.02464	14.2
119.03477	7.7
125.02438	7.0
137.06042	2.7
142.23404	1.7
143.03481	2.9
161.04599	4.2
165.05540	4.4
171.10271	31.8
179.05598	7.4
207.10240	4.0
216.10486	1.5
225.11348	12.3
235.08195	8.9
236.35692	1.7
249.18591	18.9
250.18605	2.0
250.77475	1.6
253.09370	4.1
253.21730	81.5
254.22064	6.8
270.85651	1.8
277.21747	5.2
287.07764	3.4
305.08688	4.3
310.78482	2.0
397.13498	100.0
398.13831	9.7
399.96509	2.1
415.14590	30.5
416.14667	2.7
461.19989	2.8
651.36096	3.6
711.34064	5.7
712.34552	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	711.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00593	2.6
58.83064	1.2
59.01092	2.2
59.01381	35.3
61.98832	4.9
67.89211	1.2
69.03439	2.2
69.31743	2.0
69.32143	11.4
71.01387	27.5
72.99323	3.1
73.02947	4.9
75.00898	1.9
78.95939	1.6
83.01392	3.2
85.02974	6.6
87.00871	4.9
89.02449	28.0
90.11289	1.3
91.28580	1.2
95.01370	2.1
97.02962	4.4
98.42717	1.6
99.00891	1.6
101.02440	23.3
113.02445	12.2
117.54179	1.2
119.03519	7.0
125.02454	9.0
137.73587	1.3
143.03476	5.1
161.04578	3.5
165.05836	1.4
171.10315	8.6
175.99910	1.2
179.05626	3.8
184.42299	1.3
203.96404	1.3
207.10266	2.7
221.06561	1.8
225.11319	5.3
235.08257	12.6
249.18668	7.4
253.09109	3.4
253.21735	81.4
254.21997	7.7
287.07681	4.3
305.08807	4.4
397.13510	100.0
398.13904	8.6
415.14566	30.9
416.14841	2.4
496.74179	1.5
651.36047	5.9
711.42462	2.0
730.17499	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81102	0.3
53.37430	0.3
54.86546	0.3
59.01370	1.5
61.98833	100.0
71.01408	0.5
71.61752	0.3
75.00900	0.3
143.05016	0.5
159.04520	0.7
160.04854	0.4
161.02461	0.8
183.45952	0.3
201.05576	0.4
209.12030	0.3
221.51213	0.3
229.05072	0.4
245.04639	0.6
291.19815	0.6
388.22345	0.5
434.33481	0.3
479.26242	0.5
480.27063	1.0
567.35181	0.3
640.05212	0.3
648.81885	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32292	0.4
52.95863	0.4
55.01877	0.5
65.37540	0.4
65.77191	0.4
69.94397	0.4
70.09240	2.1
70.78547	0.4
71.01376	0.7
72.40556	0.4
73.82671	0.4
80.30468	0.4
83.01392	1.0
93.03465	21.8
94.03817	0.7
102.09281	0.4
107.05059	0.8
117.03511	0.6
118.99887	3.5
119.04221	0.8
119.05039	10.1
121.02964	1.0
121.06602	1.2
130.04254	2.1
131.05046	7.8
133.06613	6.8
135.04558	0.7
145.02979	4.7
147.04536	13.7
148.04910	0.9
149.06099	5.7
158.03722	1.6
159.04521	7.3
163.03990	1.3
175.04047	1.5
177.05588	100.0
178.05931	6.5
184.51669	0.5
194.01102	0.5
199.52460	0.5
221.04535	0.8
228.11850	0.5
265.03571	7.3
269.57559	0.4
407.63171	0.5
718.21729	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68373	0.2
59.01381	1.3
59.65405	0.2
60.74567	0.2
61.98833	100.0
71.01388	0.4
78.34095	0.2
98.19900	0.5
101.02428	0.4
110.47070	0.2
148.87747	0.2
160.04654	0.2
211.13518	0.2
213.66768	0.2
437.63156	0.2
522.04871	0.2
711.39246	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.1
59.01387	7.4
61.98835	6.9
62.63016	0.9
65.83437	1.4
69.75543	5.1
71.01368	3.6
73.02943	1.3
78.95918	2.0
80.96514	1.4
81.03471	1.3
83.01396	1.3
83.05024	1.7
85.02941	1.8
87.00896	2.1
89.02433	2.0
92.25399	1.0
95.05038	2.4
97.06602	7.9
101.02462	5.8
113.02430	2.8
133.10156	1.2
149.09778	1.1
151.11282	20.3
152.11617	1.0
152.99612	2.1
159.56256	1.0
161.04558	1.2
169.12341	57.2
170.12703	3.2
195.10226	4.0
209.11809	1.3
213.11368	9.5
235.08229	2.4
253.09265	3.9
277.21729	61.2
278.22028	6.8
327.75327	1.0
399.31482	1.3
431.19135	2.3
449.20325	3.4
709.41705	100.0
710.41949	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	709.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.1
57.03443	1.6
59.01382	6.7
61.98837	5.1
62.47628	0.7
68.07200	0.9
68.42387	0.9
71.01379	5.3
73.02940	1.8
75.00860	0.9
75.76512	0.8
76.61362	0.8
78.95921	1.6
80.96536	0.9
83.01425	1.2
83.05058	1.1
83.19330	0.9
83.35557	0.8
84.08434	0.9
85.02956	1.7
89.02443	3.6
97.06589	3.7
101.02438	4.5
101.34783	0.9
113.02441	2.3
118.55721	0.8
119.03526	1.4
143.03476	1.2
151.11290	16.0
152.99590	2.0
169.12349	100.0
170.12677	6.3
195.10298	2.4
209.11816	2.1
213.11357	12.0
228.11861	0.9
235.08209	1.4
253.09293	3.3
255.23251	1.3
277.21704	29.9
278.21957	2.6
431.19284	3.0
449.20233	9.4
450.20261	1.0
547.35760	1.0
709.41699	95.9
710.42151	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	709.381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.6
57.03449	0.8
59.01380	8.3
61.70383	0.5
61.98823	1.7
69.03455	4.1
69.60661	3.9
70.89812	0.6
71.01386	5.1
71.05019	2.5
73.02946	1.0
75.00880	0.9
83.01414	0.6
83.05032	0.7
85.02961	1.6
89.02467	3.1
97.06584	1.2
98.20513	1.1
101.02456	4.3
113.02455	1.8
119.03452	0.7
123.08156	1.0
125.09731	1.8
137.09708	0.7
151.11253	1.7
153.12814	1.9
161.04704	1.0
161.09747	2.6
179.10770	6.9
197.11835	90.0
198.12173	6.0
221.09950	0.6
223.09773	1.4
235.08104	0.8
241.10817	4.7
244.16632	0.6
249.18587	21.6
250.18930	2.2
253.09283	3.1
277.21677	1.1
323.25803	0.8
459.18820	1.4
460.58551	0.6
477.20297	2.8
499.11649	0.6
508.45383	0.6
665.45648	1.0
709.38062	100.0
710.38477	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41834	1.0
54.45732	0.8
57.03440	3.4
59.01378	7.6
61.56921	0.9
61.98826	3.6
64.45308	0.9
70.22954	4.0
71.01384	5.1
78.95898	1.2
80.96555	1.1
83.05051	1.3
85.02950	2.0
89.02443	4.2
95.05035	1.8
97.06594	15.1
101.02447	3.7
101.81136	0.9
113.02460	1.7
123.08173	8.2
125.09733	100.0
126.10043	4.2
145.20587	1.0
151.11327	1.7
152.99554	2.1
161.04555	1.5
169.08704	2.6
169.12331	4.0
179.05608	1.3
187.09763	74.5
188.10089	3.4
200.38625	1.1
201.11342	1.8
211.09834	1.1
213.11284	1.8
217.25726	1.1
253.09277	2.6
255.03024	1.4
261.13361	1.9
277.21710	8.5
303.23267	7.1
331.06946	1.0
405.17569	7.4
423.18716	23.8
424.18863	1.9
709.41779	87.6
710.42108	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	709.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	1.7
58.36360	1.7
58.64169	1.6
59.01387	48.0
61.98838	4.3
71.01390	28.8
71.19069	3.3
72.99310	2.6
73.02933	4.6
75.00890	1.9
83.01390	2.3
85.02958	6.8
87.00890	5.7
88.98810	1.7
89.02460	27.6
92.93315	1.6
97.02952	5.6
101.02453	19.9
109.43755	1.6
113.02450	9.6
119.03490	8.4
125.02480	9.5
127.07649	2.6
143.03439	2.6
161.04529	5.0
179.05624	5.3
207.10127	3.3
235.08353	10.1
251.20178	88.8
252.20580	6.7
253.09315	4.0
265.18289	2.3
289.06555	1.7
305.08707	4.2
358.64474	1.8
397.13486	100.0
398.13907	7.2
415.14587	31.8
416.14865	1.9
461.20667	1.8
535.39624	1.8
605.18982	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	709.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	1.5
59.01095	2.3
59.01385	38.4
61.98837	3.1
69.03465	4.2
69.54593	4.7
69.55012	4.4
71.01389	26.5
72.99305	3.7
73.02947	4.6
79.46858	1.2
81.03546	1.5
83.01414	3.3
85.02960	7.2
87.00897	6.6
89.02457	26.8
93.60615	1.3
96.03139	1.4
97.02950	5.3
99.00898	2.0
101.02448	24.0
109.06570	1.8
113.02438	13.4
119.03519	7.8
125.02459	8.7
143.03479	4.7
161.04529	7.4
179.05637	4.8
189.09267	2.9
205.12315	1.5
207.10213	2.4
209.11809	3.0
221.06744	2.5
223.13434	15.9
235.08231	13.3
251.20157	93.0
252.20490	8.3
253.09282	4.8
255.04974	1.4
263.07709	1.3
271.06293	1.3
287.07700	3.3
305.08865	3.2
379.12833	1.6
397.13492	100.0
398.13788	8.2
415.14581	37.6
416.15103	2.8
447.85446	1.4
649.34875	2.2
657.95264	1.4
709.34894	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.3
66.74425	0.3
71.01388	9.3
71.01996	0.4
71.40522	0.4
71.40852	0.5
75.00879	7.3
81.30829	0.4
85.02950	0.7
89.02464	0.5
93.03471	2.4
101.02427	0.5
103.04024	0.6
103.74316	0.3
108.02174	2.7
109.02959	6.7
117.03490	0.5
119.05040	1.4
121.02955	2.2
122.03743	1.1
123.04529	1.0
125.02447	0.9
129.01956	3.2
133.02945	0.6
135.04538	1.1
137.37541	0.4
145.02930	0.8
147.04588	0.4
161.02470	2.6
163.06192	0.4
171.04526	1.2
171.08118	0.6
177.05634	0.7
180.05823	0.4
181.06628	0.5
185.06151	2.0
197.06053	0.5
199.07660	1.0
208.05359	0.7
209.06079	1.3
210.06885	2.2
211.07562	0.8
221.06126	1.2
222.06715	0.4
225.05588	1.2
226.06364	13.7
226.91206	0.3
227.07143	100.0
228.07494	7.8
238.06195	0.6
239.07137	3.7
253.08737	1.3
255.10277	22.3
256.10571	1.2
279.03372	0.4
281.08221	5.9
299.09195	2.7
313.10806	0.8
357.09824	5.9
358.10193	0.6
535.18195	11.3
536.18481	1.8
589.19293	3.6
590.20062	0.6
607.20251	6.4
608.20679	1.3
665.20917	18.8
666.21344	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	707.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58901	0.5
53.66966	0.6
55.01885	0.8
57.03452	0.9
58.00592	0.6
59.01095	1.4
59.01383	23.4
61.98835	19.2
67.89597	0.6
69.03477	0.9
69.94321	2.9
71.01389	19.6
72.99319	2.3
73.02946	3.1
75.00874	1.9
78.91885	0.7
81.03452	0.9
83.01387	2.0
85.02943	4.5
87.00877	3.0
88.98828	0.9
89.02451	17.8
91.04070	0.6
95.01400	1.1
96.96008	2.4
97.02961	1.5
97.06590	1.4
98.20524	1.1
99.00892	1.5
101.02444	13.3
109.02984	1.0
111.00926	0.6
111.08176	2.1
113.02451	6.1
113.09734	1.5
115.00425	0.7
115.07623	1.1
119.03513	5.8
119.04994	0.8
122.08704	0.6
125.02441	4.1
131.03488	0.8
141.01923	0.9
141.09195	1.3
143.03520	1.9
151.11311	0.7
155.08586	0.6
161.04575	2.9
163.06073	0.7
165.12856	2.2
167.14407	1.3
179.05595	3.5
181.12350	1.6
183.13934	0.7
185.04628	0.8
193.12312	1.0
195.13919	1.4
197.11807	8.1
199.13596	0.8
211.13411	4.1
221.06650	0.8
221.15535	1.7
235.08264	3.6
247.20659	3.6
253.09235	1.4
254.08441	0.7
263.07675	0.9
263.20227	0.8
265.21823	0.8
273.18600	2.3
281.21164	1.5
291.19681	29.0
292.20020	2.9
309.20728	100.0
310.21042	10.7
313.23743	1.1
397.13510	21.0
398.13931	2.1
415.14606	17.8
416.14941	2.4
485.30679	0.8
551.27985	1.1
647.37958	1.7
707.35016	14.5
708.35059	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	707.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	3.1
59.68143	0.6
61.98831	1.9
69.62198	4.1
71.01378	2.4
77.64819	0.6
78.95902	2.3
85.02931	0.6
89.02464	1.2
101.02456	2.9
113.02444	1.2
135.27534	0.7
152.99588	2.1
161.04604	1.1
183.13892	6.9
193.12299	1.8
211.13387	100.0
212.13737	5.2
225.11304	0.8
235.08260	2.0
245.22015	0.7
253.09370	5.8
277.21722	54.3
278.22049	5.2
429.21310	1.2
447.22046	4.5
448.22766	0.8
453.15289	2.3
668.95557	0.7
689.36932	1.4
707.37457	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74958	1.5
52.07100	1.8
52.74492	1.5
55.87227	1.6
59.01376	6.4
61.98821	3.3
71.17175	2.3
99.84630	1.7
125.09745	3.0
127.39277	1.6
136.10776	1.7
142.58521	1.5
183.04607	2.7
187.09763	3.3
194.91205	1.7
211.03983	3.6
211.13304	4.5
227.03520	88.0
228.03873	6.1
255.02998	100.0
256.03580	14.5
275.98340	1.7
277.21655	5.0
284.03265	59.7
285.03925	19.9
327.05173	2.0
525.60663	1.8
565.98346	1.8
707.30682	98.9
708.31024	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	707.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00605	2.0
59.01097	2.1
59.01384	36.0
61.98554	1.2
61.98838	8.1
69.03457	2.1
71.01391	29.7
72.99301	4.0
73.02952	3.7
75.00872	1.6
80.91691	2.5
81.03456	2.2
83.01409	3.4
83.05029	1.3
85.02977	6.6
85.14996	1.2
87.00887	7.4
89.02446	28.4
95.01404	2.4
96.96001	2.7
97.02995	6.2
99.00851	1.6
101.02452	24.6
111.04563	1.8
113.01759	1.9
113.02459	11.8
119.03532	7.5
125.02450	9.1
131.03549	1.5
132.35793	1.2
133.05084	1.4
143.03496	4.5
159.37817	1.2
160.36163	1.1
161.04553	3.5
179.05676	5.9
221.06625	2.6
222.11699	1.1
235.08243	12.7
249.18594	66.3
250.18907	5.2
253.09232	4.4
277.09290	1.5
287.07742	4.1
305.08734	5.4
323.09839	1.2
330.27017	1.3
397.13513	100.0
398.13800	8.6
415.14618	32.9
416.14935	2.0
647.32745	1.7
707.37756	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.8
57.03444	1.3
57.61143	0.7
58.00585	1.2
59.01387	27.1
61.98835	16.5
63.55217	0.7
69.03467	1.0
71.01391	18.1
72.99312	2.3
73.02950	3.4
75.00883	2.3
78.91888	0.7
83.01401	1.9
85.02966	4.1
86.22718	0.6
87.00880	3.9
89.02457	18.3
95.01412	1.7
96.96029	2.8
97.02957	2.6
97.06605	1.8
99.00875	0.7
99.92673	0.7
101.02448	14.1
102.16323	0.6
111.08200	1.1
113.02454	6.9
113.09743	2.6
115.00385	0.9
115.07662	0.7
116.92885	1.0
119.03526	4.9
121.02886	0.6
125.02459	3.8
131.03566	0.9
139.03958	0.9
141.01933	1.0
141.09213	1.1
143.03513	2.5
161.04567	3.0
163.06047	0.9
165.12868	2.5
167.10829	1.2
167.14441	1.2
179.05624	3.7
181.12346	2.5
193.12331	1.2
195.13805	1.5
197.11855	6.3
209.12045	0.7
211.13495	3.7
213.15045	0.7
221.06589	1.3
221.15486	1.7
221.56870	0.6
235.08269	3.0
241.14537	0.8
247.20560	3.5
253.09264	1.2
263.07849	0.8
263.20276	1.1
264.17468	0.8
273.18610	1.8
281.21338	1.0
291.19672	29.6
291.22949	1.4
292.19977	2.3
309.20737	100.0
310.21155	12.1
310.24576	0.6
323.09918	0.7
343.65482	0.7
397.13531	19.8
398.14014	2.0
415.14594	20.0
415.19754	1.4
416.15366	1.5
509.31195	0.7
564.92712	0.7
647.37799	2.6
707.34821	14.2
708.35449	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	707.115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85233	0.1
52.86724	0.1
58.01944	0.1
59.01374	0.1
71.61869	0.2
75.00877	0.4
79.95737	3.1
86.71039	0.1
96.96013	100.0
97.95950	0.3
121.02948	0.2
125.02486	0.2
133.03035	0.1
138.01985	0.4
145.02968	0.2
148.78796	0.1
151.00319	0.1
161.02490	0.4
178.99937	0.2
179.06963	0.1
182.68039	0.2
237.03796	0.2
243.02879	0.2
255.03032	0.6
270.99985	0.1
271.02545	0.6
286.18002	0.1
300.02762	2.0
301.03427	1.0
569.93243	0.2
609.14630	2.9
610.15015	0.5
624.80414	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	7.3
59.01093	5.0
59.01382	71.2
61.98834	75.6
68.62701	3.5
69.29960	37.2
71.01382	32.5
72.02168	4.5
72.99318	8.0
73.02956	16.5
75.00879	9.0
78.40184	3.6
83.01376	5.6
85.02962	15.0
88.98808	4.5
89.02437	21.3
95.04997	3.2
95.63799	3.6
95.65223	3.2
96.96023	16.9
97.06629	4.2
101.02448	22.1
103.41653	3.3
112.31932	3.3
113.02455	15.9
113.06122	5.5
113.34416	3.4
119.03516	5.1
123.08169	17.1
131.03473	6.5
141.09203	27.2
145.02904	6.0
151.11313	4.2
161.04591	7.7
167.07149	5.4
187.09631	4.4
197.11783	6.1
201.11317	8.4
247.07988	3.5
247.17012	4.6
253.09277	6.9
313.23834	30.6
316.57352	3.5
355.24927	5.6
383.24417	4.9
419.31479	5.7
421.29782	4.3
437.32675	10.2
439.30649	12.1
455.33890	100.0
456.33984	12.8
457.28107	5.3
475.29788	4.3
481.31735	53.1
482.32147	11.3
497.34726	5.5
499.32706	38.0
523.33228	4.3
617.39050	14.3
643.37012	13.0
645.36316	7.1
661.38806	17.8
687.32281	11.6
705.38330	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	704.35
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76881	0.2
59.01378	0.8
61.98834	100.0
62.98536	0.2
63.61269	0.2
66.73518	0.2
78.95914	0.2
89.02432	0.2
96.58500	0.2
101.81979	0.2
144.92033	0.2
208.21156	0.2
211.13463	0.6
223.13469	0.2
397.02130	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78379	0.6
55.01861	1.5
57.03432	1.2
57.37820	0.7
58.00598	0.7
59.01380	8.4
60.39787	0.6
61.28886	0.7
61.98833	6.3
69.96571	3.2
71.01387	4.6
71.05012	2.5
72.99323	1.3
73.02946	1.7
75.00885	1.3
83.01374	1.2
85.02924	1.3
87.00865	1.5
89.02463	3.2
96.96008	1.2
97.02936	2.2
97.06575	2.9
99.00887	28.2
101.02454	3.7
109.06591	0.9
113.02448	2.2
113.06007	0.6
119.03465	1.4
119.55807	0.9
123.08165	5.0
125.09724	7.8
135.08159	0.8
136.05354	0.9
145.02948	0.7
163.11281	7.0
167.07137	1.8
181.12350	14.3
197.11736	1.0
199.13420	5.9
201.11142	0.8
207.10265	35.1
208.10684	1.9
225.11324	54.2
226.11691	3.1
227.12808	0.7
243.12364	36.8
244.12666	2.5
253.09370	0.9
259.83646	0.7
317.16229	1.6
455.33417	1.0
461.20117	1.4
479.21365	9.8
501.33200	0.7
543.28107	1.1
661.35815	0.8
687.31683	1.1
705.33405	100.0
706.33704	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	704.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59597	0.1
59.01381	3.2
59.11723	0.1
61.98831	100.0
62.98514	0.2
69.31440	1.1
69.31848	0.3
75.00856	0.2
80.96516	0.2
89.02416	0.3
101.02433	0.2
116.80296	0.1
127.96075	0.1
139.72073	0.1
161.04582	0.2
269.24738	0.2
295.65338	0.2
296.58243	0.1
397.13596	0.7
415.14499	0.2
483.15048	0.3
484.08932	0.2
484.15637	0.6
498.16858	0.2
500.18613	0.2
519.77606	0.2
543.16968	0.3
557.18976	0.7
558.19092	1.3
574.16107	0.2
575.15961	0.4
644.23120	0.9
703.25177	0.2
703.36835	0.2
704.24225	2.7
704.36737	0.3
705.24115	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83191	1.0
55.01880	3.0
57.03443	2.3
58.00587	3.0
59.01381	48.6
59.19269	1.0
61.98835	43.9
63.95509	0.9
64.18645	1.0
66.13820	1.0
69.03456	1.6
71.00996	2.2
71.01388	43.1
71.61322	1.3
72.99317	3.9
73.02959	7.5
75.00879	1.4
76.22952	1.0
83.01389	7.0
85.02959	16.1
87.00882	5.4
89.02449	31.2
91.04023	1.3
95.01402	3.5
96.35140	1.0
99.00903	2.0
101.02448	37.7
102.45280	1.0
113.02459	16.8
116.52456	1.0
119.03512	8.0
125.02456	1.8
126.07236	0.9
128.30302	0.9
131.03490	1.9
143.03481	3.8
150.94147	1.1
161.04564	9.5
175.92798	1.2
179.05623	6.8
197.11819	6.3
209.11804	3.6
213.90628	1.3
223.13448	1.1
253.09280	16.1
330.51205	1.2
438.43387	1.1
449.28729	1.2
495.61011	1.2
541.33795	15.0
542.34045	2.3
683.07996	1.2
703.39056	100.0
704.39355	20.0
724.59619	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.7
57.03440	2.9
58.00587	3.5
59.01383	86.1
60.84457	1.6
61.98841	23.7
69.03460	2.0
71.01384	67.7
71.19817	2.0
72.99306	6.7
73.02575	1.3
73.02942	10.0
75.00857	3.2
83.01405	10.0
83.01817	1.5
85.02950	17.8
87.00885	9.5
89.02447	71.1
95.01388	6.3
97.02922	2.0
99.00888	2.7
101.02446	64.2
113.02447	33.7
119.03498	24.6
125.02429	3.8
131.03487	2.4
131.80475	1.5
135.37547	1.6
135.39047	1.8
143.03503	6.3
149.04420	2.9
161.04573	19.0
169.35463	1.9
175.41414	1.7
179.05655	12.7
197.11594	2.9
253.09300	64.7
254.09605	2.7
274.90359	1.6
385.92935	1.9
399.64996	1.9
415.14404	2.2
424.23959	1.8
541.33441	9.3
703.39056	100.0
704.39355	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	703.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	12.4
61.98524	6.4
61.98834	100.0
63.51609	2.7
70.13074	10.0
71.01366	8.3
75.00851	5.9
76.49931	3.3
76.92223	3.0
78.95894	3.0
89.02465	3.4
101.02512	3.0
179.05725	3.2
207.10312	6.6
223.13397	10.4
225.11238	4.8
253.09303	4.7
260.04437	3.1
385.97421	3.1
446.34836	2.8
461.20441	4.2
649.32269	11.3
667.33429	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	703.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.5
57.03446	2.2
58.00591	2.8
59.01381	44.4
59.59175	1.3
61.97723	0.9
61.98833	15.7
62.73989	1.2
69.03448	1.4
71.01388	41.2
71.62009	1.7
72.99307	4.5
73.02956	7.6
75.00877	2.1
83.01395	6.1
85.02971	11.9
85.99204	1.1
87.00893	6.7
88.98794	3.6
89.02445	26.1
95.01392	4.3
99.00906	2.7
101.02456	34.6
113.02454	18.3
116.92834	1.4
119.03487	6.8
125.02476	1.6
141.53700	1.3
141.89340	1.3
143.03537	1.7
147.54616	1.4
161.04572	10.2
161.81538	1.2
177.03740	1.3
179.05588	3.2
187.09773	1.6
197.11867	1.6
205.76361	1.1
215.19756	1.2
253.09264	12.6
541.33966	13.8
542.34064	1.7
643.34930	2.5
703.39093	100.0
704.39374	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	702.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.4
61.98834	100.0
64.34002	0.1
66.86871	0.2
75.00894	0.1
77.54913	0.1
79.40543	0.1
98.20654	0.3
108.57735	0.1
126.06073	0.1
163.90248	0.1
197.11812	0.8
198.12114	0.6
199.12489	0.2
204.08025	0.1
223.13492	0.4
224.13782	0.4
229.22012	0.1
447.51071	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	702.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54375	0.2
50.88800	0.2
54.46646	0.2
56.32898	0.2
56.85653	0.2
59.01385	1.1
61.71147	0.2
61.98833	100.0
65.98738	0.2
71.01387	0.7
85.02976	0.4
89.02464	0.6
101.01826	0.2
101.02469	0.9
113.02476	0.2
125.02441	0.2
138.86504	0.2
149.19478	0.2
229.14233	0.2
235.08470	0.3
303.23596	0.5
304.23816	0.6
383.66150	0.2
397.13712	0.8
398.14056	0.5
416.15189	0.4
428.71939	0.2
459.21994	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11600	1.4
55.65311	1.5
57.03457	7.6
58.26566	1.6
59.01381	1.7
61.98840	30.8
70.15387	6.8
78.95909	1.7
81.03432	2.2
83.01354	2.8
88.72893	1.5
107.03691	1.8
109.17780	1.8
125.02452	24.4
160.83417	1.6
167.14380	2.8
182.82213	1.9
191.14444	3.1
200.19431	1.6
207.17511	3.2
220.61278	1.6
221.19193	5.0
231.17535	1.8
233.15480	5.6
245.19063	3.5
247.17143	2.5
263.20276	2.1
273.18649	2.5
275.16479	6.9
277.21814	1.7
281.21326	2.5
287.20129	1.7
289.18195	4.0
291.19714	2.5
305.21268	2.2
307.19119	2.1
309.89194	1.8
312.73257	1.6
349.20480	2.3
423.23880	4.2
497.36575	2.5
521.36200	1.9
524.22552	2.0
575.36389	2.7
657.40234	10.0
701.39069	100.0
702.39325	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	701.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.7
59.01388	2.9
61.84199	0.5
61.98843	1.1
66.03480	0.5
71.01373	1.0
71.41482	0.8
72.99326	0.8
73.02956	1.3
75.00875	1.9
77.09636	0.5
77.10096	0.5
85.02969	1.0
87.00889	1.0
87.04453	0.5
87.55327	0.5
89.02463	1.3
92.13295	0.5
94.26695	0.5
96.96036	0.6
97.06575	1.3
99.04541	0.6
99.71759	0.6
101.02451	1.4
103.00367	1.3
109.02950	0.6
109.06599	1.1
113.02444	0.8
123.04446	0.6
123.08172	0.6
127.07681	0.6
135.08090	0.9
136.05293	0.8
137.09686	0.6
139.07687	1.0
145.95728	0.6
147.04579	0.6
148.05278	0.9
149.06087	1.3
150.06868	16.7
151.07364	0.7
152.04799	1.2
157.31694	0.5
158.69736	0.5
162.06868	1.7
163.06314	0.6
163.07654	8.8
164.08437	3.2
165.05528	1.6
165.09184	0.7
173.08151	4.7
176.08415	1.0
177.09233	1.3
178.10008	0.6
179.10791	10.1
180.11134	0.9
203.09270	1.4
215.09201	1.2
217.10796	1.0
245.10231	4.0
320.19839	0.6
329.19751	1.9
335.22284	1.3
357.22739	1.8
359.20804	1.2
364.22379	0.7
419.49152	0.5
427.28674	0.7
457.29257	1.0
476.31583	1.7
491.30130	0.7
492.30869	2.2
493.31506	1.9
495.29977	1.5
508.30585	1.4
509.31311	7.5
538.31628	4.1
539.32343	8.4
540.32605	1.6
625.69788	0.6
657.35522	2.0
671.36938	0.7
701.37549	100.0
702.37970	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.3
71.01384	2.5
71.61617	0.9
73.02956	1.0
75.00889	3.0
85.02964	0.7
87.00862	1.1
89.02459	0.8
97.06583	0.8
101.02445	1.5
103.00352	1.1
111.04534	0.7
119.03532	1.1
119.05031	0.7
128.30836	0.6
135.08241	0.8
136.05272	0.9
139.07692	0.8
145.02953	1.5
145.05032	0.9
147.04518	1.0
149.06073	1.2
150.06873	17.8
151.07361	0.9
161.02477	0.9
162.06804	1.0
163.06238	1.1
163.07617	8.6
164.08472	3.3
173.08243	3.0
177.05632	0.8
177.09209	0.8
179.10777	10.3
180.11107	0.8
187.09717	0.8
203.09178	0.7
217.10698	1.1
245.10242	3.5
315.18109	1.3
315.21640	1.0
320.19986	0.8
327.21652	1.0
329.19724	1.8
335.22339	1.6
357.22864	2.0
359.20819	1.2
364.22598	1.1
457.29413	1.1
476.31436	0.7
491.30188	0.9
492.30859	2.1
493.31647	2.0
494.32797	0.8
508.30289	1.8
509.31058	6.7
510.31610	1.1
538.31427	4.1
539.32245	6.6
657.39404	3.2
701.37537	100.0
702.37909	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	701.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87465	0.4
59.01382	5.9
61.90776	0.5
61.98817	0.8
62.97344	0.4
64.62717	0.5
69.03463	0.7
71.01379	1.5
75.00868	1.2
78.95910	0.4
89.02443	0.9
101.02448	1.6
105.03649	0.4
107.61532	0.4
113.02455	0.4
144.53465	0.5
161.04506	0.6
167.14409	1.0
170.91328	0.4
179.05589	0.4
183.13914	6.2
184.14264	0.4
193.12379	1.3
197.00598	0.4
211.13405	100.0
212.13777	5.9
235.08299	1.6
253.09299	3.2
303.88980	0.4
356.52457	0.5
387.25662	0.7
429.21408	1.1
447.22360	7.7
448.22806	1.2
579.84692	0.4
623.34503	1.3
641.35217	0.7
669.54846	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16154	0.5
57.03450	1.8
58.00597	0.5
59.01377	1.3
69.53079	0.8
69.53480	2.8
71.01378	0.7
71.05000	0.6
73.02962	0.6
75.00881	1.9
82.84312	0.5
83.05035	1.7
85.02962	0.5
87.00867	1.4
87.04520	0.8
88.98802	0.9
91.05557	0.9
93.03506	1.1
95.05017	0.7
97.06596	3.2
98.19906	0.9
99.04558	2.0
107.05054	1.4
109.06599	17.1
111.04559	3.9
111.08170	1.3
113.09762	0.9
119.84185	0.4
121.06577	0.6
123.08159	7.0
125.06064	1.2
125.09715	2.0
127.07690	0.9
133.06601	0.6
135.08171	17.0
136.08513	0.5
137.45593	0.4
138.06879	8.5
141.09209	1.3
149.06073	0.7
150.06877	7.5
151.07640	1.1
153.09218	36.5
154.09560	0.8
156.07365	0.4
157.08681	0.8
163.07632	5.5
164.08324	0.7
177.09221	0.6
179.10779	2.9
181.08781	0.6
187.09775	3.6
199.09816	0.5
207.27451	0.5
217.10809	100.0
218.11137	4.7
255.03203	0.5
285.04053	0.7
306.18484	1.9
320.19910	7.8
321.20663	4.8
332.27817	0.4
351.21942	1.0
439.28665	0.7
503.30560	0.5
520.30115	1.1
521.20709	0.6
521.31018	3.4
522.31262	0.6
539.32141	1.2
683.36365	9.5
684.36969	1.4
701.37549	81.7
702.37921	15.8
713.41144	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75334	0.4
52.00455	0.4
52.67188	0.4
52.78358	0.4
55.01859	1.7
57.03437	1.1
58.00598	2.2
59.01384	43.2
59.82602	0.4
60.01712	0.6
61.98820	1.1
68.99790	0.5
69.03452	2.3
69.34162	3.5
71.01386	34.2
71.65421	0.4
72.99314	3.4
73.02954	5.6
73.47226	0.4
75.00874	1.1
78.95888	0.7
81.03450	2.4
83.01393	6.0
83.05037	0.9
85.02960	7.9
87.00382	0.7
87.00883	10.5
89.02450	36.2
89.23841	0.5
90.02761	0.6
91.04005	0.5
93.03426	0.5
95.01408	2.6
97.02951	4.9
98.20496	1.5
99.00867	1.9
99.04479	0.6
101.02451	30.9
103.00352	0.7
109.02922	0.9
111.04510	1.1
113.02457	14.8
119.03510	11.0
119.04986	0.4
125.02459	11.5
127.04025	0.7
131.03474	1.5
133.05081	1.2
139.03995	0.5
141.01906	0.7
143.03506	6.9
149.04538	0.9
152.99525	0.5
157.32622	0.5
161.04575	9.1
179.05624	7.9
180.05948	0.6
185.04619	0.7
199.06137	1.0
203.05589	0.6
205.19641	1.3
217.07149	0.9
221.06679	2.4
235.08237	14.5
245.06683	1.2
253.09274	5.0
259.24255	4.4
263.07672	1.5
277.09082	1.1
287.07828	3.6
303.23297	100.0
304.23645	10.3
305.08832	3.3
323.09885	1.6
379.12451	1.1
381.47537	0.5
397.13519	66.4
398.13861	5.7
415.14572	34.7
416.14780	2.4
451.50574	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12729	0.3
54.34371	0.4
55.01880	1.6
57.03439	1.5
58.00595	2.0
59.01383	44.3
60.01728	0.4
66.94626	0.3
67.01905	0.3
68.99804	0.4
69.03455	2.0
71.01386	36.7
72.01699	0.5
72.99309	2.8
73.02948	5.7
73.99651	0.3
75.00876	1.0
81.03464	1.7
83.01397	4.6
83.05042	0.8
85.02444	0.6
85.02951	7.5
86.00091	0.7
87.00883	9.7
89.02450	35.3
90.02744	0.5
91.04009	0.6
95.01411	2.5
95.05087	0.3
97.02955	5.6
99.00883	2.2
99.04521	0.5
101.02450	31.6
102.02805	0.5
103.00380	0.3
109.02972	0.9
111.00867	0.5
111.04559	1.1
112.01705	0.3
113.02457	15.2
115.03999	0.5
116.00533	0.3
119.03513	11.3
121.02965	0.9
123.00867	0.3
123.04501	0.3
124.01624	0.4
125.02452	12.7
126.02800	0.5
127.04002	0.4
131.03499	1.9
133.05063	0.8
139.04033	1.2
141.01909	0.8
143.03494	5.6
149.04564	1.5
161.04555	7.2
167.03549	0.6
169.05048	0.5
179.05615	7.7
181.05145	0.4
185.04541	0.6
199.06001	0.5
203.05624	0.3
205.19604	1.2
217.07225	1.0
219.04964	0.5
221.06688	2.2
222.06905	0.4
235.08224	12.7
236.08554	0.6
245.06619	0.7
253.09293	5.4
259.24307	5.3
263.07712	1.6
277.09222	0.8
285.22198	0.6
287.07751	3.0
303.23294	100.0
304.23654	9.8
305.08868	3.8
323.09851	1.8
361.11127	0.4
379.12247	1.1
397.13504	70.6
398.13803	5.7
415.14584	36.5
415.20401	0.6
416.15021	2.6
452.27429	0.4
665.15442	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	701.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96900	2.2
59.01382	10.8
61.98825	9.4
67.19366	2.2
70.47937	2.2
71.01379	3.4
80.43260	1.8
85.02953	2.0
89.02445	1.9
96.96037	2.1
101.02425	2.8
104.69984	2.3
177.46330	2.0
180.63393	2.4
183.13885	8.1
191.37979	2.0
203.12714	2.0
204.04443	2.0
211.13412	100.0
212.13737	4.5
253.09248	3.7
280.66522	2.4
311.44556	2.2
317.56412	2.1
356.61124	2.1
447.22403	13.1
532.16589	2.4
623.34290	3.5
657.41779	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	701.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.44449	0.7
61.98828	3.6
67.48243	0.7
69.32827	6.9
78.95920	1.1
105.93576	0.7
110.39936	0.8
127.68240	0.8
195.14069	0.8
218.42868	1.0
236.55859	0.9
270.57767	0.8
306.24606	0.9
336.17209	0.8
340.51578	0.8
354.58826	0.8
438.13229	4.9
439.73630	0.8
451.14163	1.2
452.15045	1.6
455.09619	1.3
467.13452	1.2
470.12790	1.1
480.14700	1.6
481.15192	30.9
482.15607	8.1
495.16721	12.1
496.17184	3.9
497.07642	0.9
497.18488	6.4
498.17877	1.1
514.15259	3.3
525.14130	1.2
539.15912	2.6
540.16272	9.2
541.17023	1.6
554.18262	2.6
555.18866	64.7
556.19019	12.2
567.18988	1.6
572.15527	18.6
573.15576	4.4
586.17053	9.0
587.17255	1.1
609.19696	1.8
628.21460	1.4
641.22528	30.1
642.22772	8.7
701.24658	69.8
702.24994	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	701.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	8.7
61.98851	1.6
71.01411	3.0
71.17215	1.4
72.99306	0.9
73.02970	3.0
75.00902	1.4
83.01394	0.7
83.05035	0.7
85.02997	1.9
85.06607	0.7
87.00878	23.2
87.04575	1.3
89.02485	2.8
92.83326	0.8
95.01503	0.7
95.84387	0.7
96.96026	1.3
97.06613	1.6
99.04536	0.6
101.02477	2.7
109.06612	0.8
112.01698	1.9
113.02465	3.6
113.06095	1.5
118.96255	0.7
119.03529	1.2
123.08195	4.0
125.02466	3.4
125.09725	5.0
137.06012	0.8
137.09784	0.8
139.04100	0.9
141.09254	1.0
143.10809	0.8
145.03067	1.0
151.04123	0.9
153.09261	1.3
155.10840	1.3
163.06213	1.5
165.05730	0.9
167.07108	1.0
171.10280	10.4
190.02162	0.7
201.11440	1.7
307.19376	1.7
307.22772	1.1
325.23819	25.5
326.24106	3.2
327.21918	2.5
351.21896	1.3
373.06805	0.7
379.28732	1.2
407.28073	0.9
433.29706	4.2
435.27628	2.8
449.29434	0.8
451.30997	100.0
452.31250	15.1
453.28595	4.0
459.27466	0.9
465.32581	1.9
469.28287	2.2
477.28619	19.7
478.29257	3.2
479.30438	1.3
493.32312	4.2
495.29611	17.2
496.30350	2.6
497.30054	0.8
519.30206	1.6
521.31226	1.1
537.31305	1.4
538.30768	0.8
539.29352	0.9
657.35010	19.4
657.45410	1.2
658.35840	3.0
701.36603	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	700.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59082	0.2
55.45868	0.2
59.01393	0.2
61.98834	100.0
90.89744	0.2
92.94494	0.2
100.16097	0.2
102.74641	0.2
171.10246	0.2
489.14590	0.2
612.04694	0.2
622.32263	0.2
718.77301	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
70.38203	0.4
98.19955	0.2
114.61200	0.2
116.61427	0.1
177.09203	0.2
195.10269	0.3
196.10730	0.2
223.13492	0.5
224.13814	0.5
293.62494	0.2
414.98254	0.2
595.19995	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63301	0.9
59.01387	5.1
61.98834	5.8
64.54945	1.0
71.01376	1.0
73.02943	1.3
78.95919	1.0
81.03518	1.4
91.04021	1.3
113.02471	1.3
123.76003	1.0
125.02457	2.0
163.49800	1.1
167.14436	3.5
171.10266	2.6
177.05504	1.7
181.15927	1.4
211.13503	1.3
219.17496	2.3
225.14932	1.3
227.16611	1.5
229.14345	1.9
233.19131	7.9
235.17032	1.3
251.20168	2.2
253.18059	1.2
259.16962	1.5
263.16446	6.1
277.18109	15.4
278.18491	1.0
281.17471	5.1
295.19131	11.9
297.17010	3.2
307.19150	1.1
309.20703	1.2
325.20184	1.0
355.21103	3.9
369.22937	8.6
383.33060	1.4
401.34375	5.4
427.32214	3.6
445.33112	8.9
445.37723	1.0
446.33337	1.5
463.34241	17.9
464.34772	2.2
507.33167	1.7
530.23267	1.1
563.35583	2.7
581.36725	6.7
614.39398	1.1
655.40704	100.0
656.41089	18.4
699.40955	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	13.3
59.39231	1.1
61.98824	4.1
71.01379	3.4
73.02955	1.5
78.95872	2.1
85.02944	1.9
88.30319	1.1
89.02467	3.1
92.71165	1.0
96.30643	1.1
101.02448	2.7
113.02473	1.3
116.92873	1.9
117.92862	1.3
123.31162	1.4
143.07173	1.5
143.73654	1.1
171.10274	49.1
172.10585	2.3
209.11813	3.6
210.12091	1.9
235.08299	2.1
248.18549	1.2
249.18584	22.2
253.09285	19.0
253.21498	1.5
277.21719	100.0
278.22186	8.9
407.19208	1.5
570.90991	1.3
700.58423	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63311	1.4
57.03451	1.6
59.01387	36.9
60.01713	2.9
61.98835	65.2
70.76872	1.5
70.98819	1.4
71.01369	1.8
78.95911	1.6
112.14572	1.4
161.02455	1.5
167.14417	2.4
167.84911	1.5
171.10229	3.6
181.15953	2.5
185.88515	1.5
197.11914	1.6
219.17654	3.5
223.13509	2.1
229.14386	1.9
233.19063	5.7
253.09398	2.0
253.18057	2.5
263.16507	11.4
277.18100	12.3
281.17569	8.1
283.15448	2.2
295.19199	10.3
297.17068	2.9
355.21271	6.1
369.22821	7.2
371.19815	1.5
401.34344	5.9
445.33408	8.9
449.06882	1.7
463.34384	18.4
537.37878	2.6
581.36932	6.8
645.33014	2.3
645.53772	2.2
655.40637	100.0
656.41168	20.2
699.37390	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	699.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.4
57.03445	6.3
58.00589	2.3
59.01387	32.1
61.98825	5.2
69.03442	2.9
69.32304	12.1
71.01385	27.4
72.99313	2.5
73.02937	6.6
73.68896	1.1
78.95911	1.6
83.01392	3.6
85.02956	4.7
87.00881	5.5
89.02450	22.2
97.02937	4.1
98.19952	3.4
98.20601	1.8
101.02457	20.6
113.02470	11.5
119.03500	6.4
125.02443	11.2
136.57640	1.4
139.04044	1.6
143.03450	2.5
161.04561	4.6
167.14426	14.9
171.88765	1.2
173.19901	1.3
179.05577	5.1
181.15968	3.5
191.07443	1.3
193.15848	1.4
195.17488	3.8
195.69150	1.3
200.94569	1.2
209.15526	18.3
209.19075	14.7
211.13300	1.7
211.16995	4.6
221.06755	1.8
223.16919	3.7
225.18608	13.6
227.16605	2.0
229.14139	1.4
235.08267	9.7
235.16922	2.0
239.16487	5.3
253.09332	1.5
253.18088	15.5
254.18391	2.1
255.23302	68.6
256.23615	4.9
265.14450	4.1
271.19040	1.4
279.16006	31.3
283.19031	2.6
287.07709	4.3
297.17145	2.4
305.08707	6.3
309.16995	1.3
327.18097	1.5
357.19269	2.1
371.20764	5.9
397.13501	100.0
398.13748	7.5
412.76151	1.4
415.14584	27.7
570.70276	2.0
625.35498	2.6
653.37622	5.7
655.41418	1.8
699.39587	90.7
700.39954	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	699.381
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.8
58.00615	2.4
59.01383	31.2
61.98827	5.5
69.44543	12.8
71.01388	26.6
71.43221	1.5
72.99310	3.0
73.02949	5.8
78.29319	1.7
78.88042	1.4
83.01397	3.4
85.02953	5.5
87.00871	7.3
89.02443	26.1
95.01392	1.8
96.15655	1.6
97.02950	3.2
99.00897	1.7
101.02448	25.1
113.02454	7.8
119.03516	6.3
125.02447	7.3
143.03479	4.2
161.04597	4.3
171.10280	2.9
176.19232	1.7
179.05600	5.7
209.11879	2.0
211.13364	2.4
235.08281	10.1
241.21729	74.2
242.22118	5.2
253.09125	2.4
287.07874	3.3
300.44138	1.3
305.08728	5.1
340.83899	1.5
347.17871	1.4
397.13507	100.0
398.13757	7.8
415.14511	26.7
416.14996	3.1
463.98868	1.6
519.69244	1.5
535.47314	1.7
639.35730	5.0
640.35706	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	699.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.0
61.98842	0.8
67.53964	0.5
68.08032	0.5
69.96578	1.5
69.96987	1.4
71.01373	1.8
75.00878	0.6
85.02972	0.7
101.02421	0.6
101.09769	0.6
106.14106	0.5
109.03034	0.5
109.06576	1.2
111.08177	1.9
113.02464	0.8
116.05070	1.2
119.05051	0.8
121.03012	0.5
129.47156	0.5
135.04504	0.9
135.08188	1.4
137.09715	0.7
144.04610	1.0
149.06117	1.3
150.06877	34.2
151.07254	2.2
157.08701	2.2
157.35616	0.6
158.06071	1.0
161.02483	0.6
162.06863	0.9
163.07657	14.3
164.08443	8.0
165.08905	0.5
176.08432	0.7
177.09221	1.0
178.10033	0.9
179.10797	19.3
180.11107	1.6
199.09868	0.7
201.11440	0.6
202.05060	1.6
214.05025	0.5
229.06161	0.9
283.06046	0.5
287.11856	1.3
311.22156	1.2
313.17004	0.4
313.20203	11.5
314.20633	1.1
331.10880	1.4
364.22601	1.1
457.29324	1.4
475.30521	3.2
478.29590	1.3
492.30963	19.4
493.31677	29.1
494.32071	3.6
517.31689	0.9
595.10291	0.5
655.37018	100.0
656.37347	19.5
699.35895	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	699.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.0
61.98842	0.8
67.53964	0.5
68.08032	0.5
69.96578	1.5
69.96987	1.4
71.01373	1.8
75.00878	0.6
85.02972	0.7
101.02421	0.6
101.09769	0.6
106.14106	0.5
109.03034	0.5
109.06576	1.2
111.08177	1.9
113.02464	0.8
116.05070	1.2
119.05051	0.8
121.03012	0.5
129.47156	0.5
135.04504	0.9
135.08188	1.4
137.09715	0.7
144.04610	1.0
149.06117	1.3
150.06877	34.2
151.07254	2.2
157.08701	2.2
157.35616	0.6
158.06071	1.0
161.02483	0.6
162.06863	0.9
163.07657	14.3
164.08443	8.0
165.08905	0.5
176.08432	0.7
177.09221	1.0
178.10033	0.9
179.10797	19.3
180.11107	1.6
199.09868	0.7
201.11440	0.6
202.05060	1.6
214.05025	0.5
229.06161	0.9
283.06046	0.5
287.11856	1.3
311.22156	1.2
313.17004	0.4
313.20203	11.5
314.20633	1.1
331.10880	1.4
364.22601	1.1
457.29324	1.4
475.30521	3.2
478.29590	1.3
492.30963	19.4
493.31677	29.1
494.32071	3.6
517.31689	0.9
595.10291	0.5
655.37018	100.0
656.37347	19.5
699.35895	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	699.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	0.9
57.03450	2.7
58.00604	0.9
59.01387	17.8
63.83699	0.7
70.50312	0.9
70.50641	1.7
71.01388	13.6
72.99315	2.0
73.02963	2.0
75.00876	28.2
75.01292	1.7
78.39547	0.7
83.01398	2.8
85.02956	5.9
87.00891	1.6
89.02443	8.5
93.03465	3.4
95.01406	0.9
97.50719	0.8
101.02442	9.3
109.02962	2.2
113.02492	4.0
113.64464	0.8
115.10172	0.8
117.03481	0.9
118.99905	1.0
119.03528	2.7
119.05010	3.7
122.03765	2.6
125.09734	1.4
133.06606	1.3
134.03755	1.4
135.04538	11.2
137.02486	0.7
145.02962	2.5
147.04546	4.0
148.05357	3.9
149.06105	1.7
151.00359	1.9
161.02463	2.4
161.06117	2.9
162.06914	2.1
163.04012	1.7
163.07671	3.1
169.08707	1.2
173.06070	3.6
177.05579	15.3
177.09209	9.9
179.03535	1.1
179.10857	1.1
186.35861	0.8
186.55014	0.7
187.04132	0.9
189.09210	5.6
207.10324	0.9
221.11806	4.1
227.09367	1.2
229.12242	1.2
233.11838	15.9
234.12296	1.1
247.13396	37.2
248.13728	2.7
249.14824	1.1
265.03537	1.6
265.14453	42.7
266.14792	3.6
271.02307	1.0
271.06061	1.7
300.02597	2.0
301.03360	1.2
312.47418	0.8
363.16452	1.0
373.23712	1.1
389.90192	0.9
391.25076	1.6
421.17111	2.4
427.19745	49.1
428.19986	5.3
579.13538	2.5
579.28003	6.2
597.29156	48.6
598.29547	6.8
603.71466	0.9
655.29724	100.0
656.30023	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	699.36
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.3
57.03465	0.3
59.01382	12.0
61.98833	0.7
69.03455	1.6
70.33533	0.3
71.01382	2.6
71.05067	0.3
71.78462	0.3
73.02943	0.5
74.25465	0.4
75.00890	0.4
78.95895	0.4
83.01405	0.5
83.05051	0.6
85.02988	0.7
87.00890	0.6
89.02448	1.5
98.20246	2.1
101.02449	2.3
113.01728	0.3
113.02473	1.4
115.17065	0.3
119.03506	0.7
125.02420	0.3
125.09697	0.6
143.03511	0.3
145.05077	0.3
151.11266	0.3
153.09201	0.8
153.12859	1.1
161.04567	1.2
167.10785	1.4
169.12352	6.0
170.12657	0.3
171.10278	1.1
179.05632	0.4
179.10796	1.0
179.14424	2.2
195.13914	4.7
197.11832	100.0
198.12169	5.2
198.13947	0.6
205.12341	4.8
209.11766	0.4
211.13376	0.7
222.85979	0.3
223.13393	49.5
224.13712	2.7
235.08173	3.5
253.09294	6.9
256.12292	0.4
309.20593	0.6
385.23895	0.9
403.24835	0.9
415.19742	0.7
433.14810	0.5
433.20776	9.5
434.21072	0.8
441.21161	1.8
459.22314	4.6
460.22571	0.6
595.31158	0.8
621.32306	1.7
622.33252	0.4
639.33899	2.4
640.34308	0.6
699.39258	0.4
700.99518	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.26041	1.7
60.99303	1.5
88.98798	3.2
98.19846	4.8
143.12444	1.4
150.89476	1.5
151.00385	8.6
161.02547	1.4
164.91022	1.3
178.99915	3.1
192.00639	1.4
227.03494	2.0
243.03011	6.4
255.02925	16.2
256.03351	2.1
271.02481	37.8
272.03024	1.8
300.02762	73.3
301.03421	29.9
609.14630	100.0
610.14929	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.1
58.00591	2.1
59.01379	17.7
60.71481	1.0
69.03473	1.0
69.27521	10.3
71.01390	11.6
72.40339	1.1
73.02927	2.8
75.00875	33.8
83.01394	1.5
84.14848	1.0
85.02957	4.4
87.00919	1.0
87.04520	1.0
89.02444	9.3
95.01375	1.8
98.20716	1.8
99.00859	1.3
101.02440	8.8
108.02140	2.2
109.02968	2.1
113.02470	3.4
119.03481	2.7
119.05032	1.9
122.03723	3.5
125.09740	2.0
135.04538	14.7
137.02444	1.8
145.02954	2.0
148.05064	1.0
152.27682	1.0
161.02472	4.1
161.06117	2.0
162.06898	3.4
169.08672	2.4
173.06079	3.0
177.05577	4.7
177.09233	13.4
179.03535	3.3
179.10814	1.6
189.09161	7.6
207.10220	1.7
207.60309	1.1
221.11847	3.9
227.09258	3.9
227.11852	2.9
247.13390	40.1
248.13744	3.2
265.14453	53.5
266.14795	4.4
271.02402	1.6
271.10873	1.6
300.02765	1.1
301.03589	2.8
356.22818	1.0
391.24802	1.3
411.25101	1.2
427.19730	61.4
428.20029	7.9
432.52567	1.3
579.27997	15.5
580.28448	3.6
597.29083	31.0
598.29266	4.2
645.82312	1.1
655.29773	100.0
656.30054	20.9
674.62476	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88986	0.8
57.43245	0.9
69.30303	8.3
71.01412	1.2
73.82775	0.8
75.00878	2.8
75.79189	0.9
79.33269	1.0
83.01428	1.8
88.97835	1.1
93.03471	23.7
107.04989	1.0
109.02929	1.9
117.03480	1.9
118.99874	4.8
119.05059	8.4
120.05369	0.9
121.02937	2.3
125.02487	1.4
130.04280	2.5
131.05043	7.6
133.06601	6.0
134.03682	1.1
135.04547	2.8
145.02962	7.7
147.04524	15.7
149.06070	5.4
158.03717	1.7
159.04520	6.3
160.04784	1.0
161.02470	2.1
163.04063	2.3
175.04022	4.5
177.02090	2.4
177.05583	100.0
178.05948	5.0
179.03525	1.1
214.05901	1.0
217.05054	1.0
221.04497	2.6
253.04857	1.1
258.97653	1.0
265.03464	7.0
279.03043	8.2
280.03381	9.6
281.03690	1.1
294.04929	1.1
413.00177	0.9
415.93167	1.1
458.06033	1.4
579.11676	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36692	0.5
55.58779	0.5
59.01390	0.9
61.98835	100.0
64.13139	0.6
71.61470	0.8
75.53314	0.5
104.40348	0.5
107.05068	0.5
108.62156	0.5
173.97603	0.5
207.10301	0.5
229.56056	0.6
338.98468	0.5
698.31982	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13959	0.8
53.55962	0.7
69.45890	1.7
69.46281	6.1
70.32697	0.8
71.01384	1.0
75.00880	3.0
83.01373	1.5
92.70051	0.9
93.03462	21.7
109.02978	2.7
117.03425	1.9
118.99870	4.4
119.05030	10.4
121.02963	1.4
130.04262	2.2
131.05032	7.1
133.06602	8.2
135.04541	1.2
135.18008	0.7
145.02950	6.6
146.03386	0.8
147.04536	14.8
149.06087	6.3
149.82857	0.9
158.03738	2.3
159.04500	7.4
161.02472	1.8
163.04008	1.8
175.04021	3.6
177.05576	100.0
178.05916	4.9
221.04547	2.2
243.11406	1.1
265.03586	6.8
315.09790	1.1
388.99188	1.0
461.71561	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94929	1.8
57.03452	2.4
59.01352	2.2
61.98832	13.6
71.61810	1.9
78.95910	4.1
114.92973	2.1
115.40942	2.3
133.41574	2.4
137.32625	1.9
141.65994	1.8
155.38028	2.1
158.83022	2.1
181.15973	19.1
195.17551	61.7
196.17819	4.3
207.10268	3.6
219.17554	5.1
223.17030	31.8
224.17337	2.7
225.11407	2.3
225.15007	2.9
237.18600	100.0
237.22218	4.4
238.18930	7.4
239.16582	7.3
241.18246	2.4
242.85883	2.2
253.21786	8.2
255.19460	3.6
281.17697	2.5
297.20544	3.1
311.22318	8.9
341.19699	4.0
355.21277	5.4
369.56039	2.0
405.51041	2.1
457.55676	2.4
697.41815	89.5
698.42023	22.6
704.99341	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	697.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13525	0.5
52.55439	0.5
57.03445	0.9
59.01383	9.3
61.98840	2.4
61.99121	0.4
64.38293	0.5
65.03648	0.5
65.03973	1.0
65.71233	0.5
66.63303	0.5
71.01397	3.6
71.28675	0.9
72.99306	0.6
73.02939	0.6
75.00886	0.8
77.35586	0.5
83.01411	0.8
83.05061	0.7
85.02971	1.4
85.41341	0.5
87.00843	0.6
89.02457	1.8
89.35258	0.5
95.01395	0.7
97.02957	0.8
101.02447	2.0
104.67046	0.5
109.06598	0.7
113.02455	1.6
119.05037	0.7
125.09727	2.8
135.08182	0.9
136.05287	1.5
137.06082	16.4
138.06351	0.7
142.46530	0.5
152.04813	4.8
154.84561	0.6
161.04521	0.9
163.07677	2.0
163.11325	0.8
165.05569	100.0
166.05913	3.9
185.11870	1.5
191.10722	0.6
196.30649	0.7
209.11833	2.1
211.13335	0.9
213.12730	0.6
217.12210	0.7
223.13374	0.7
231.13911	2.4
235.08212	1.3
249.15163	0.7
298.67624	0.5
322.85172	0.6
329.25006	1.3
355.22900	0.6
373.23810	3.4
383.22192	1.9
391.24927	1.1
401.23203	5.3
407.22177	0.7
419.24252	2.9
425.23404	0.9
475.30460	2.2
478.02252	0.6
493.31723	26.5
494.31897	2.8
609.32623	2.4
619.31158	6.0
620.31445	1.3
637.32220	11.4
638.32397	2.5
643.31232	10.9
644.31464	2.2
655.36365	0.9
661.31848	2.6
662.32697	1.1
697.38025	33.8
698.38416	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	697.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14104	0.5
54.67329	0.4
57.03447	1.5
59.01383	18.3
67.01888	0.5
69.03455	7.2
71.01393	3.5
71.05034	1.0
71.38315	0.5
73.02962	1.0
74.15727	0.4
81.03448	0.4
83.05031	1.0
85.02959	1.1
85.06575	0.6
87.00889	0.4
89.02442	2.1
93.03455	1.0
95.01349	0.5
95.05017	1.0
97.06604	1.0
101.02458	3.3
109.06606	0.8
113.02413	2.1
119.03501	0.9
121.06583	0.7
125.06065	1.2
126.97757	0.5
133.10226	0.7
145.05084	0.7
149.09723	1.3
151.11279	3.8
159.08194	0.9
161.04568	1.6
167.10789	4.1
177.09213	21.8
177.12782	0.7
178.09584	1.5
179.05608	0.6
179.10789	1.4
179.14427	3.4
195.10269	47.8
195.13902	9.9
196.10576	3.2
205.12346	9.4
206.12704	1.2
223.13396	100.0
224.13716	6.5
235.08215	3.7
253.09309	9.3
254.09639	0.5
383.22360	1.0
401.23178	1.4
431.19366	1.7
441.21255	1.5
448.25314	0.5
459.22385	19.0
460.22803	2.3
619.31403	2.1
637.32257	2.8
652.86523	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63903	0.7
57.03464	0.7
59.01387	8.8
61.98831	3.4
64.02493	0.6
65.03959	0.7
71.01386	2.8
71.53808	0.5
72.99319	0.8
73.02947	1.7
83.05055	1.2
84.12212	0.6
85.02983	1.1
87.00888	1.0
89.02458	1.5
93.03447	0.8
97.06611	0.7
98.19916	1.7
101.02453	2.3
101.43665	0.6
102.59933	0.6
113.02449	1.6
125.09736	2.6
135.04536	0.8
136.05354	1.2
137.06107	14.1
137.18098	0.6
138.06395	0.8
145.49190	0.7
152.04814	4.3
161.04526	1.0
161.61549	0.7
163.07635	3.1
165.05574	100.0
166.05891	3.3
185.11864	1.8
209.11861	2.2
211.13390	0.7
231.13879	1.3
233.11961	0.6
235.08255	1.2
253.09460	0.8
293.13065	0.6
297.15247	0.8
313.94336	0.7
329.24756	1.2
373.23706	1.8
383.22208	1.7
391.25040	1.1
401.23410	4.0
419.24417	2.7
425.23080	0.7
438.31012	0.7
475.30515	2.4
493.31693	27.0
494.32175	3.6
495.02252	0.8
609.32751	1.2
619.31116	4.0
620.31689	0.8
629.18439	0.6
637.32214	11.9
638.32782	1.9
643.31238	10.7
644.31836	2.3
661.32306	3.2
697.38080	37.9
698.38416	6.7
717.16443	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.0
70.16997	3.5
71.01375	1.4
75.00861	1.2
80.35466	0.7
83.01409	1.0
93.03465	22.3
96.48647	0.8
107.05023	2.0
118.99844	1.9
119.05030	11.4
121.06598	1.6
130.04253	1.0
131.05022	9.2
133.06630	5.6
135.04570	0.9
145.02927	5.2
147.04535	16.4
149.06111	5.2
158.03751	1.8
159.04550	6.2
163.04070	1.9
175.03996	2.7
177.05582	100.0
178.05995	4.8
183.79707	0.9
221.04546	1.1
265.03531	6.1
284.03195	1.0
285.03876	1.0
345.94272	0.9
683.75720	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69339	0.2
54.22370	0.2
59.01384	100.0
60.01718	1.2
61.98832	0.8
63.29480	0.2
65.76337	0.2
70.75716	0.4
70.76058	0.3
71.01373	0.3
73.02975	0.3
98.20435	0.2
121.02962	2.3
137.85269	0.2
158.01694	0.2
165.05594	0.2
171.10307	0.6
181.06593	0.2
191.03578	0.5
209.04529	1.2
209.11931	0.3
223.13271	0.3
373.40460	0.2
406.57224	0.2
512.14862	0.2
545.04059	0.2
593.13348	0.8
626.27051	0.3
667.82971	0.2
692.51697	0.2
697.42114	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00581	0.3
59.01378	3.6
61.98832	0.5
65.08092	0.2
68.09428	0.2
70.15224	0.2
71.01383	2.7
71.16550	0.2
71.16887	0.4
73.02941	0.3
78.95887	0.3
80.02672	1.1
80.74973	0.2
81.03458	1.5
83.01401	0.7
83.05029	4.4
84.02171	0.6
85.02950	0.4
87.00874	0.4
89.02439	2.0
93.03436	0.2
93.93497	0.2
95.05024	0.7
96.75356	0.2
97.02965	0.2
101.02437	2.0
105.61275	0.2
108.49236	0.2
109.06600	0.5
113.02465	1.4
119.03503	0.6
125.06129	0.4
131.03467	0.3
135.08128	0.5
149.19841	0.2
161.04541	0.8
163.11301	3.4
165.12839	2.5
179.05566	0.4
181.12311	0.4
191.10773	0.9
199.09741	0.7
199.13380	0.3
205.19658	0.4
209.11830	100.0
210.12170	5.9
225.11360	0.4
227.12897	10.8
228.13281	0.8
231.17549	0.4
235.08209	1.3
247.17010	0.3
249.18596	47.4
250.18941	3.8
253.06606	0.4
253.09273	8.2
277.21780	1.3
279.03088	0.2
445.20819	0.9
503.33926	0.2
695.39142	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90844	0.5
59.01382	100.0
60.01726	1.2
61.98829	2.4
69.72552	2.7
78.95906	11.7
91.04003	0.6
167.44748	0.6
203.92256	0.5
205.16003	1.3
212.20374	0.5
342.82367	0.6
447.13611	0.6
452.27939	0.6
528.79785	0.6
656.77472	0.7
679.83698	0.6
695.31128	44.9
696.31525	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	695.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
59.75184	0.8
69.52138	3.5
69.52564	3.1
71.01371	1.0
72.99326	1.8
75.00879	11.6
89.02460	0.9
93.03477	3.3
106.06627	6.1
106.35880	0.9
107.06946	1.0
109.02959	6.6
110.03310	0.9
115.00324	1.1
117.03468	1.4
118.99922	0.9
119.05026	2.7
121.02964	4.1
123.04526	1.0
125.02470	0.9
131.05028	1.3
132.04576	1.6
133.02916	1.0
135.04570	2.6
137.02480	0.8
145.03001	5.6
147.04504	4.3
149.02449	1.6
150.05629	4.7
151.06006	1.5
159.04564	1.2
161.02467	5.5
163.04054	1.0
167.04973	1.0
173.02446	8.8
174.03206	2.5
175.04031	10.6
177.05571	9.7
185.01108	1.0
185.02428	5.5
189.01814	1.1
195.04539	3.7
197.06099	1.6
201.01962	4.3
207.04529	1.0
209.06044	0.9
213.05609	5.8
219.02823	1.0
223.04033	4.3
224.04750	4.4
225.05586	3.4
235.03943	1.6
237.05568	1.5
241.05107	2.0
243.06653	2.0
249.05611	1.0
250.02667	2.0
251.03499	11.6
252.04231	8.4
253.05051	12.1
254.05580	1.4
255.06660	2.1
255.11345	2.0
261.05869	1.5
262.06332	1.3
263.03586	1.1
263.06979	1.2
264.04132	1.3
265.05035	2.3
269.04459	4.0
276.04211	2.1
277.03616	3.2
277.79782	0.9
278.05859	1.1
279.02997	100.0
280.03662	24.2
281.04572	10.5
281.07959	1.3
286.19241	0.9
289.04919	1.6
290.05774	1.8
291.06583	1.3
293.04636	5.0
299.10181	0.9
301.05045	3.5
302.05673	1.1
303.06488	1.1
304.03622	1.6
305.04550	3.2
306.05408	1.6
307.02573	1.7
307.06149	4.2
317.04529	3.8
317.11551	1.5
319.06036	5.3
332.03259	1.0
333.04062	5.8
345.04044	4.4
361.10367	4.2
370.11444	1.9
401.98758	0.9
409.06839	1.9
410.07709	1.1
411.08771	5.4
413.06818	3.9
421.05530	3.0
427.08185	5.9
429.09781	12.4
430.09860	1.2
437.06720	2.4
455.07736	67.5
456.08075	9.7
473.02924	0.9
473.08578	5.1
500.18365	1.0
531.09271	13.5
532.09650	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	695.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
69.38189	8.3
71.01368	1.0
74.42799	1.0
75.00871	10.6
83.47535	0.9
93.03484	1.8
99.00879	1.5
106.06635	2.1
109.02968	8.7
119.05042	3.5
121.02946	3.8
135.04474	1.9
137.02417	1.5
145.02922	3.9
147.04504	3.6
150.05576	1.8
158.03741	1.2
159.04591	1.1
161.02454	5.6
163.03990	1.7
167.05006	1.4
173.02457	8.4
173.03778	1.5
174.03235	2.7
175.04030	8.9
177.05560	1.2
185.02429	5.8
195.04539	3.8
197.06059	2.0
201.01924	2.8
207.04553	1.9
208.05199	1.6
213.05563	6.5
223.03986	5.4
224.04662	6.2
225.05525	3.9
235.03934	1.8
237.05675	2.0
241.04955	1.8
243.06871	1.6
250.02620	2.0
251.03467	13.4
252.04256	9.2
253.05026	9.8
254.05695	2.0
255.06580	2.6
261.05606	2.2
262.06290	1.9
263.03366	1.7
267.06583	1.5
269.04453	4.2
274.06143	1.1
276.04556	1.2
278.05765	1.4
279.02982	100.0
280.03653	27.2
281.04507	11.2
282.05215	1.2
289.05032	2.0
291.02930	1.2
293.04587	7.0
293.07529	1.6
294.05203	1.2
301.05112	1.2
304.03177	1.1
305.04474	2.1
306.05115	1.2
307.02686	2.1
307.06122	6.4
317.04532	4.6
319.06088	5.4
332.03091	1.3
333.03998	3.7
345.03922	3.1
393.08032	1.2
409.07153	2.8
411.08691	4.1
413.06769	1.9
427.08243	7.8
429.09879	12.8
430.10083	1.2
437.06693	1.5
455.07715	76.3
456.07932	11.2
473.08624	3.2
505.11340	1.5
515.35071	1.0
531.09454	13.6
532.09033	1.3
695.21967	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84795	0.7
59.01357	1.6
69.73563	2.6
71.01389	1.3
75.00886	9.0
84.75654	0.6
86.64090	0.7
93.03458	1.3
96.96021	0.9
97.67532	0.8
98.19936	0.8
99.00925	0.8
109.02951	6.7
119.05067	1.6
121.02913	3.6
133.02933	1.2
135.04544	1.9
137.02420	1.2
145.02968	4.6
147.04526	2.6
149.02429	1.2
157.02989	0.8
158.03755	1.3
159.04541	1.4
161.02426	3.9
167.05002	1.4
169.06657	0.9
173.02408	6.3
174.03214	2.9
175.04045	8.9
179.05019	1.6
183.60374	0.7
185.02415	4.2
195.04506	3.0
197.06129	1.5
201.01981	1.1
202.31947	0.7
207.04495	1.1
209.05997	0.7
211.04018	1.1
213.05516	5.3
214.42387	0.7
223.04044	5.6
224.04729	4.5
225.05629	3.4
233.06306	0.8
235.04085	1.2
237.05716	1.1
239.03325	1.0
241.05063	1.0
243.06720	1.7
248.04730	1.1
249.05635	0.8
250.02757	1.8
251.03525	12.4
252.04272	10.7
253.05035	7.7
254.05643	1.1
255.06741	1.0
261.05533	2.9
263.03452	1.5
264.04163	0.8
265.05011	1.9
265.08228	0.6
269.04559	4.5
273.05408	0.9
277.05185	1.4
279.02997	100.0
280.03650	25.1
280.06757	0.5
281.04608	9.1
283.06213	0.9
289.05124	2.6
290.05692	1.1
291.06586	1.2
293.04648	5.3
294.05298	1.1
304.03729	1.0
305.04648	1.7
307.02524	2.4
307.06165	4.2
317.04572	6.1
318.04907	1.4
319.06180	3.9
332.03336	2.0
333.04004	3.0
345.04214	4.1
349.15503	0.7
381.07513	1.2
383.09369	0.8
393.07700	1.0
399.09265	0.9
409.07245	2.4
411.08853	4.6
413.06897	1.8
427.08145	5.9
428.08429	1.4
429.09717	11.3
430.10132	1.3
437.06796	1.0
455.07715	64.4
456.08005	7.9
473.08905	1.4
487.10495	1.1
505.11548	1.2
531.09326	10.6
532.09637	1.1
549.10193	0.9
597.53192	0.7
610.57324	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	12.9
61.46436	0.5
61.98827	0.8
70.93823	0.9
71.01382	5.3
72.99265	0.5
73.02965	1.0
80.02689	1.5
81.03455	2.6
83.01409	1.1
83.05030	3.7
85.02953	2.1
87.00885	0.9
89.02438	4.2
93.03446	0.5
95.05032	0.8
97.02958	6.7
97.06619	0.7
99.00884	1.2
101.02453	5.6
101.03081	0.6
106.04257	0.5
107.05038	1.4
109.06594	34.8
110.03756	1.0
110.06918	0.9
111.00928	0.4
113.02480	2.4
113.03127	0.4
115.34635	0.4
119.03493	0.9
121.06593	2.3
123.04531	0.9
125.02496	0.5
125.09751	0.7
133.06601	0.4
135.08171	4.4
136.05313	1.1
142.02737	2.1
143.03534	0.9
145.10197	0.5
161.04547	2.1
161.09705	2.1
163.11296	19.1
164.11609	0.9
171.10303	1.7
179.05594	0.8
179.07155	0.5
179.10759	1.1
181.12341	4.0
189.09195	3.6
197.11902	0.9
207.10263	100.0
208.10631	6.6
209.11810	0.9
222.96349	0.4
225.11322	35.3
226.11667	2.2
231.17529	0.4
235.08232	2.6
243.12444	0.7
249.18594	67.0
250.18912	6.1
253.09267	11.9
254.09677	0.6
277.21783	1.7
299.15030	1.3
303.23364	0.6
340.35110	0.4
395.29654	0.7
413.30673	2.3
439.28598	1.0
443.19162	5.5
444.19489	0.7
457.29645	1.3
461.20273	13.5
462.20514	1.3
598.09277	0.4
656.25153	0.7
657.25153	1.4
675.37634	0.9
693.38513	29.1
694.38940	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	693.204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13814	0.9
55.02666	1.1
57.44730	0.9
59.01381	4.8
59.30495	1.0
63.51684	1.0
70.21474	3.9
71.01388	61.0
72.01753	1.8
73.02979	1.6
75.00877	55.2
76.83414	1.0
78.33495	1.2
84.71217	1.0
85.02969	1.2
88.65463	1.0
89.02448	2.0
93.03464	4.4
99.31836	1.1
101.02458	1.7
103.04020	1.7
104.23601	0.9
108.02193	1.9
108.86988	1.0
112.91002	1.0
119.05021	5.4
125.02445	3.3
129.01952	40.4
145.02951	2.9
145.06602	4.6
147.04459	2.4
163.03993	4.9
163.06166	1.6
177.05580	2.8
185.96964	1.3
188.02312	1.0
210.06853	17.2
211.07652	100.0
212.08047	7.4
221.04581	1.7
223.07576	4.2
237.09190	17.4
238.09962	1.8
239.10706	3.8
253.08740	6.6
265.08679	4.2
283.09811	6.2
307.10382	2.1
341.10391	6.7
376.23602	1.2
403.38947	1.1
480.60992	1.3
573.19788	1.8
591.20801	18.6
592.21991	2.4
638.61591	1.2
647.90424	1.2
649.10248	2.3
649.21381	41.3
650.21783	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	691.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14736	0.3
55.01872	0.5
57.03458	0.6
58.00592	0.8
59.01388	18.0
61.98838	1.7
69.03462	0.9
69.49555	2.7
71.00996	0.6
71.01390	13.0
72.99316	1.1
73.02958	1.8
75.00884	0.6
78.95904	0.5
81.03461	0.5
83.01411	1.6
85.02945	2.8
87.00880	3.0
89.02454	12.2
93.03461	0.8
95.01402	0.9
97.02954	1.7
99.00876	1.2
101.02454	10.0
103.66282	0.3
109.06580	0.4
111.00899	0.4
113.02462	4.8
119.03514	3.5
121.02967	0.4
125.02451	3.1
139.04056	0.4
141.09183	0.4
143.03477	1.7
147.04539	0.5
149.84314	0.4
161.04588	2.5
177.05632	2.2
179.05663	3.0
179.14410	0.7
195.13921	7.1
196.14368	0.5
205.12450	0.3
205.16039	0.8
211.13371	0.6
221.06645	0.7
223.13402	5.1
224.13785	0.4
228.13680	0.6
235.08238	3.0
253.09309	1.3
256.13135	1.2
263.07748	0.6
265.21671	0.4
275.20193	4.6
287.07748	0.6
293.21249	100.0
294.21561	9.1
302.54218	0.3
305.08765	0.7
323.09933	0.3
397.13501	23.7
398.14038	1.7
409.18542	0.4
415.14594	24.4
416.14865	1.9
451.48752	0.4
631.37946	0.6
637.32471	0.5
654.28229	0.5
691.35938	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.4
62.91227	0.1
71.01379	0.1
71.61204	0.1
73.02965	0.1
75.00872	0.3
78.70567	0.1
78.95924	0.2
91.05519	0.1
93.03477	0.6
96.95996	0.1
101.02417	0.1
109.02929	0.1
117.03484	0.1
119.05033	100.0
120.05363	3.9
135.04521	0.1
145.02933	0.1
152.30298	0.1
159.04503	0.1
161.02414	0.1
201.11398	0.1
279.03058	0.1
285.04007	0.1
300.02707	0.1
301.03333	0.1
323.11465	0.3
485.30701	0.1
511.29272	0.1
691.33276	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	32.8
61.98818	3.3
68.96628	2.7
71.01395	12.1
71.38650	4.3
72.90707	2.3
73.02969	6.7
84.92542	2.7
85.02967	6.3
89.02469	8.8
92.25517	3.1
99.00901	4.3
101.02464	13.9
109.06613	11.2
113.02441	7.1
119.03447	3.7
125.02419	2.6
161.04509	5.2
162.53677	2.5
163.11311	5.2
165.75255	2.6
177.05574	7.2
179.05621	3.9
185.11835	4.5
196.86572	3.1
207.10280	29.3
211.13412	65.1
212.13832	3.5
225.11369	18.8
235.08237	8.5
235.17029	5.2
253.09337	8.9
275.20111	12.3
293.21204	19.5
294.21451	3.2
357.24283	3.7
373.23712	3.7
383.22354	9.3
397.13510	12.3
401.23282	24.3
402.23889	3.3
415.14572	8.5
419.24286	7.8
440.18848	2.9
443.19507	3.7
447.22345	7.3
461.20340	5.2
511.36783	3.1
550.88428	3.2
609.32715	5.7
611.30286	5.1
619.31201	22.3
620.31366	3.4
624.80255	3.8
637.32300	100.0
638.32703	20.4
647.34210	3.4
655.33405	48.8
656.33954	8.1
691.30865	13.4
691.41302	3.8
692.31592	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	688.34
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.4
61.98831	100.0
62.98559	0.2
65.92913	0.2
68.56229	0.2
71.01359	0.2
71.61749	0.2
89.02446	0.2
191.78757	0.2
205.38885	0.2
242.71753	0.2
256.55951	0.2
316.57300	0.2
633.01788	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02651	0.9
55.01865	1.3
57.03431	1.6
58.00580	1.4
59.01093	1.9
59.01382	35.0
61.98822	6.5
71.01384	21.0
72.99303	2.7
73.02938	4.6
75.00861	3.7
83.01364	1.6
85.02959	3.7
87.00871	3.8
89.02454	15.0
93.03440	1.2
96.96031	2.2
97.02935	3.2
99.00893	1.0
101.02450	15.0
111.08161	8.7
113.02453	6.6
116.92839	1.4
119.03519	4.5
125.02460	4.3
143.03497	2.6
161.04526	3.6
167.10780	1.7
177.12859	1.9
179.05598	5.1
179.10759	2.0
195.13913	4.8
235.08211	4.3
247.20728	1.5
253.09294	1.4
287.07828	1.4
291.19653	100.0
292.20108	8.1
305.08646	1.6
323.09839	1.2
397.13498	44.7
398.13727	2.8
415.14551	22.4
416.14487	1.3
485.32321	1.3
581.41174	1.1
598.51129	1.3
689.35992	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	689.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	29.2
61.98826	69.1
71.01399	16.1
71.61239	18.9
75.00878	16.3
89.02444	24.0
101.02457	19.7
125.02422	19.1
235.08138	19.4
255.23299	91.7
256.23706	16.0
299.04309	20.3
327.02277	14.0
330.29510	13.4
330.88803	13.4
345.62619	14.9
387.74698	16.6
394.76257	13.3
397.13455	100.0
415.14560	48.2
420.37439	13.1
427.30646	13.8
689.34827	79.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61420	0.2
56.40361	0.2
59.01378	1.0
61.98834	100.0
62.98563	0.2
69.03464	0.2
69.19814	0.2
71.01405	0.3
79.71449	0.2
97.60193	0.2
98.20102	1.2
145.91364	0.2
183.10460	0.2
211.13425	0.4
212.13780	0.3
223.13385	0.2
224.13719	0.3
360.18665	0.2
397.27512	0.2
399.07349	0.2
460.86221	0.2
563.50208	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3966
Annotation	CHEBI:69613
Peak:m/z	Relative Intensity
56.91062	0.6
59.00782	0.5
59.01384	0.5
59.72046	0.4
69.56325	3.2
71.01407	0.7
71.82359	0.4
75.00855	0.7
85.02956	2.6
87.00879	0.7
97.06596	0.6
109.06595	0.6
123.08159	1.2
135.08139	1.4
138.06905	0.6
149.06093	2.4
150.06873	22.2
151.07208	1.1
153.09186	1.1
162.06874	1.1
163.07657	14.7
164.08424	4.3
171.10272	0.9
171.17206	0.4
177.09157	1.1
178.09944	1.4
179.10793	8.9
187.09784	0.7
223.67285	0.5
241.01543	0.5
301.20111	0.7
315.67300	0.5
334.21115	0.7
343.24841	2.7
345.22791	2.9
349.46295	0.6
462.33426	0.9
464.31488	3.8
478.33096	3.6
479.33813	5.4
480.34250	0.9
488.31146	0.7
506.32553	5.0
507.33234	3.3
524.33533	6.9
525.34344	18.5
525.42249	1.1
526.35052	2.8
687.39606	100.0
688.39948	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	687.396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.2
63.00980	0.5
71.01388	0.9
85.02952	1.6
87.00874	1.1
100.63425	0.5
109.06593	0.6
109.89052	0.5
111.08041	0.7
123.08176	0.9
126.55329	0.7
135.08142	0.9
149.06052	2.9
150.06876	21.8
151.07300	1.2
152.04742	0.6
153.09213	0.9
155.10834	0.7
163.07654	13.7
164.08446	3.7
165.05589	0.7
171.10240	0.6
177.09222	1.2
178.09990	0.8
179.10780	11.0
187.09904	0.9
250.41792	0.6
259.14737	0.5
301.20132	1.0
334.21109	0.6
343.21133	0.8
343.24753	3.1
345.22870	2.7
446.30301	0.7
462.33633	1.2
463.34314	0.7
464.31323	3.2
478.32971	4.0
479.33743	4.8
480.34100	1.2
506.32407	6.5
507.33224	2.1
508.07562	0.6
524.33533	8.6
525.34338	17.8
526.34521	3.1
687.39594	100.0
688.40027	22.8
688.52008	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01350	3.0
61.98827	3.6
67.89578	2.6
69.03458	3.2
70.91798	2.6
70.92133	5.9
78.95910	33.6
95.48399	2.5
96.96970	5.7
152.99606	46.9
153.38640	2.9
167.10820	4.3
195.13907	12.3
196.89560	6.4
205.12331	10.0
223.13393	76.9
224.13686	6.3
227.03134	4.0
253.21704	43.3
254.22121	3.9
255.23245	3.7
325.83823	2.6
359.12534	8.2
433.16492	4.2
451.17422	100.0
452.17825	7.2
584.92328	2.6
687.38696	39.6
688.39417	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	687.396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.2
63.00980	0.5
71.01388	0.9
85.02952	1.6
87.00874	1.1
100.63425	0.5
109.06593	0.6
109.89052	0.5
111.08041	0.7
123.08176	0.9
126.55329	0.7
135.08142	0.9
149.06052	2.9
150.06876	21.8
151.07300	1.2
152.04742	0.6
153.09213	0.9
155.10834	0.7
163.07654	13.7
164.08446	3.7
165.05589	0.7
171.10240	0.6
177.09222	1.2
178.09990	0.8
179.10780	11.0
187.09904	0.9
250.41792	0.6
259.14737	0.5
301.20132	1.0
334.21109	0.6
343.21133	0.8
343.24753	3.1
345.22870	2.7
446.30301	0.7
462.33633	1.2
463.34314	0.7
464.31323	3.2
478.32971	4.0
479.33743	4.8
480.34100	1.2
506.32407	6.5
507.33224	2.1
508.07562	0.6
524.33533	8.6
525.34338	17.8
526.34521	3.1
687.39594	100.0
688.40027	22.8
688.52008	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11318	1.1
54.74114	1.0
57.03465	1.2
59.01384	16.8
61.98831	6.4
71.01396	10.3
71.60732	1.0
71.61094	1.3
72.99323	1.5
73.02954	7.6
75.00885	3.4
83.01373	1.7
85.02952	2.0
87.00883	2.6
89.02442	5.6
96.96000	2.3
101.02472	7.9
109.02908	2.3
109.89705	1.1
113.02457	5.9
119.03460	3.9
119.05017	1.2
123.08150	2.8
125.06115	1.1
133.03041	1.2
135.04581	1.8
136.05237	1.9
137.06110	5.4
139.03972	2.4
141.26859	1.2
143.03485	2.2
145.02969	2.7
148.05273	2.7
149.06007	2.3
150.06845	5.0
151.04013	6.0
151.07532	1.1
152.04803	43.5
153.01939	1.6
153.05205	2.6
155.10777	1.3
161.02391	1.4
161.04575	2.7
163.07663	9.0
165.05579	31.6
171.10330	1.5
177.05482	1.7
179.05704	1.5
179.07094	4.6
179.10681	2.5
201.11418	2.3
250.05679	1.1
285.03970	1.8
319.40948	1.3
341.23215	2.6
343.21185	5.1
370.95047	1.2
394.80627	1.3
463.30469	1.7
479.30069	5.7
481.27484	1.6
489.28284	3.6
506.28656	2.3
507.29480	4.2
523.22223	2.0
524.29797	6.1
525.30597	18.3
687.36047	100.0
688.36420	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02879	3.6
52.36077	4.7
59.01388	6.6
60.48305	3.7
61.98830	100.0
71.01379	7.6
78.95923	4.9
89.02370	3.5
101.02419	3.8
108.57320	4.1
109.89855	4.0
125.02477	5.2
238.91277	4.2
253.09486	4.8
253.21803	6.1
304.64346	4.4
390.01877	4.5
397.13492	28.5
436.76837	4.5
538.51617	4.5
575.66833	4.4
651.36450	4.8
687.33606	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	687.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65059	0.9
53.35953	0.8
53.93776	0.9
54.72265	1.0
55.01892	1.1
56.15916	0.9
57.03442	1.0
59.01382	17.3
59.27786	0.9
61.98835	8.0
70.76797	2.7
71.01395	10.1
72.99287	1.0
73.02951	6.5
75.00859	2.9
83.01358	2.1
85.02940	2.9
87.00859	1.6
89.02438	4.8
95.02357	0.9
96.96010	1.2
97.06578	1.0
101.02457	6.0
109.02949	2.2
113.02460	5.2
119.03477	2.5
121.02987	0.9
121.06499	1.0
121.98905	0.9
123.04502	1.6
123.08095	1.4
125.06107	1.2
131.03445	1.2
135.04497	1.9
135.08153	1.8
136.05304	1.8
137.06096	7.7
145.02931	1.5
148.05258	3.6
149.06009	2.6
150.06845	3.4
151.04027	6.5
152.04810	44.6
153.01947	1.5
153.05283	2.2
157.08626	1.0
157.45485	0.9
161.04526	2.3
162.06897	1.1
163.07654	8.3
164.04784	1.1
165.05586	34.1
165.09187	1.5
166.05890	2.3
167.03558	1.0
179.07140	4.7
179.10735	2.5
180.10989	1.0
201.11250	2.3
325.20255	1.1
341.23349	1.6
343.21347	6.9
345.22748	1.6
478.29208	1.5
479.29922	5.6
480.30435	1.2
481.90619	1.2
489.28235	2.1
506.28732	3.7
507.29477	6.1
522.22089	2.1
523.22577	5.9
524.29620	7.8
525.14294	1.2
525.30518	14.9
526.30695	3.4
643.34277	1.0
687.36053	100.0
688.36273	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	687.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	3.8
57.80753	1.7
58.97828	1.8
59.01385	53.0
61.98831	8.1
67.53085	2.0
69.03468	3.5
71.01390	25.8
71.62164	2.2
72.99314	3.9
73.02955	19.1
75.00880	6.9
83.01398	6.7
85.02951	9.1
87.00885	6.8
88.98806	3.7
89.02460	8.8
96.96017	4.6
97.02955	2.1
99.04491	2.0
101.02448	30.7
103.04004	2.7
113.02454	5.8
121.01819	2.0
125.02470	3.7
125.09739	2.4
127.04058	2.2
131.03505	6.1
139.04076	2.1
143.03535	5.3
144.40573	2.1
145.05107	2.7
163.06114	8.8
163.11316	3.4
165.05588	3.0
171.10269	3.3
187.09810	4.0
189.12859	3.2
197.11852	4.2
201.11388	3.6
205.07159	4.4
207.10280	3.2
209.11861	8.1
211.13399	2.6
233.92526	2.0
249.14993	5.8
261.11353	4.6
293.13968	100.0
294.14218	8.9
307.15594	10.6
313.73679	2.2
335.15054	4.6
373.25507	3.0
377.16049	2.8
437.32922	2.9
465.32126	10.3
599.36945	3.3
636.71576	2.3
643.37189	2.7
686.39246	4.3
687.20215	2.1
687.40692	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	687.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22475	0.9
55.01871	1.3
56.38595	0.9
57.03448	1.3
59.01145	0.9
59.01383	14.4
61.98835	2.2
63.46432	0.9
64.81194	0.9
69.03447	4.5
69.35484	1.0
71.01385	9.6
71.05035	2.2
71.61299	1.0
71.61709	1.4
73.02948	2.5
78.95892	1.2
81.03467	1.4
83.01405	1.5
83.05015	4.0
85.02940	2.6
87.00851	3.1
87.04488	1.1
89.02435	4.6
95.05022	1.4
97.06557	1.3
99.00873	1.3
101.02447	5.3
111.04457	1.0
111.12624	1.1
113.02434	4.1
119.03481	1.0
124.95730	1.0
125.02457	1.1
125.09714	4.0
135.02980	0.9
135.08102	1.2
137.02423	1.0
149.04585	1.4
151.11237	3.1
161.04605	1.3
161.09714	3.2
162.14822	0.9
163.11230	3.7
165.12831	1.7
171.10184	1.4
179.10797	9.3
184.72926	0.9
187.33778	1.1
191.10748	1.7
191.47243	0.9
197.11835	68.2
198.12131	3.1
209.11847	46.0
210.12172	2.5
225.11353	1.4
227.12859	4.0
235.08255	1.2
241.10716	3.1
253.09221	3.2
291.05307	0.9
291.19812	1.2
329.23294	1.9
351.21689	3.5
440.30554	2.1
477.19788	3.6
525.30298	3.2
529.72412	1.2
644.36188	3.2
669.31134	1.7
687.32202	100.0
688.32611	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	687.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	29.9
61.98830	37.0
71.01385	12.8
71.18134	22.7
78.95900	17.0
80.25926	10.2
82.87846	9.7
85.47713	9.6
89.02463	18.9
101.02431	12.6
109.42028	9.5
119.03532	14.8
132.40791	11.2
253.21725	46.4
255.23225	12.2
341.65802	11.1
397.13446	100.0
491.60474	11.9
541.61194	11.6
646.39270	11.5
687.33344	48.0
693.15887	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	685.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.9
59.01389	4.9
61.98817	1.9
69.35681	0.7
70.59795	0.8
70.60134	1.7
71.01386	1.7
73.02929	2.2
75.63911	0.7
85.02955	1.8
89.02460	1.2
95.01411	0.6
101.02448	1.8
111.04613	0.9
113.02452	1.8
119.03489	0.6
120.32233	0.8
125.09657	0.8
135.04498	1.4
135.08171	1.8
136.05310	2.0
137.06050	1.4
138.07875	0.7
145.02896	1.0
149.06064	4.6
150.06874	60.2
151.07310	2.6
162.06866	1.8
163.03979	0.8
163.07660	25.1
164.08426	12.7
165.05582	5.9
165.09146	1.5
176.08481	1.2
177.09297	1.4
178.09877	0.8
179.10788	31.6
180.11064	1.6
193.08878	0.7
201.11342	1.0
297.24289	1.5
299.22308	15.5
300.22687	1.3
326.60843	0.7
327.21869	1.0
460.31888	2.2
461.33224	4.3
462.33206	0.9
463.30634	0.8
464.31635	3.5
478.33057	27.4
479.33810	37.7
480.34082	5.8
481.31769	2.7
503.33685	1.1
505.31454	0.8
523.29071	2.5
583.57538	0.8
641.39081	100.0
642.39240	16.7
685.37885	19.0
686.38477	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	685.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40556	0.4
57.03461	0.5
57.93049	0.4
59.01369	1.2
62.66450	0.4
69.41575	3.2
71.01363	0.6
85.02964	1.0
87.00890	1.0
97.06612	1.0
111.08183	0.8
123.08156	1.3
123.27648	0.5
135.08168	0.6
141.09161	0.7
149.06094	1.2
150.06871	20.7
151.07251	0.5
157.08679	1.1
162.06870	1.0
163.06317	0.5
163.07654	9.2
164.08446	4.1
165.09058	0.6
177.09192	0.8
179.10788	12.8
180.11026	0.5
187.09734	0.6
229.10794	2.1
289.22272	0.6
299.18768	0.7
313.20166	1.0
341.23383	2.7
343.21420	2.5
347.32959	0.6
364.22488	1.3
441.30170	0.8
452.32507	0.5
459.31189	0.8
462.29816	1.2
476.31345	2.0
477.32147	3.8
478.32544	0.7
493.31836	0.8
504.30984	2.8
505.31839	2.3
522.31952	6.8
523.32758	16.6
524.33392	2.2
685.38062	100.0
686.38373	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	685.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19113	0.6
53.29589	0.5
58.82320	0.6
59.01348	1.4
62.69605	0.5
71.12851	0.6
71.13179	1.1
77.11969	0.6
84.27300	0.8
85.02955	1.1
87.00858	1.2
97.06603	0.9
123.08138	1.8
129.29451	0.6
141.09224	1.1
149.06059	1.0
150.06871	22.3
151.07344	0.6
157.08742	0.8
163.07646	7.7
164.08446	4.7
177.09164	0.8
178.09976	1.2
179.10785	13.9
180.11121	0.6
200.98912	0.6
201.11285	1.5
229.10776	2.9
261.89566	0.7
299.18613	0.6
305.33191	0.6
320.19855	1.2
321.20505	0.8
335.22311	0.8
341.23459	1.3
343.21243	2.4
364.22461	1.6
459.31091	1.2
462.29755	1.5
476.31540	1.5
477.32297	4.4
504.30975	2.8
505.31674	2.3
522.32135	4.5
523.32721	15.0
524.32892	3.2
685.38043	100.0
686.38422	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34024	0.9
55.49443	0.9
59.01389	6.0
61.98826	3.0
71.01389	3.2
71.60873	1.1
73.02953	1.3
75.00878	1.4
83.05061	1.1
85.02946	1.4
88.98818	2.6
89.02463	2.3
96.96011	1.5
97.06634	1.0
101.02442	1.1
107.22559	0.9
111.08170	1.0
113.02441	2.5
116.93031	0.9
119.67649	0.8
122.03738	1.1
123.04538	1.3
123.08140	1.0
125.09702	1.0
135.04509	1.0
135.08124	2.7
136.05304	2.6
137.06047	1.2
149.06085	6.0
150.06874	63.1
151.07321	2.0
160.75374	0.9
161.02548	1.3
162.06822	1.6
163.07661	31.6
164.08435	14.5
165.05545	2.6
165.09128	1.3
176.08412	1.1
177.09216	2.8
178.09949	1.6
179.10779	32.2
180.11136	1.4
201.11293	1.3
271.58057	0.9
277.33707	1.0
297.24423	3.5
299.22327	15.4
376.25861	0.9
451.42560	0.9
460.32153	2.7
461.32648	4.0
463.31006	0.9
464.31586	3.2
470.34604	0.9
474.61279	0.9
477.31467	1.0
478.33002	35.1
479.33856	39.1
480.34192	5.1
481.32123	1.5
523.31995	1.9
530.79919	1.0
641.39111	100.0
642.39514	20.6
685.38025	36.2
686.38391	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	685.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.4
59.77778	0.7
61.31130	0.8
61.98834	41.6
62.55083	0.8
63.99252	0.9
70.64053	0.8
71.01395	1.4
75.00893	1.1
85.02945	0.8
85.54670	0.9
88.98840	1.6
97.06604	1.0
98.20624	2.3
111.08191	1.7
123.13940	0.8
137.09715	1.5
147.04527	1.8
149.06062	1.5
150.06874	29.1
151.07335	1.4
155.10794	1.0
157.08717	1.4
162.06850	0.9
163.07646	11.8
164.08452	7.5
165.05621	2.0
177.09175	1.3
179.07239	0.8
179.10767	12.8
201.11307	2.1
229.16158	0.9
241.85548	1.0
267.06607	1.7
281.08298	1.2
282.08893	1.0
295.09894	1.1
309.11075	1.1
311.22498	1.6
313.20273	6.7
314.07938	1.7
320.20020	2.2
325.20316	1.3
339.12555	0.9
373.54486	0.9
460.32635	1.3
475.30557	1.4
476.42490	0.9
491.16858	1.6
492.30905	6.1
493.31680	7.6
494.31857	1.1
504.30859	4.0
505.31744	6.8
506.18951	1.3
506.31903	1.6
521.21820	24.5
522.22333	4.4
522.32007	7.7
523.32977	5.6
579.65021	0.9
655.36816	1.3
655.51581	0.9
667.37427	4.2
685.38062	100.0
686.38458	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	685.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90552	1.4
58.00603	2.4
59.01134	2.0
59.01385	24.4
61.98806	2.1
62.83442	1.7
63.36782	1.4
70.63230	3.1
71.01384	23.7
73.02953	4.5
75.00856	1.9
83.01392	2.8
85.02943	4.9
87.00888	6.2
89.02450	21.0
95.01350	1.8
97.02958	5.6
101.02453	19.0
109.02962	4.8
113.02438	8.2
119.03523	5.6
125.02476	9.2
143.03482	2.5
145.13567	1.6
146.86925	1.8
149.38304	1.9
161.04587	3.9
179.05568	3.3
221.06514	1.9
227.20171	72.1
228.20468	6.3
235.08168	11.1
237.51886	1.6
253.09100	1.8
287.07733	4.3
305.08755	2.0
379.34509	1.7
397.13513	100.0
398.13800	6.7
403.21225	1.7
415.14526	30.4
416.14609	2.0
490.88300	1.6
493.92322	1.6
525.47272	1.8
625.34515	6.6
685.40479	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	685.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.1
59.01132	2.3
59.01386	25.2
61.98829	4.7
69.03453	4.1
69.29114	1.6
71.01382	7.1
71.53020	3.3
75.00853	2.3
78.95901	2.6
85.21033	1.7
89.02444	3.8
101.02438	5.0
111.55767	1.6
121.10291	1.8
149.09659	1.8
151.11037	1.7
153.09221	2.8
161.04639	2.4
165.05592	4.2
165.09172	6.3
166.05911	1.9
167.10744	3.0
170.31900	1.6
171.10284	30.7
171.11684	3.3
172.10545	2.0
179.14505	1.9
180.40715	1.7
183.10263	31.0
195.13940	7.7
205.12292	8.8
223.13397	100.0
224.13812	8.5
225.11288	12.4
235.08153	5.4
253.09268	10.3
277.18106	3.4
347.90543	1.8
437.32578	2.3
441.21085	3.2
449.32550	3.7
459.22339	16.1
461.20413	3.5
508.28607	1.9
545.19830	1.7
639.79297	1.7
641.38995	17.9
642.39319	3.9
685.40576	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66801	0.5
56.69700	0.6
57.03440	1.2
59.01137	0.6
59.01387	7.6
61.98818	1.7
69.03423	0.6
70.72076	0.5
71.01395	3.3
71.05001	2.4
73.02961	1.0
78.95938	0.8
81.03471	0.7
83.01372	0.6
85.02960	0.9
89.02451	2.7
94.08905	0.5
95.05033	0.6
97.02963	2.8
97.06597	2.8
99.00883	23.2
100.01208	0.9
101.02441	2.4
109.06605	1.1
110.03753	0.8
113.02438	1.4
119.03473	0.8
123.08173	1.0
125.02406	1.7
125.09727	7.6
125.80715	0.5
136.05316	0.7
141.34679	0.6
145.02985	0.5
145.10162	0.7
161.04544	0.8
163.11317	6.1
167.10651	0.6
171.10233	1.9
177.05553	1.8
179.14474	0.9
181.12337	12.5
182.12839	0.5
183.10326	0.8
195.13863	2.5
197.11778	0.9
199.13412	5.7
205.12331	2.2
207.10265	28.6
208.10568	1.4
211.13025	0.7
223.13414	12.7
224.13721	0.6
225.11331	43.7
226.11600	1.7
243.12366	31.2
244.12706	1.8
253.09250	1.8
276.92987	0.5
283.78561	0.6
293.17581	0.8
317.15790	0.6
419.20563	1.5
459.21866	0.7
461.20105	2.5
479.21362	8.8
480.21619	1.0
637.12793	0.6
662.90271	0.5
685.34375	100.0
686.34753	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.7
59.01096	1.4
59.01382	26.3
61.98815	1.1
66.78880	0.8
69.03458	6.1
69.49715	0.7
70.17835	3.3
71.01377	5.4
81.03469	0.8
82.45554	0.8
85.02960	1.1
87.00892	1.6
89.02466	5.3
95.05021	1.3
97.06567	1.0
98.20032	1.3
101.01875	0.8
101.02431	4.8
109.06620	1.9
109.57627	0.7
111.63145	0.7
113.02454	3.7
119.03479	0.7
121.06615	1.0
121.81402	0.7
139.11304	2.1
141.84489	0.8
145.05067	0.9
149.09703	1.1
151.11304	3.3
155.10767	4.2
160.04398	0.8
161.04567	2.7
161.13472	0.7
167.10762	3.5
171.10358	1.2
177.09224	18.0
178.09509	1.4
179.05695	1.3
179.14438	3.3
183.10272	70.4
183.13820	7.7
184.10631	3.6
193.12437	1.2
195.10272	36.7
195.13898	7.0
195.60112	0.8
196.10596	2.9
196.14236	1.0
205.12347	8.1
211.13402	100.0
212.13753	6.3
223.13403	89.1
224.13788	5.0
235.08261	5.0
253.09276	12.8
361.02536	0.8
371.22131	1.3
389.23425	1.7
397.13733	1.9
401.17746	1.2
419.19278	2.1
441.21136	2.3
447.22415	8.3
448.22934	1.0
459.22382	17.9
460.22769	2.1
607.31378	3.8
625.32025	4.4
685.39569	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27029	11.5
55.19328	11.0
55.67141	11.8
59.01372	39.5
61.98830	12.3
69.29104	9.9
71.01373	15.2
76.91026	11.4
101.02419	9.9
116.21874	9.7
125.02412	9.6
134.47960	8.9
197.11916	14.3
223.13339	16.9
251.20192	48.6
277.64688	9.4
279.74384	10.7
397.13559	100.0
410.62595	11.1
415.14502	27.6
568.38342	12.4
596.44226	12.1
653.43457	10.5
685.32318	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	685.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00583	3.8
59.01385	100.0
61.98845	14.0
69.03482	3.4
69.49658	16.1
71.01385	35.9
72.99318	6.9
73.02953	39.7
75.00877	3.9
80.03687	2.5
83.01410	5.4
83.05041	2.2
85.02953	17.8
86.00089	3.3
87.00882	14.1
87.04513	6.6
87.61718	2.2
89.02455	21.8
96.96069	2.9
101.02451	56.9
103.04041	18.3
113.02474	9.3
115.04046	4.8
119.03509	7.5
125.02438	3.6
131.03523	14.5
135.08144	12.1
136.05330	3.2
137.06026	3.5
143.03471	17.6
145.05081	6.5
150.06879	9.0
158.98897	2.4
161.02422	2.5
161.04597	5.0
162.06865	8.8
163.06143	75.1
163.07541	5.6
165.05602	10.3
170.57803	2.8
171.10252	5.5
176.08423	8.9
177.09200	7.1
179.07153	4.0
201.11327	12.2
205.07201	31.3
247.08199	22.3
259.09781	4.0
277.10803	11.5
291.12436	52.3
292.12772	6.1
305.13834	3.9
327.21695	10.1
333.13458	10.2
461.29022	3.4
463.30615	3.5
479.19412	3.6
479.30182	6.2
481.31665	7.8
523.32117	4.9
530.32355	3.0
667.37524	3.0
685.38190	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36300	2.3
52.00144	2.7
55.01877	4.5
58.00580	3.5
59.01382	100.0
61.98822	12.1
61.99105	2.3
66.92055	2.7
69.03460	3.4
69.45808	11.1
69.46233	12.3
71.01389	42.4
72.99304	9.0
73.02953	44.1
75.00861	5.9
83.01384	6.5
83.60241	2.4
85.02956	19.1
86.00068	3.1
87.00874	18.4
87.04514	5.4
89.02460	26.8
96.95992	2.6
99.00888	3.2
99.90704	2.5
101.02443	53.4
103.04025	17.8
113.02451	11.4
115.04023	6.2
119.03494	7.5
125.02431	5.2
131.03496	13.0
135.08141	10.4
137.06096	3.4
143.03532	15.1
145.02972	2.4
145.05070	7.3
149.06090	2.9
150.06850	8.8
161.04596	4.1
162.06859	11.1
163.06137	89.0
163.07538	5.2
164.04900	3.2
164.06387	3.8
165.05550	7.9
165.98734	2.4
171.10049	3.3
176.08403	11.5
177.09178	4.9
179.07179	4.0
201.11310	10.5
205.07155	25.0
247.08206	22.5
259.09705	3.5
265.09210	3.3
277.10846	11.0
290.22580	2.9
291.12418	53.1
322.52686	2.9
327.21796	8.0
333.13492	8.4
356.59366	2.8
461.29413	4.0
463.30548	3.4
479.19278	3.8
481.31778	6.3
487.30652	4.1
505.30975	2.9
523.29224	8.3
641.37122	3.1
685.38275	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19720	0.6
57.03447	5.1
59.01390	4.5
66.14122	0.7
69.03457	0.9
70.04108	2.5
71.01394	4.6
73.02950	1.2
85.02921	1.0
87.00862	2.1
87.59771	0.7
89.02449	2.3
95.05031	1.9
97.06596	14.2
101.02449	4.0
106.24221	0.8
113.02452	1.3
119.03506	0.9
123.08170	10.1
125.09728	85.6
126.10066	3.5
145.05045	1.3
152.99593	0.7
161.04553	1.7
167.14436	0.7
169.08687	2.0
175.68034	0.8
181.15979	3.1
187.09763	34.4
188.10098	1.5
209.15373	1.0
223.17046	6.0
235.08185	2.0
241.18027	0.9
244.18146	0.7
253.09337	3.5
277.21719	41.3
278.22070	4.5
368.53082	0.8
405.17722	5.3
423.18784	6.0
521.35162	0.9
683.40125	100.0
684.40479	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	683.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52161	0.4
57.03450	4.5
57.98803	0.5
59.01384	7.0
65.64108	0.4
69.03454	0.8
69.46383	2.3
69.46799	1.0
71.01377	4.8
72.99321	0.5
73.02943	0.7
78.95925	1.0
80.02709	0.6
81.03481	0.6
83.01362	0.7
83.05032	0.8
85.02956	0.7
87.00877	0.6
89.02452	5.0
95.01395	0.4
95.05067	1.1
97.06596	14.1
100.18501	0.5
101.02457	3.0
113.02428	2.1
119.03504	0.6
123.08177	7.7
125.09733	100.0
126.10085	3.6
141.01729	0.7
143.03438	0.8
143.10759	1.8
161.04549	1.0
169.08693	2.3
169.12416	0.5
179.05634	1.1
187.09763	73.2
188.10057	3.1
211.09752	0.7
230.99232	0.5
253.09270	1.9
261.13425	1.2
277.21732	15.4
278.22098	1.7
344.82266	0.4
405.17599	4.9
406.17679	0.4
423.18735	17.4
424.19031	1.3
683.40149	91.2
684.40491	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	683.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.8
59.01392	4.1
61.98830	6.2
68.93809	1.5
69.91831	7.9
78.95905	3.3
85.07496	1.7
85.41533	1.5
151.11235	4.1
152.99605	1.9
167.14444	3.7
169.12369	26.2
169.86330	1.7
181.15997	15.6
189.16986	1.5
195.17526	43.7
196.17867	2.0
209.15488	2.9
219.17630	1.5
223.17023	16.9
237.18610	68.1
237.22197	2.7
238.18959	7.3
239.16505	6.4
251.20079	7.9
253.94142	1.9
255.19658	3.1
281.17624	3.8
297.20313	2.4
311.22214	6.9
353.54431	1.9
355.21222	4.5
449.20041	2.0
683.40137	100.0
684.40387	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	683.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.9
59.01360	3.2
61.98829	7.9
71.60986	2.8
76.83338	1.6
82.05520	1.6
83.01361	1.7
99.92676	1.7
145.35701	1.7
155.35664	1.9
167.14420	8.1
181.09081	1.7
181.15991	39.7
182.16295	1.9
195.17542	39.5
196.17908	2.6
209.15497	8.2
219.17546	4.4
223.17026	52.8
225.14941	3.8
236.27335	1.8
237.18614	57.1
238.18987	4.0
239.16487	4.9
241.18077	3.8
244.02379	1.6
255.19550	4.4
267.16083	3.2
281.17374	1.8
297.20526	2.6
309.20996	1.7
311.22379	3.8
325.61646	2.0
341.19577	4.2
355.21292	3.4
418.07507	2.0
683.40131	100.0
684.40460	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	683.365
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74320	0.6
57.03446	0.9
59.01382	2.9
61.98815	1.9
66.07099	0.6
66.69263	0.5
69.87315	3.4
71.01370	1.9
85.02934	1.2
98.20692	0.6
101.02447	0.8
111.04529	0.6
111.08160	1.0
113.02492	1.0
119.62452	0.5
135.08153	2.1
136.05281	1.3
141.04434	0.5
149.06078	3.3
150.06873	47.6
151.07204	1.5
153.26318	0.6
162.06882	1.9
163.07658	25.6
164.08429	9.9
176.08345	0.6
177.09172	1.9
178.09976	1.3
179.10785	24.8
180.11229	0.7
183.10225	0.6
246.44720	0.6
259.36389	0.7
272.62769	0.6
290.24344	0.5
295.22864	2.3
297.17493	0.9
297.20737	13.9
298.20950	1.2
315.25381	1.4
329.21219	1.0
377.99246	0.6
407.20471	0.5
458.30328	2.0
459.31195	4.3
462.29883	1.5
476.31467	28.1
477.32156	33.5
478.32996	3.7
479.30112	1.0
481.71310	0.6
501.32208	1.5
570.49561	0.7
639.37488	100.0
640.37903	17.1
683.36749	4.5
684.36060	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.7
57.03452	0.8
58.00632	0.6
58.61790	0.6
59.01379	10.0
61.98829	1.6
69.03468	5.7
69.47639	5.4
71.01379	5.5
71.05013	2.7
73.02943	1.3
74.34233	0.5
75.00875	0.8
83.01408	0.9
83.05024	1.0
85.02951	1.4
87.00877	1.0
88.69017	0.6
89.02431	2.8
95.05018	0.7
96.96037	0.8
97.06549	0.7
98.20649	1.0
99.00878	1.1
101.02431	4.3
109.06553	0.9
113.02452	2.4
118.96813	0.6
119.03550	0.8
123.08141	1.4
125.02496	0.7
125.09706	2.4
135.08171	0.7
137.06096	1.2
151.11296	2.5
153.12845	2.2
161.04604	1.5
161.09711	2.9
163.07631	2.2
165.05571	5.3
167.10762	1.8
177.12953	0.7
179.10751	7.5
179.14383	0.9
193.56712	0.7
195.13916	4.9
196.14235	0.6
197.11833	78.2
198.12228	4.5
201.08116	0.6
205.12312	3.1
209.11903	1.4
211.13432	1.9
221.11845	0.7
223.09904	1.4
223.13387	18.4
224.13795	1.2
225.10988	0.9
225.84566	0.7
234.61563	0.8
235.13399	1.3
241.10858	4.0
253.09251	3.0
459.18713	1.5
477.19559	3.1
478.36044	0.8
479.33853	3.3
521.27808	0.8
683.32782	100.0
684.33173	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	683.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.2
56.60811	0.9
57.03462	5.7
58.00591	1.3
59.01382	25.9
63.50249	0.9
69.03459	4.5
69.62955	5.4
71.01388	18.2
72.99312	2.2
73.02948	2.7
75.00875	49.9
83.01396	2.8
85.02958	5.9
87.04534	3.4
89.02456	18.4
93.03465	2.3
95.01380	1.3
99.00865	0.9
101.02455	15.8
106.04218	1.2
113.02438	8.5
119.03561	5.7
119.05032	15.9
125.09720	8.6
126.10110	1.0
161.04543	1.0
161.09735	7.2
163.03981	5.0
169.08688	6.9
205.12331	5.1
227.09355	1.6
231.13908	9.1
249.14970	25.2
250.15237	1.7
283.02286	1.8
285.04004	2.3
300.02420	1.3
310.01135	1.6
311.02039	5.0
401.23456	10.2
402.23715	2.1
411.20294	11.8
419.24341	5.3
461.05243	2.9
528.91412	1.1
563.28772	12.7
564.28925	2.0
581.29700	64.8
582.29987	7.7
586.42950	1.1
607.10791	8.2
608.11212	1.4
609.12390	1.1
639.30237	100.0
640.30396	15.1
653.72345	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.2
57.03447	5.1
57.28968	1.2
59.01384	28.7
61.44541	0.9
61.98830	4.5
63.72483	1.0
69.03457	5.5
71.01386	24.3
71.61465	2.3
72.99306	2.8
73.02955	3.2
75.00880	60.3
83.01395	1.7
85.02974	7.6
87.00864	1.4
87.04521	4.5
88.98872	1.2
89.02444	13.4
93.03434	1.8
95.01410	1.8
96.96016	1.4
99.00878	3.6
101.02456	14.9
109.02899	1.2
113.02457	8.9
119.03540	7.8
119.05015	16.3
124.62675	1.2
125.09727	8.1
135.04503	1.9
145.02925	1.5
146.07480	1.5
148.05260	1.9
150.05661	2.1
161.02467	1.8
161.09697	7.9
163.04019	3.9
169.08742	5.0
180.83415	1.2
205.12332	5.5
206.12721	1.3
227.03409	1.5
227.09230	2.9
229.06102	4.0
231.13954	8.5
249.14960	26.4
255.11333	4.4
284.03323	2.3
285.03983	5.8
299.10352	2.8
300.02609	1.3
322.12875	1.2
341.11176	1.5
344.07675	1.1
401.23395	4.4
411.20209	14.1
412.20523	1.6
419.24347	3.1
478.17520	1.4
563.28552	14.5
564.28693	2.2
581.29694	57.6
582.30164	7.4
607.24005	2.3
639.30261	100.0
640.30695	17.5
665.22046	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	683.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41494	0.4
53.03680	0.4
57.03447	0.7
58.00602	2.1
59.01384	43.9
62.76619	0.4
71.01389	31.1
71.59956	0.6
72.01737	0.5
72.99315	1.6
73.02950	0.9
79.01094	0.4
82.50705	0.4
83.01389	1.0
85.02967	3.8
87.00883	1.8
89.02450	41.3
90.02785	0.5
95.01399	2.2
101.02452	16.2
102.02784	0.6
104.89825	0.4
113.02451	13.0
114.02772	0.7
119.03510	13.7
119.14863	0.5
131.03526	2.0
143.03525	3.5
149.04535	1.4
161.04553	3.9
173.13402	0.4
173.76511	0.4
176.79198	0.4
179.05618	16.4
180.06046	0.5
191.05434	0.4
341.10889	100.0
342.11230	7.3
420.13464	0.4
442.07520	0.4
532.10046	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44153	0.8
60.99311	19.3
74.12211	0.7
75.00883	1.4
75.81599	0.7
88.98814	100.0
89.99185	0.8
109.02953	0.9
149.02591	0.7
150.05614	1.4
151.00406	1.2
161.02472	1.6
166.04704	0.8
213.42256	0.8
225.52216	0.8
227.03496	8.9
228.03740	0.7
229.05185	1.2
237.03922	0.9
239.03691	0.9
255.02992	16.7
256.03549	1.8
257.04532	2.0
284.03275	29.6
285.03952	11.3
376.97446	0.8
384.39160	0.8
429.48352	0.7
532.32251	0.7
593.15137	57.0
594.15479	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	683.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.1
60.99310	18.7
61.42578	0.8
63.05067	0.9
68.25174	0.8
75.00856	1.4
88.98812	100.0
138.05142	0.9
138.78317	0.9
161.02438	0.9
163.00352	1.2
227.03484	7.9
229.05060	3.2
255.02989	15.5
256.03549	1.6
257.04688	2.1
284.03250	24.9
285.04031	33.9
286.04333	2.7
352.31708	1.0
401.78317	0.9
552.04950	1.0
560.19226	0.9
593.15094	64.2
594.15533	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	681.4181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65735	0.1
52.74266	0.1
54.10013	0.1
57.87092	0.1
59.01384	0.2
60.91938	0.2
61.98835	100.0
65.17867	0.1
69.43414	1.1
71.01391	0.3
78.95927	0.3
89.02476	0.2
101.02457	0.2
101.27719	0.2
102.96899	0.1
113.02480	0.1
117.46204	0.1
121.02989	0.2
151.11333	0.5
152.99687	0.2
165.02083	0.2
169.12349	3.4
213.11330	0.5
249.18640	0.6
253.09369	0.2
253.57709	0.2
277.21719	0.2
395.83960	0.2
431.19269	0.2
449.20407	0.3
508.31985	0.2
681.38525	3.2
682.39801	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46358	0.4
59.01387	1.1
59.46868	0.5
60.99310	19.5
61.98830	6.1
65.25813	0.5
68.94874	0.5
69.31654	3.0
69.32062	1.2
75.00895	0.7
88.98811	100.0
89.99167	1.0
108.77545	0.5
109.02913	0.5
119.05013	0.9
128.39688	0.5
145.02962	3.0
148.05402	0.7
150.06914	1.0
151.00391	0.5
163.04027	0.9
163.07616	0.7
179.10777	0.9
211.04005	0.6
223.13402	0.8
227.03470	6.0
229.05020	0.9
254.57912	0.5
255.02988	10.1
256.03705	2.4
257.04602	1.5
284.03244	15.2
285.04044	17.9
286.04318	1.4
508.32553	0.5
593.13062	37.2
594.13190	7.1
631.75232	0.5
683.36450	5.8
688.40356	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	2.7
57.46426	1.0
58.00588	1.5
59.01098	1.5
59.01382	30.0
60.01711	1.7
61.98824	3.1
69.03455	1.6
71.01382	12.5
71.62027	1.9
73.02926	3.1
83.01408	2.2
83.05025	2.2
85.02953	3.8
87.00848	3.3
89.02446	4.7
95.01369	1.8
97.02953	1.7
97.06596	2.8
98.05059	1.0
101.02441	7.1
108.04561	6.3
109.02956	9.1
110.03284	1.8
113.02449	3.7
119.03446	1.1
119.86169	1.1
122.02455	1.4
123.08133	1.9
125.09723	22.5
130.40677	1.0
145.05077	1.4
146.06128	2.2
153.93706	1.0
161.04597	2.3
165.05602	1.3
184.07693	1.2
204.17575	1.4
209.11835	5.2
211.13361	2.0
230.15540	6.1
235.08154	2.5
235.13396	1.4
244.17001	2.7
253.09329	7.2
256.17084	27.1
257.17441	2.3
257.44385	1.4
274.18057	2.8
281.27567	1.2
282.14975	5.9
300.16083	8.1
314.20557	1.1
353.65298	1.1
364.26416	1.9
382.27560	6.8
408.25540	6.4
426.26532	18.4
427.26700	3.3
444.27594	81.4
445.27740	11.0
462.28607	16.7
463.28741	3.5
465.83743	1.2
504.47495	1.3
536.32886	1.4
680.36481	100.0
681.36816	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	680.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73005	1.0
57.03439	2.9
59.01137	1.2
59.01388	16.5
61.98832	5.6
69.03443	3.1
71.01383	12.3
72.99290	1.2
73.02939	3.3
75.00897	1.1
77.15051	1.2
79.12801	1.0
80.05045	1.1
83.01394	1.8
85.02970	5.1
87.00890	2.4
89.02451	5.6
97.06579	4.2
99.00873	0.9
101.02443	6.9
101.28849	1.0
107.03780	2.0
108.04568	6.6
109.02943	1.3
110.01436	1.0
113.02438	4.6
119.03535	1.3
121.02945	1.1
123.08160	1.6
125.08787	1.5
125.09729	28.2
134.00357	1.0
139.02733	1.5
143.03520	1.2
146.06146	2.1
158.06035	1.5
161.04546	2.5
163.11316	1.3
165.05554	1.8
171.10266	1.3
204.17560	1.4
209.11819	16.3
211.13461	1.6
214.16072	1.5
227.12804	1.9
230.15535	5.7
235.08067	2.3
235.13429	7.4
244.17073	1.9
253.09285	10.2
256.17075	28.7
257.17511	1.5
274.18042	3.2
282.14987	5.9
300.16064	9.9
301.05945	1.0
364.26422	2.3
382.27695	8.3
400.28305	1.7
408.25586	7.6
426.26700	17.2
427.26804	2.5
443.24591	1.2
444.27570	98.6
445.27921	11.5
462.28589	14.1
463.29288	2.0
464.55603	1.3
518.31616	1.8
662.33368	1.4
680.36475	100.0
681.36688	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	680.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52734	0.3
53.96346	0.3
54.84655	0.4
57.01712	0.4
59.01387	3.6
60.47772	0.3
69.74388	1.5
69.74794	0.7
71.01378	3.1
73.02953	0.4
75.00877	1.2
85.02956	0.7
89.02458	2.7
89.29134	0.3
101.02442	1.5
104.05077	1.0
106.06634	100.0
107.06972	3.6
108.08194	1.2
109.02917	0.4
113.02484	1.5
117.79938	0.3
118.06640	1.1
119.03505	0.6
120.08235	0.6
121.54666	0.3
130.06627	0.8
132.04616	0.4
134.06088	0.5
146.06166	0.9
150.05614	70.1
151.05945	2.5
161.02444	0.4
162.05539	0.4
164.05821	0.7
164.07162	7.9
165.07516	0.6
174.05522	0.9
176.07130	0.4
192.06705	3.7
193.06900	0.4
194.04585	9.7
235.41341	0.4
236.05685	1.9
274.40927	0.3
277.15353	0.3
296.07910	0.3
341.10745	0.8
356.09778	1.9
415.27747	0.5
474.16141	2.4
518.15155	81.0
519.15558	9.5
520.34180	0.4
560.16254	5.0
561.15942	0.6
680.20142	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24964	0.9
57.03459	1.4
58.00589	1.5
59.01386	36.3
61.98824	3.5
69.03460	2.1
71.01386	32.9
72.99316	2.3
73.02958	5.6
75.00897	1.2
76.22388	1.0
78.95901	1.1
81.03484	1.6
83.01390	3.8
85.02959	7.6
87.00871	8.6
89.02455	32.4
95.01385	1.7
97.02932	5.1
97.72740	0.9
99.00861	2.3
101.02455	29.4
101.03954	0.9
103.37218	1.2
109.02927	1.3
113.02461	12.1
115.04022	1.3
119.03515	8.7
125.02461	11.2
131.03519	2.9
143.03493	5.8
161.04555	5.8
179.05634	6.4
221.06650	2.0
235.08229	14.2
253.09305	3.5
263.07797	1.9
281.24869	100.0
282.25208	9.7
287.07672	3.4
305.08801	3.7
323.09717	2.3
379.12482	1.2
397.13516	84.4
398.13785	5.0
415.14572	32.7
416.14957	2.3
446.33679	1.1
663.52228	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51876	0.3
58.66863	0.4
59.01382	4.1
69.10273	0.3
71.01389	3.5
71.61797	0.5
75.00871	2.0
75.90290	0.3
83.01389	0.3
85.02953	1.3
89.02451	2.8
93.03487	0.4
95.01378	0.4
98.39519	0.3
101.02444	1.5
104.05079	1.3
106.06634	100.0
107.06977	3.2
108.08215	1.0
109.02964	0.8
113.02473	1.8
118.06662	1.4
119.03490	0.6
120.08176	0.5
125.02454	0.8
130.06607	0.9
131.03592	0.4
132.04567	0.4
134.06091	0.6
136.67500	0.3
143.03482	0.3
146.06102	1.1
150.05615	71.6
151.05998	2.3
153.59555	0.3
161.02431	1.3
162.05617	0.4
164.07176	8.7
165.07501	0.4
170.94942	0.3
174.05597	1.0
176.07158	0.4
177.01936	0.6
177.05579	0.5
179.05591	0.6
191.03693	0.4
192.06680	4.5
193.27460	0.3
194.04599	10.6
195.04919	0.5
195.88107	0.4
213.05772	0.4
236.05663	2.1
253.04874	0.4
269.04559	0.8
272.96194	0.4
279.03064	0.4
296.07776	0.8
356.09778	1.7
436.36060	0.3
474.15952	2.1
518.15161	79.5
519.15503	8.4
560.16162	5.0
561.16919	0.4
637.18079	0.5
680.20831	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.4
59.01379	42.4
61.98832	5.5
69.03459	11.6
69.26350	23.3
69.26763	4.8
71.01384	18.8
72.99280	2.9
73.02931	3.8
75.00887	3.9
81.03448	4.2
83.01413	2.7
83.05018	8.2
85.02962	7.3
87.00886	6.9
89.02453	13.1
90.94299	2.4
93.03447	3.3
95.01395	4.5
95.05035	7.0
97.02963	11.7
97.06622	4.8
99.00879	3.3
101.02454	14.9
107.05024	3.4
109.06596	35.2
111.00780	2.1
113.02448	8.0
116.92858	2.6
119.05017	3.1
121.06573	3.8
125.02430	4.2
125.09711	7.3
135.08170	9.5
145.05075	4.0
145.06548	3.9
153.09193	3.1
159.08154	2.9
161.04582	4.3
161.09647	3.3
163.11270	16.6
167.10783	5.3
171.10263	5.1
181.12383	3.2
185.11830	25.0
187.11264	3.7
191.14455	6.1
197.11790	3.9
207.10268	63.3
208.10539	4.1
209.11707	3.9
211.11275	2.3
211.13396	7.3
213.12814	3.1
217.12302	4.0
225.11313	34.8
235.08253	5.3
235.13431	27.2
253.09384	16.2
257.11859	3.5
273.14880	4.2
275.12814	4.8
313.18207	2.7
339.17963	3.6
363.23471	4.7
381.24429	8.2
389.20837	5.8
397.23773	9.8
407.22226	21.8
408.22989	3.4
415.24777	7.3
425.23383	49.7
426.23801	5.7
443.18954	3.5
443.24289	22.9
461.19983	9.0
633.32416	5.6
635.31635	3.6
643.31238	14.0
661.32324	100.0
662.32556	16.5
679.33099	32.3
680.33813	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	679.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.0
59.01383	40.4
61.98819	3.9
65.03948	2.6
69.03453	9.7
70.19112	3.3
70.19489	3.8
71.01391	20.1
72.99313	4.1
73.02927	6.2
75.00868	4.4
81.03445	6.9
83.01398	3.3
83.05022	6.4
85.02951	7.2
87.00890	6.6
89.02444	13.4
90.79410	2.1
95.01385	3.5
95.05018	5.1
97.02956	6.7
97.06587	3.7
99.00861	2.5
99.25421	2.3
101.02457	18.8
107.05025	2.7
109.06603	39.3
110.03780	3.1
113.02446	10.4
119.03474	2.3
119.04996	2.2
123.08170	3.8
125.09719	9.9
131.04996	2.7
133.06567	3.4
135.08168	9.7
145.05058	5.1
145.06622	3.6
149.72202	2.3
153.09193	2.4
159.30898	2.2
161.04500	5.4
161.09692	5.2
163.11293	19.2
167.10805	6.2
171.08185	3.0
171.10287	7.8
181.12318	5.3
185.10281	3.0
185.11842	21.9
187.07674	4.7
187.09650	2.5
187.11284	4.8
191.14362	4.5
197.11777	7.5
207.10274	72.3
208.10509	3.1
209.11786	3.5
211.13347	12.1
217.12402	3.4
225.11328	37.5
235.08221	9.3
235.13342	27.9
253.09312	17.2
257.08221	2.7
257.11844	5.9
273.14914	3.6
275.12869	4.3
303.93250	2.4
311.16235	2.6
312.40671	2.2
320.22131	2.2
363.23279	4.4
379.22998	2.7
381.24371	7.9
389.21170	3.4
397.23917	7.0
407.22351	26.9
408.22287	2.9
415.24808	9.5
425.23367	57.8
426.23724	8.1
436.26804	2.4
443.19101	4.8
443.24356	21.9
444.24933	3.4
461.20102	10.2
517.28076	3.6
520.72052	2.7
549.37903	2.6
633.32837	7.8
635.30634	4.6
643.30988	12.8
644.31415	4.2
651.34332	3.4
661.32355	100.0
662.32526	16.2
679.33051	35.3
680.33722	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	679.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63563	1.7
57.03423	4.9
58.00603	2.0
59.01097	2.3
59.01385	41.3
60.62473	1.8
61.98825	3.9
69.03463	11.2
69.17961	1.8
71.01389	21.7
71.41906	4.6
72.99295	3.7
73.02943	5.5
81.03458	5.1
83.01399	4.7
83.05017	5.4
85.02943	7.2
87.00879	7.0
89.02450	8.4
93.03461	12.7
94.82622	1.7
95.01378	2.2
95.05035	5.5
96.03236	1.8
97.02962	7.2
97.06548	2.2
101.02450	15.9
106.04245	2.0
107.05040	3.4
109.06600	29.4
113.02451	9.4
118.99826	2.8
119.03515	2.5
119.05029	5.5
121.02972	2.5
121.06571	4.8
123.04556	2.5
123.08186	3.5
125.09737	10.4
130.04266	2.3
131.05034	5.9
133.06583	6.1
135.04497	2.0
135.08151	4.9
142.02693	2.2
145.02951	3.8
145.05095	2.0
145.06551	5.7
147.04521	9.2
149.06056	3.9
159.04597	4.2
161.04541	4.3
163.11314	11.5
167.10811	9.3
171.10272	4.5
175.11169	2.7
177.05592	41.5
178.05872	2.4
179.10706	2.1
181.12285	2.9
185.11852	16.2
187.11317	3.3
189.09169	2.9
189.12912	2.5
191.10701	2.8
191.14590	2.1
203.33124	2.0
207.10275	53.0
208.10538	3.8
209.11786	6.0
211.13379	2.8
213.12761	3.4
217.12248	3.2
225.11333	31.3
226.11650	2.1
235.08232	9.8
235.13361	26.7
239.10641	3.1
249.27968	2.2
253.09375	14.5
255.14188	2.2
257.11838	5.8
265.03574	2.5
271.13242	2.0
273.14938	3.2
275.12817	2.8
297.14868	3.2
299.16171	2.0
311.16486	2.6
334.90237	1.8
363.23322	5.0
373.75507	2.3
379.22272	2.2
381.24344	5.3
389.21304	5.5
397.23703	4.3
399.21414	3.2
399.25958	2.4
407.22318	29.1
408.22604	5.2
415.24799	6.9
425.23328	64.7
426.23560	8.9
443.19150	3.5
443.24442	29.7
461.20294	9.3
499.27200	2.3
507.08017	2.1
527.33472	2.0
633.32886	7.0
635.30859	4.2
643.31299	16.4
644.31512	3.9
651.33600	3.1
661.32312	100.0
662.32312	17.3
679.33282	24.0
680.33160	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	679.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.0
57.03441	1.6
58.00577	0.9
59.01386	24.2
61.98829	1.3
71.01389	22.8
71.60782	0.7
72.99302	1.6
73.02956	7.2
75.00865	1.5
79.15663	0.5
83.01379	3.7
85.02444	0.6
85.02959	10.4
86.00072	0.5
87.00866	2.1
87.04514	3.1
89.01919	0.7
89.02457	9.9
95.01398	1.6
96.96073	0.6
97.02975	0.5
99.00893	2.7
101.02451	18.8
103.03977	0.6
113.02456	9.0
119.03524	4.1
119.04950	0.6
123.04556	0.6
125.02465	0.5
131.03450	0.9
143.03526	1.1
159.02965	1.0
161.04568	2.2
163.06139	1.8
173.03574	0.8
203.95335	0.4
207.17522	0.8
212.98773	0.6
251.16519	1.3
269.17526	2.6
293.17654	0.9
354.45068	0.6
371.24545	1.1
409.97986	0.5
413.21967	2.0
431.22852	100.0
432.23175	10.3
455.22964	2.8
470.19354	0.7
473.24057	5.0
474.24475	0.7
515.25604	0.6
516.19977	0.8
524.51251	0.5
533.27661	1.0
563.28833	1.2
583.30396	0.6
635.26996	0.7
650.23260	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37941	2.0
54.83700	2.5
55.30261	2.2
57.03452	4.4
57.28620	2.0
59.01387	41.7
61.98827	7.4
69.03451	11.1
71.01385	22.7
71.41343	3.4
71.92661	2.4
72.99299	3.1
73.02919	5.2
81.03473	3.3
81.08498	2.5
83.01406	3.0
83.05029	8.7
85.02960	7.8
87.00892	7.5
89.02457	10.4
93.03473	2.9
95.01393	2.3
95.05000	7.6
97.02961	5.8
97.06558	3.3
98.60089	2.2
99.00867	2.7
101.02454	16.3
108.02193	2.5
109.06608	36.3
113.02462	8.2
119.05022	3.1
121.02911	3.0
121.06635	4.0
125.02417	2.6
125.09703	8.5
125.42374	2.5
125.85371	2.4
131.05063	2.4
133.06580	3.9
135.08163	7.8
145.06558	2.9
161.04579	6.0
161.09779	2.5
163.11305	16.1
167.10765	5.9
171.10300	3.2
181.12338	4.5
185.11893	20.8
187.11429	4.0
207.10266	61.4
209.11853	6.3
211.13376	13.4
213.09352	2.5
213.12990	2.8
217.12328	3.5
225.11316	33.4
235.08226	8.9
235.13376	30.5
253.09303	13.1
257.11865	8.5
273.15088	5.8
275.12930	3.0
295.15518	3.4
363.23126	4.7
381.24420	8.1
389.21277	7.5
397.23792	8.8
399.25473	2.9
407.22247	29.3
408.22571	4.9
415.25021	8.1
425.23346	57.5
426.23721	6.9
431.85748	3.2
443.24454	21.7
444.24573	2.9
461.20105	9.2
498.33133	2.7
499.26959	4.0
633.33051	8.8
635.31567	3.8
643.31818	13.9
661.32318	100.0
662.32617	17.7
679.33081	27.7
680.34137	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	677.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.4
57.03458	1.1
58.00595	2.1
59.01384	37.8
60.01720	0.4
64.52969	0.2
67.01895	0.3
68.99824	0.4
69.03468	2.1
69.36005	0.7
69.36435	1.2
71.01387	35.2
72.01730	0.4
72.99308	3.2
73.02541	0.2
73.02953	6.0
75.00861	1.2
81.03457	1.5
83.01389	4.0
85.02958	7.2
86.00127	0.4
87.00883	8.9
87.04527	0.4
89.02451	30.3
90.02761	0.3
91.04028	0.4
92.32705	0.2
95.01389	2.5
97.02956	6.1
97.03555	0.4
99.00891	2.2
99.04541	0.4
101.02449	29.3
102.02789	0.5
103.00397	0.4
103.04005	0.4
104.89835	0.2
109.02949	0.9
111.00889	0.7
111.04515	1.3
112.34820	0.2
113.02459	14.5
114.02766	0.2
115.04034	0.8
119.03510	10.1
121.02962	0.6
123.00927	0.4
123.04514	0.4
123.11091	0.2
124.01698	0.3
125.02454	12.9
126.02774	0.4
127.04005	0.5
129.01959	0.2
131.03528	1.5
133.05116	1.0
137.02501	0.4
139.04005	1.2
141.01968	0.6
143.03525	5.5
149.04572	1.0
151.04092	0.2
155.03590	0.2
161.04565	6.8
167.03517	0.6
169.05078	0.5
171.02975	0.3
173.41760	0.2
179.05624	6.2
185.04556	0.7
199.06136	0.7
203.05629	0.4
217.07190	1.1
219.05128	0.4
221.06677	2.5
235.08229	14.2
236.08551	0.6
245.06682	0.8
253.09248	3.1
261.22235	0.5
263.07730	1.5
272.57565	0.2
277.09280	1.1
279.23288	100.0
280.23645	9.8
287.07709	3.7
288.08289	0.2
293.24759	0.5
305.08780	3.9
323.09851	1.9
361.11490	0.5
379.12421	1.1
397.13507	75.9
398.13797	6.3
415.14581	31.9
416.15030	2.5
630.73846	0.3
645.45911	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99361	0.2
59.01374	0.6
66.94576	0.2
69.72640	1.2
71.01374	0.4
75.00853	0.5
81.03465	7.6
83.05034	18.8
84.05350	0.5
98.20519	0.3
100.07684	0.3
107.06150	0.6
108.04539	0.5
117.06824	0.2
117.08380	0.2
125.07224	1.2
126.05605	0.6
143.08333	0.5
161.02400	0.2
207.15065	1.2
224.17679	2.7
225.16087	13.1
226.16406	0.9
242.18765	0.8
250.15594	0.3
309.21771	1.0
324.26636	0.5
333.23151	0.9
339.27454	0.3
341.29202	0.7
367.27155	1.0
385.28247	0.3
407.34045	0.4
429.21164	0.4
433.31784	1.4
450.34576	1.5
451.32980	5.8
452.33157	0.8
503.82095	0.2
550.43164	0.9
559.38849	0.2
582.60968	0.2
593.44031	0.8
659.48785	1.5
677.49713	100.0
678.50018	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.282
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00602	1.1
58.41451	1.1
58.79124	0.9
59.01383	100.0
68.54981	1.0
71.01391	24.0
71.61260	1.8
71.79247	0.8
73.02966	4.8
75.00874	16.1
78.09808	0.9
83.01373	2.2
85.02957	6.4
87.00896	1.2
89.02444	7.5
92.88766	1.1
93.03441	2.7
99.00874	2.2
101.02457	12.6
106.06628	26.0
109.02953	5.4
113.02443	5.6
118.06677	1.2
119.03513	1.3
119.05038	3.0
121.02951	2.8
125.02428	2.2
129.01955	6.5
135.04486	2.6
143.03572	1.4
145.02950	3.7
147.04538	9.8
148.07608	1.1
150.05618	18.3
153.78871	1.0
159.03110	1.1
159.04520	3.5
161.02415	3.9
161.04585	7.8
164.07104	2.8
174.05594	1.1
177.01918	1.6
177.05519	2.1
179.05612	1.3
192.06664	1.9
194.04597	2.9
206.30714	0.9
210.06825	2.0
211.07631	11.1
211.30330	1.1
226.06392	2.7
235.11858	18.0
237.04115	1.0
237.09395	1.5
241.08806	1.1
253.08719	1.1
269.08173	6.0
277.12888	9.6
283.09735	1.3
293.08740	2.3
301.03503	1.7
313.07217	2.3
321.15375	1.8
342.45865	1.1
357.15607	3.2
417.06891	1.1
463.09213	1.4
491.96646	1.0
501.09689	1.0
516.94861	1.1
518.15216	21.4
560.16083	2.2
577.19287	3.3
635.19708	5.6
636.20258	1.4
705.24384	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.7
57.03454	1.0
58.00602	0.9
59.01387	19.1
60.01710	0.5
60.33438	0.5
69.71423	1.0
69.71829	1.6
71.01387	19.5
71.05022	0.5
72.99305	1.2
73.02956	7.0
75.00872	0.9
83.01392	3.6
85.02965	9.9
87.00881	1.5
87.04515	2.2
89.02453	9.0
89.92956	0.4
91.37344	0.4
95.01389	1.3
99.00864	2.5
101.02452	19.0
101.06071	0.6
113.02463	8.2
119.03529	3.1
143.03448	0.7
159.02995	1.1
161.04526	1.7
179.05653	0.9
187.83688	0.4
269.17584	0.7
413.21893	1.0
431.22870	100.0
432.23224	10.6
455.22806	1.7
473.23892	3.2
626.99133	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.7
57.03444	1.3
58.00598	2.6
59.01381	51.4
60.01715	0.5
67.01893	0.3
68.99825	0.7
69.03452	3.1
71.01383	42.4
72.01720	0.7
72.99306	3.1
73.02949	7.7
74.03281	0.2
75.00868	1.0
81.03461	2.4
81.55696	0.2
83.01386	5.5
83.05019	0.3
84.02185	0.2
84.67278	0.3
85.02955	9.7
86.00101	0.3
87.00875	10.6
87.04536	0.4
89.02446	39.9
90.02776	0.4
91.04016	0.6
93.03484	0.3
95.01389	2.7
97.02950	7.5
99.00880	2.6
99.04524	0.8
101.02445	36.1
102.02783	0.5
103.00375	0.4
103.04020	0.5
109.02953	0.8
109.76064	0.2
111.00883	0.8
111.04505	1.4
112.01717	0.3
113.02451	18.4
114.02773	0.4
115.04003	0.9
119.03503	11.3
121.02965	0.5
122.98878	0.2
123.00880	0.4
123.04533	0.5
124.01682	0.5
125.02448	15.1
126.02738	0.3
127.04011	0.6
127.07671	0.3
131.03505	2.1
133.05037	1.3
139.04028	1.0
141.01974	0.6
143.03502	7.2
149.02463	0.4
149.04550	1.3
157.05107	0.3
161.04567	8.5
162.04926	0.4
167.03491	0.9
169.05014	0.5
171.03047	0.5
178.23936	0.2
179.05614	8.5
181.05078	0.3
185.04575	0.8
199.06163	0.7
199.25441	0.3
203.05658	0.4
217.07210	1.2
219.05197	0.5
221.06714	2.8
233.22754	0.5
235.08228	15.4
236.08582	0.6
245.06660	0.9
253.09264	4.4
259.08319	0.3
259.20694	0.4
263.07672	1.6
275.20044	0.4
277.09689	1.1
277.21713	100.0
278.22061	9.4
278.25204	0.3
287.07825	3.8
288.08109	0.3
291.23489	0.3
305.08807	4.2
306.09070	0.3
318.64429	0.3
323.09766	2.2
361.11508	0.7
379.12668	1.1
397.13495	81.8
398.13824	6.8
398.19098	0.4
415.14566	37.0
416.14859	2.8
568.98651	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.7
57.03452	1.4
58.00602	2.5
59.01382	48.7
60.01719	0.6
62.54791	0.1
64.54108	0.1
67.01867	0.2
68.99829	0.7
69.03466	2.5
70.26941	0.2
71.01385	42.6
72.01726	0.5
72.99313	3.4
73.02953	7.2
75.00878	0.9
81.03458	1.9
83.01394	4.5
83.05032	0.4
85.02956	9.2
86.00096	0.4
87.00878	11.2
87.04510	0.5
89.02448	36.8
90.02781	0.6
91.04000	1.1
93.03475	0.6
95.01397	3.4
95.05029	0.4
97.02953	7.4
98.03338	0.2
99.00898	2.4
99.04529	0.5
101.02446	34.4
102.02770	0.7
103.00433	0.2
103.04009	0.5
109.02954	0.7
111.00879	0.8
111.04530	1.5
112.01672	0.3
113.02454	16.9
114.02762	0.4
115.04015	0.9
119.03506	11.4
121.02959	0.6
123.00917	0.3
123.04502	0.4
124.01650	0.5
125.02449	15.0
126.02790	0.3
127.04009	0.6
127.07654	0.3
129.01970	0.3
130.19992	0.2
131.03519	1.8
133.05092	1.4
137.02441	0.4
139.04045	1.2
141.01984	0.7
143.03505	7.1
149.02457	0.3
149.04582	1.1
151.04012	0.3
157.05072	0.3
161.04553	8.5
162.04926	0.3
167.03477	1.3
169.05086	0.5
171.02954	0.4
177.94812	0.2
179.05617	7.2
180.05980	0.3
181.05026	0.4
185.04500	1.0
199.06119	0.6
203.05577	0.4
217.07146	1.3
219.05122	0.6
221.06667	2.8
233.22737	0.5
235.08223	16.8
236.08568	0.8
245.06721	1.0
253.09273	4.0
259.20660	0.4
263.07764	1.8
265.77118	0.2
275.20139	0.4
277.09467	1.3
277.21713	100.0
278.22061	9.2
287.07745	3.6
291.23334	0.3
293.62485	0.2
305.08792	4.1
306.09348	0.2
323.09753	2.0
361.11505	0.8
379.12427	1.2
382.14670	0.2
382.19836	0.2
397.13492	81.7
398.13794	6.9
415.14563	35.7
416.14905	3.0
447.00424	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.5
59.01385	11.6
61.98824	3.0
70.22208	4.5
78.95908	1.9
83.01383	2.7
89.02416	2.2
89.18974	1.6
98.19933	2.2
105.75629	2.0
125.02439	2.2
167.14388	2.8
191.14384	4.0
211.13234	2.0
219.17632	2.7
225.18521	2.4
229.90727	1.9
231.17537	3.1
233.15425	5.1
237.18729	2.1
275.16510	7.5
277.17944	3.5
277.20969	1.7
319.15524	4.2
355.09464	2.3
427.35757	2.6
471.34741	2.0
489.35556	3.3
511.34595	2.1
513.35870	4.2
532.75391	1.9
557.35016	4.1
601.33435	3.0
631.38629	4.1
675.37500	100.0
676.37744	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	677.375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.4
57.03444	1.3
58.00596	1.9
59.01382	43.7
61.98833	0.4
67.01877	0.4
67.21991	0.3
68.99805	0.5
69.03452	2.0
69.45972	2.4
70.42485	0.3
71.01385	37.4
72.01742	0.3
72.99307	3.3
73.02950	6.1
75.00889	1.3
81.03451	1.8
83.01389	4.2
83.05018	0.4
85.02953	8.8
86.00095	0.5
87.00878	8.8
89.02447	32.5
91.04018	0.6
95.01386	2.2
97.02956	6.8
99.00877	2.1
99.04534	0.4
101.02448	30.5
102.02774	0.4
103.91968	0.3
109.02959	0.7
111.00894	0.8
111.04532	1.0
113.02452	15.1
114.02849	0.4
114.83289	0.3
115.04058	0.6
119.02646	0.5
119.03506	9.6
119.04305	0.6
119.04956	0.7
120.03847	0.5
121.02982	0.7
123.04549	0.5
124.01723	0.5
125.02451	13.6
126.02768	0.4
127.04011	0.5
131.03484	1.7
133.05093	0.9
133.95912	0.3
137.02507	0.4
139.04031	1.1
141.01944	0.6
143.03505	6.2
149.02567	0.3
149.04549	1.2
161.04556	7.8
163.03986	0.4
167.03525	1.0
169.05077	0.5
175.06174	0.3
179.05615	7.5
179.41336	0.3
181.05112	0.4
185.04535	0.6
193.65706	0.3
197.28053	0.3
199.06023	0.5
217.07155	1.0
219.05186	0.5
221.06714	2.5
235.08223	14.0
236.08563	1.1
245.06639	1.1
253.09282	3.9
263.07742	1.9
277.09344	1.1
279.23285	100.0
280.23627	10.2
287.07736	3.2
305.08798	3.5
306.08908	0.4
323.09860	1.5
361.11298	0.7
379.12509	0.9
397.13498	77.6
398.13757	6.2
415.14575	32.6
415.20294	0.7
416.14941	2.5
425.55478	0.4
433.32501	0.4
623.81354	0.4
627.40564	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.98834	16.7
63.87323	3.8
70.85223	5.3
70.85548	5.5
71.01373	11.3
85.02955	5.4
87.04520	5.9
101.02449	8.9
116.05045	5.7
118.06692	5.3
120.08185	6.3
121.02926	5.1
124.07656	9.7
134.06096	23.9
144.04584	9.5
152.07158	7.9
156.66010	4.1
158.09727	12.3
161.04645	5.1
162.05612	10.0
170.02403	5.3
174.05545	6.8
176.07222	26.2
186.01889	5.6
188.03554	40.4
201.10393	20.3
201.11937	4.1
202.05090	17.1
214.01485	45.8
214.12321	8.0
220.06157	38.8
246.04138	43.2
253.13379	10.0
255.15143	8.8
257.12939	36.4
279.11429	4.1
306.12216	5.9
310.19476	6.8
315.13651	6.3
317.15201	6.6
323.10352	14.4
336.17102	4.6
336.86417	4.3
342.14685	16.3
349.19092	7.1
354.18173	6.4
372.19226	12.6
392.19827	5.6
410.20932	7.6
428.21936	73.6
429.22025	7.1
454.19714	8.5
557.23840	9.1
559.00446	4.4
581.24146	30.5
582.23071	5.0
599.24805	9.9
607.21704	8.4
615.38470	9.2
625.23041	66.2
626.23273	12.9
643.23749	26.4
644.24731	6.7
657.24518	5.0
675.41254	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	675.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35083	17.4
59.01376	100.0
63.03006	16.1
64.23709	19.5
70.13338	15.7
71.40908	27.4
72.13349	15.9
79.12782	15.4
90.24933	18.4
101.02441	16.9
113.02392	19.8
137.81578	15.8
192.69710	16.3
197.11783	73.6
208.43175	15.8
223.13319	52.2
239.55304	19.3
257.06995	18.3
280.75745	16.3
414.72501	17.1
675.31042	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	673.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.6
57.03450	5.7
58.00590	4.2
59.01385	54.3
61.98834	13.6
70.63443	6.1
70.63778	3.5
70.89481	2.5
71.01385	41.6
72.99313	4.8
73.02953	24.1
75.00874	6.8
83.01401	6.3
85.02958	33.7
85.06605	2.4
87.00879	57.3
87.04518	8.5
89.02440	14.7
95.01370	6.3
97.06592	7.2
98.20650	2.5
99.00896	8.0
99.04513	2.4
101.02454	42.4
109.06577	3.8
111.00874	3.1
111.08164	3.3
113.02450	24.2
113.06120	9.4
113.26447	2.8
117.01945	7.1
123.08154	10.0
125.02469	5.9
125.06083	2.7
125.09744	27.3
127.11340	3.3
137.09706	4.2
138.21564	2.4
139.07678	6.9
141.01910	2.6
153.09219	10.6
155.10800	12.1
157.08681	9.0
159.02968	2.8
161.04492	13.0
163.11388	2.8
171.10275	21.2
176.33339	2.7
183.10338	12.8
185.11778	6.1
187.09743	4.9
199.13353	5.5
201.11327	100.0
202.11690	5.8
207.10333	6.5
209.11874	20.5
210.12080	3.0
211.13412	21.5
215.12874	31.5
225.11356	10.2
227.12939	13.1
243.12344	9.2
253.09325	6.8
265.17966	3.1
311.22238	4.8
323.22223	3.2
419.28046	3.4
423.34952	3.1
437.29218	14.9
438.29388	4.9
449.29114	48.3
450.29672	4.2
467.23892	4.7
467.30197	56.9
468.30319	7.6
474.17175	2.7
511.29755	4.7
582.96680	2.9
585.40387	70.4
586.40295	13.4
611.37885	7.3
629.39252	49.4
630.39215	11.4
637.31842	3.7
673.34509	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	674.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08159	0.2
59.01373	2.1
61.98831	0.5
62.96391	0.3
69.53669	2.0
71.01391	1.3
73.02921	0.3
78.95906	100.0
85.02969	0.6
87.00860	0.3
89.02462	0.5
96.95988	0.8
96.96964	5.8
101.02422	0.6
113.02424	0.5
119.05078	0.3
151.03879	0.3
152.04744	0.6
152.99538	0.6
171.00641	62.5
172.00974	1.0
209.11783	1.1
210.12132	0.5
227.12828	1.2
228.13170	0.6
253.21681	0.3
285.03952	0.5
296.25900	0.7
417.31409	0.3
502.30219	12.6
503.30786	1.4
512.29565	0.3
513.30115	0.3
520.31073	0.4
631.31622	0.5
673.40814	0.5
674.31110	9.5
674.40155	0.9
675.31738	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08948	0.6
57.03440	1.0
59.01364	1.1
71.01382	1.1
71.05016	1.7
71.19925	1.3
73.02952	4.7
83.04996	1.1
85.06570	2.3
96.96037	0.6
97.06602	2.1
99.04449	0.7
99.08186	5.2
107.05012	1.6
107.08686	1.7
111.04524	1.6
115.03982	2.7
119.05016	2.2
123.04531	1.0
125.06087	17.2
125.09716	1.2
133.06583	1.2
135.08157	1.2
143.07146	15.3
144.07501	0.8
145.02948	2.4
151.04062	1.8
151.07716	1.7
159.11687	0.7
168.04263	2.4
169.05020	2.0
186.05431	0.9
187.06119	1.3
187.11298	4.9
200.76169	0.7
205.12344	7.0
219.13901	2.1
229.06136	1.6
231.10266	5.8
249.11377	2.7
263.12888	9.8
281.14041	1.6
289.10913	1.6
293.10272	1.4
307.11932	10.2
325.12924	100.0
326.13181	7.6
327.21756	1.2
349.11841	1.6
351.49112	0.8
383.24347	1.6
404.11374	0.7
469.32193	1.6
495.29248	2.1
513.30707	2.0
675.37366	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	673.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	4.8
57.03442	7.5
58.00596	4.7
59.01383	56.1
61.98836	20.5
71.01387	51.4
71.61812	2.6
72.99309	3.8
73.02959	26.0
75.00871	4.5
83.01381	11.6
83.05025	2.2
85.02961	27.8
87.00880	73.3
87.01405	2.4
87.04515	7.3
89.02451	9.8
93.17608	2.5
95.01381	5.4
95.05031	2.2
97.02943	4.1
97.06612	5.3
99.00871	6.3
101.02454	40.9
109.06596	2.5
111.00870	7.1
113.02474	22.8
113.06111	7.7
117.01945	3.7
123.08157	9.1
125.02417	6.6
125.06065	5.0
125.09724	22.3
134.18710	2.1
137.09744	3.4
139.07651	7.2
153.09189	7.4
155.10835	10.5
157.08696	12.3
159.02977	3.3
160.36172	2.4
161.04541	10.2
163.11278	4.5
165.05617	2.7
171.10280	18.6
183.10262	14.7
185.11809	6.7
187.09738	4.4
197.11823	3.6
199.13396	3.8
201.09514	4.8
201.11342	80.2
202.11685	3.8
207.10234	5.9
209.11859	17.5
211.13435	22.3
212.76305	2.3
215.12917	27.0
225.11330	8.7
227.12901	8.7
228.13130	2.4
243.12263	7.0
253.09300	3.0
307.18863	2.9
311.22113	3.3
419.28494	3.5
423.34912	3.3
437.29218	18.2
449.29074	45.4
467.30185	51.5
468.30609	7.8
511.29709	2.7
585.40326	100.0
586.40607	15.9
611.37958	10.0
629.28967	4.7
629.39093	56.5
630.39240	10.0
673.34851	7.0
703.70001	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	673.3808
Annotation	TRICHODEPSIPEPTIDE B
Peak:m/z	Relative Intensity
59.01377	1.3
61.98827	1.2
71.01379	1.3
75.00871	1.5
80.59244	0.6
87.00887	1.1
88.14954	0.6
96.96026	1.3
99.08229	0.6
102.21306	0.5
111.04557	0.6
111.08153	0.6
129.09230	0.6
136.05307	1.5
143.23769	0.6
145.02956	0.6
149.06062	1.5
150.06871	18.5
151.07465	0.7
162.06889	0.8
163.07657	8.6
164.08429	4.5
165.09273	0.5
173.08224	0.5
178.09967	1.4
179.10770	9.7
287.18619	1.3
322.27643	0.5
329.23373	4.3
331.21259	6.1
450.29819	1.5
464.31409	1.7
465.32242	2.6
492.30911	1.7
493.31979	2.9
495.33240	0.6
510.32016	11.1
511.32782	21.5
512.33215	3.0
610.13086	1.0
673.38074	100.0
674.38452	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	673.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.0
63.38753	0.6
71.01385	2.7
75.00868	1.2
85.02969	0.8
92.24815	0.6
96.96004	1.1
97.06587	0.8
99.81915	0.6
101.02444	1.9
106.57880	0.6
108.06276	0.7
109.06588	1.4
119.79070	0.5
123.04576	0.8
136.05310	1.7
137.06067	0.8
139.07690	1.0
148.05315	1.2
149.06075	2.2
150.06879	18.9
151.07187	0.7
161.02441	0.6
162.06874	1.1
163.07649	9.1
164.08472	4.0
165.09158	2.4
167.03496	2.7
177.09254	0.8
178.10117	0.7
179.10780	6.9
279.12390	1.3
287.18512	1.3
311.07733	6.1
315.21780	0.9
329.23389	3.9
331.21255	5.8
334.62863	0.6
361.16556	2.1
408.37427	0.7
425.18185	3.9
450.29907	2.3
451.29794	0.7
464.31412	1.4
465.32196	3.6
481.32516	0.8
492.31268	0.8
493.31604	3.4
510.31961	9.8
511.32797	21.4
512.33246	3.5
620.99127	0.7
673.38080	100.0
674.26459	0.8
674.38342	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
70.25542	2.4
87.79072	0.7
97.03232	0.7
121.90453	0.7
130.17017	0.7
145.89645	0.7
182.90480	0.7
315.14548	0.9
432.23285	2.4
447.25635	12.2
448.25964	2.1
452.46484	0.9
474.24329	3.1
489.26450	4.0
491.23981	1.5
533.25800	4.8
535.23834	1.6
565.28180	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	673.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.3
59.01387	3.3
64.51936	0.2
71.01391	1.9
71.04996	0.2
72.99338	0.2
73.02930	0.6
80.02689	1.0
81.03468	1.1
83.01383	0.4
83.05031	4.9
84.02193	0.8
85.02972	0.4
87.00876	0.6
87.04570	0.2
89.02440	1.2
93.03488	0.3
95.05027	0.7
96.91405	0.2
97.06611	0.2
101.02450	1.6
105.72294	0.2
109.06644	0.4
113.02452	1.0
119.03517	0.5
123.08158	0.5
125.06109	0.5
125.09732	0.8
135.08154	0.9
145.05055	0.4
150.06815	0.3
161.04582	0.7
163.11307	3.5
165.12834	2.3
171.10269	3.1
179.05556	0.3
181.12393	0.3
185.11894	0.4
191.10786	0.8
199.13351	0.6
201.11292	1.2
209.11838	100.0
210.12148	6.1
211.13419	0.5
215.12910	0.4
221.11775	0.3
221.38821	0.2
223.13460	0.3
227.12886	14.2
228.13272	1.0
235.08215	1.5
239.12891	0.3
247.13416	1.1
251.40157	0.2
253.09293	5.6
265.14658	0.4
375.22061	0.3
383.21930	0.3
401.23145	0.2
435.61816	0.3
445.20889	0.8
446.20996	0.3
463.21991	0.4
467.30133	1.2
493.28207	0.3
611.30566	0.5
613.39825	0.5
637.32343	1.1
673.42596	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
60.69147	2.3
61.98831	2.2
65.00337	2.9
65.75716	2.1
69.29888	2.2
69.30244	24.8
98.20630	5.4
142.00708	2.1
145.37010	2.9
151.00360	10.0
160.12146	2.5
169.44826	2.4
173.27666	2.2
178.99774	5.0
227.03412	3.0
243.02931	7.6
255.02948	17.3
271.02472	44.1
272.02832	4.0
300.02750	86.7
301.03433	35.0
302.03665	3.0
304.46533	2.8
559.04919	2.5
609.14600	100.0
610.14935	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	672.1213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.9
61.98837	17.1
63.02388	0.9
65.00314	1.7
83.01389	1.6
95.07100	0.8
101.02442	0.9
107.01422	2.0
108.02189	1.0
109.02985	1.9
118.44340	0.8
119.53874	0.8
120.05875	0.9
121.02931	2.4
130.91707	0.9
136.05365	1.0
136.54951	0.8
145.02971	3.8
148.01698	2.0
151.00374	14.9
161.02467	1.4
161.04878	1.7
162.05652	0.9
163.00430	2.6
175.05197	1.3
178.99863	6.3
192.00681	1.0
215.03435	1.0
226.02568	1.1
227.03426	4.2
243.02992	8.5
244.09869	3.2
245.04631	1.9
254.02299	2.4
255.02989	25.7
256.03470	2.4
271.02493	48.3
272.03049	5.3
273.03885	1.4
283.02612	1.6
284.03308	1.0
285.03955	3.4
299.02042	1.6
300.02771	100.0
301.03516	46.0
302.03842	3.3
305.11264	1.2
386.52121	0.9
463.08890	35.5
464.09167	3.9
468.17822	2.4
469.17957	2.6
503.43686	1.0
609.12518	97.2
610.12836	15.4
635.26697	1.2
671.36481	2.2
672.25439	0.9
673.37360	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17229	0.5
57.03448	0.9
59.01390	3.4
60.38329	0.4
61.98832	2.5
62.34990	0.5
64.28217	0.4
69.44963	1.5
69.45381	2.4
71.01396	2.4
73.02946	1.3
74.23726	0.5
75.00883	1.9
79.05538	0.6
85.02979	0.7
87.04528	0.8
89.02458	0.8
95.01328	0.6
96.96010	1.4
97.06577	0.6
98.20646	0.8
101.02445	1.4
113.02464	1.2
121.06575	1.6
123.04456	0.5
123.08175	0.6
125.09722	1.7
127.11346	0.7
128.42734	0.5
135.04460	0.6
135.08136	1.0
136.05310	1.0
137.06087	0.9
137.09721	0.8
141.09227	0.9
148.05270	1.0
149.06097	2.9
150.06874	37.8
151.04007	0.6
151.07242	1.0
152.04811	2.0
153.09251	0.6
155.10776	0.5
161.09755	0.6
162.06871	0.8
163.06279	1.0
163.07661	19.8
164.08449	7.0
165.05669	3.0
171.10287	1.6
176.08372	0.5
177.09230	1.3
178.10001	1.4
179.07254	0.6
179.10779	17.3
180.11008	1.0
192.01683	0.5
201.11336	16.0
202.11760	0.8
207.10268	0.9
209.11816	1.1
214.84483	0.5
215.12952	0.5
225.11386	0.9
263.16608	0.6
272.47839	0.4
275.04346	0.5
279.23349	0.5
297.24350	2.2
299.22260	7.5
302.97614	0.5
307.15524	1.1
309.24194	0.6
311.22305	1.9
317.05157	0.6
327.21875	1.1
327.25464	0.9
329.23282	1.8
404.63730	0.5
429.33954	0.8
432.32526	1.6
435.31418	0.6
446.34082	1.7
447.27524	1.6
447.34753	1.6
461.32962	2.6
464.31329	0.6
465.28192	3.2
466.29208	0.6
473.32452	1.2
478.33069	7.6
479.33771	8.5
480.33893	0.7
490.33035	4.5
491.33896	7.9
508.34094	12.4
509.28220	1.0
509.35022	8.8
510.35434	0.7
533.35602	0.7
606.48248	0.5
609.14648	0.7
641.39160	0.8
653.38910	1.5
671.40204	100.0
672.40576	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	671.4013
Annotation	Guineamide D
Peak:m/z	Relative Intensity
59.01375	2.9
61.98853	1.3
69.49928	1.4
69.50337	4.9
71.01370	1.0
71.79128	0.7
73.02931	1.4
78.52902	0.8
85.02998	1.7
87.00893	0.8
87.60378	0.8
118.12476	0.8
135.08177	1.1
137.06079	1.0
139.04001	2.0
149.06088	3.3
150.06868	28.2
151.07217	1.1
152.04781	2.6
155.10800	1.2
163.07634	14.4
164.08397	4.6
165.05533	4.0
177.09187	1.0
178.09932	1.9
179.07216	1.5
179.10777	11.5
180.11229	0.8
208.37166	0.7
209.11841	1.2
211.28293	0.7
225.11389	1.0
272.06998	0.9
284.37094	0.8
327.25436	3.1
329.23297	5.9
364.20206	0.8
392.64377	0.8
446.34180	1.4
448.31848	2.0
462.33340	3.7
463.34131	5.4
490.32938	4.8
491.33636	3.5
492.29944	0.8
508.33997	11.9
509.34949	20.6
510.35718	3.6
671.40167	100.0
672.40656	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.5
61.98824	0.8
67.10767	0.5
69.45212	4.2
70.76025	0.5
71.01411	0.7
72.99314	1.2
75.00858	0.7
75.75899	0.6
83.05024	0.6
85.02936	1.0
87.00888	1.9
95.05035	0.7
97.06585	2.0
98.20642	1.0
99.04527	0.7
109.06604	1.2
123.04485	0.6
127.07703	0.6
131.03461	0.5
136.05324	3.4
138.06877	1.3
143.07170	0.7
149.06062	2.4
150.06866	18.6
151.07361	0.5
162.06912	0.5
163.07661	5.3
164.08434	4.1
165.09213	3.7
173.08220	1.3
176.08519	0.6
178.09900	0.6
179.10796	8.7
191.07639	0.5
191.10963	0.5
201.11310	1.2
201.19264	0.6
215.09146	2.5
239.90164	0.6
285.16946	0.9
307.19177	0.8
320.19882	1.4
327.21713	1.7
329.19595	4.7
364.22855	1.2
427.28491	1.3
445.29376	0.8
448.28482	0.8
463.30707	1.4
490.29321	1.0
491.30038	2.3
503.40720	0.7
508.30325	5.0
509.31165	23.0
510.31345	4.1
671.36505	100.0
672.36877	18.8
675.45331	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.3
68.55152	0.4
69.97127	1.5
69.97543	0.7
71.01389	0.9
71.24812	0.4
72.99310	1.1
85.02935	0.7
87.00884	2.2
92.50968	0.4
97.06595	1.9
99.08189	0.4
109.06596	1.2
125.06115	0.6
127.07616	0.9
127.92618	0.4
135.08160	0.7
136.05284	1.6
138.06885	0.9
143.07143	0.8
145.02948	0.5
149.06096	1.0
150.06882	17.4
151.07414	0.8
162.06830	0.6
163.07640	5.3
164.08444	3.7
164.63153	0.4
165.09259	1.7
173.08191	1.4
178.09998	1.0
179.10783	7.5
179.12309	0.3
180.11237	0.5
215.09201	3.7
277.10837	0.7
285.17078	1.3
310.37555	0.4
320.19812	0.8
327.21808	2.9
329.19684	5.2
335.22229	0.5
364.22754	0.9
412.26239	0.6
413.81552	0.4
427.28467	1.6
462.29797	1.2
463.30551	1.1
490.29285	0.7
491.30017	1.8
493.27881	0.6
508.30374	8.7
509.31198	19.7
510.31854	2.4
571.62122	0.4
611.34332	0.4
671.36523	100.0
672.36804	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	671.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.4
59.01373	1.8
61.98820	0.3
65.41489	0.3
69.03457	0.3
71.01383	0.9
71.61401	0.4
72.99301	1.1
73.02936	0.4
75.00865	1.0
83.04999	0.4
85.02935	0.7
87.00886	2.2
95.05021	0.5
97.06598	2.2
101.02390	0.3
107.42811	0.2
109.06586	1.1
109.21665	0.2
111.08156	0.3
113.02428	0.3
113.84719	0.2
115.03957	0.6
115.25648	0.2
121.06571	0.3
125.06077	0.3
127.07635	0.7
135.04491	0.3
135.08130	0.6
136.05312	2.2
137.06122	0.4
137.09691	0.4
138.06880	1.2
139.07634	0.3
143.07138	0.9
145.02953	0.6
148.05310	0.4
149.06070	1.2
150.06873	17.8
151.07202	0.7
161.09705	0.3
162.06866	0.7
163.07661	6.4
163.11292	0.4
164.08432	3.6
165.09163	2.0
173.08145	1.9
176.08400	0.3
176.46507	0.2
177.09186	1.2
178.09955	0.6
179.10785	9.0
180.11046	0.3
201.07707	0.4
215.09245	3.5
243.12599	0.3
277.10718	0.5
285.17017	1.0
302.19269	0.3
313.20200	0.4
320.19977	0.6
325.20181	0.3
327.21753	2.6
329.19702	5.1
330.20071	0.4
335.22165	0.7
364.22528	1.1
412.26184	0.6
427.28546	1.5
445.29587	0.6
447.46097	0.3
448.28125	0.4
462.29800	1.0
463.30698	0.6
479.30197	0.4
490.29388	1.2
491.30231	2.6
508.30447	9.6
509.31180	20.8
510.31540	3.5
627.22821	0.3
671.36499	100.0
672.36829	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39061	0.8
57.03450	1.2
57.89973	0.8
59.01384	15.5
61.98841	2.0
69.03461	5.3
69.33880	2.6
69.34299	5.3
71.01397	3.2
73.02972	1.4
73.23035	0.7
75.00875	1.3
76.04075	0.7
78.95953	1.0
83.01431	1.0
83.05033	1.5
85.02969	1.1
89.02449	2.3
96.96024	2.0
97.61954	0.9
101.02454	4.0
104.01036	0.9
109.06593	0.8
111.81055	0.8
113.02495	1.1
121.51508	0.7
125.06111	1.4
145.05174	0.8
151.11307	2.4
153.12849	1.2
161.04637	1.5
163.11365	1.0
166.79834	0.8
169.12366	6.1
171.10265	1.4
177.09235	16.8
179.10825	0.9
187.81760	0.9
195.10292	36.4
195.12125	1.7
196.10658	2.4
197.11845	100.0
198.12151	5.1
207.10323	1.8
208.85667	0.8
209.11853	9.6
210.12210	3.2
211.13472	2.5
221.37883	0.8
223.13387	5.2
224.13759	2.5
225.11313	1.8
225.13943	1.2
227.12881	1.8
235.08226	3.3
253.09309	7.9
254.09691	1.1
309.20572	0.8
344.68985	0.8
431.19299	1.6
433.20816	9.7
434.21353	1.0
480.39343	0.9
609.12988	0.9
653.32104	1.0
656.13831	0.9
671.32037	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	671.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	4.4
61.98841	2.6
67.45197	2.4
68.95589	2.4
69.27352	28.0
71.01379	5.1
74.63404	3.0
75.00851	7.2
76.43494	2.7
87.40379	2.7
93.03472	22.1
109.02946	6.2
119.05025	10.5
125.02388	3.3
131.05025	9.3
133.06604	8.0
134.06970	3.1
135.04536	8.2
145.02968	6.6
147.04552	18.1
147.05571	3.5
149.06087	4.0
151.03995	3.0
159.04509	10.9
161.02480	6.6
163.03987	5.3
175.04054	4.2
175.07611	3.5
177.05574	100.0
178.05873	3.9
202.38818	2.7
209.04533	3.2
219.06468	4.3
220.06926	3.0
227.07089	3.2
265.03564	5.6
282.76688	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	671.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96864	1.0
57.03471	1.2
59.01387	17.9
59.67056	0.9
61.98839	7.6
70.08262	4.6
71.01385	10.0
72.99295	1.2
73.02961	3.2
75.00858	2.0
80.02705	2.0
81.03483	3.2
83.01389	1.9
83.05032	7.3
84.02170	2.3
85.02966	3.1
87.00893	3.2
89.02449	4.5
93.03490	1.4
95.05035	2.4
96.96021	1.3
97.02966	5.7
99.00896	1.7
99.04511	1.3
101.02448	7.3
109.02932	1.1
109.06600	23.8
110.03718	1.2
110.35527	1.0
111.00913	1.7
113.02498	3.7
113.06124	1.0
119.03510	1.2
121.06635	2.2
123.04481	1.3
123.08174	1.9
125.02497	1.8
125.06090	2.0
125.09715	8.0
126.10056	1.8
135.04593	1.1
135.08174	4.4
136.05325	1.2
137.02492	1.4
137.06120	1.4
138.03227	2.4
142.02730	1.3
145.05084	1.4
151.07693	1.3
151.11322	1.3
154.99860	1.3
161.04549	2.8
161.09746	2.1
163.11298	17.1
165.05563	4.4
165.12857	2.6
167.07162	4.1
171.10263	3.9
177.12727	1.1
179.07187	3.4
181.12383	4.7
185.11858	2.6
187.09775	1.6
189.09229	2.4
191.10756	1.4
207.10280	62.7
208.10619	4.2
209.11841	100.0
210.12175	6.3
213.11328	4.1
223.13380	2.0
225.11328	32.2
226.11710	1.8
227.12901	14.0
231.10257	2.0
235.08276	3.2
235.13239	1.5
245.11766	1.1
249.11462	2.3
253.09305	11.6
263.12836	2.2
265.14523	1.4
299.14948	1.3
333.98557	1.0
373.23856	1.6
388.16379	1.3
399.22000	6.7
405.17609	1.2
417.22766	7.2
423.27921	2.5
435.24103	1.4
443.18988	2.2
449.32590	1.2
461.20197	13.7
462.21130	1.6
465.27811	1.6
465.32776	1.8
467.26532	2.8
509.30872	2.3
609.28833	1.3
635.30780	11.2
636.30994	1.6
653.31799	14.2
654.32892	1.8
671.32031	28.5
672.33698	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	671.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61553	1.9
58.72308	2.1
59.01392	4.2
59.68498	2.0
71.01386	4.5
71.60686	2.2
74.31258	2.5
75.00911	4.0
78.85890	2.1
83.33199	2.4
93.03470	22.2
96.62882	2.3
109.02936	2.6
119.05037	9.8
121.03000	3.4
125.02477	3.4
131.05037	9.8
133.03055	2.5
133.06551	8.1
135.04532	5.6
145.02972	6.6
147.04524	17.0
149.06078	4.5
159.04518	9.6
161.02489	3.2
175.04024	2.3
175.07613	3.2
177.05576	100.0
178.05908	5.7
185.27014	2.6
209.04515	3.2
219.06343	3.4
240.24702	2.4
265.03607	8.9
572.81378	2.8
584.68829	3.1
700.05127	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	671.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29564	1.0
55.01870	1.3
57.03428	1.2
59.01384	24.4
66.43481	1.2
67.42366	1.1
69.03461	16.7
69.90395	1.0
71.01382	9.3
72.99291	2.3
73.02953	24.7
75.00867	4.3
83.01385	3.4
83.05007	1.4
85.02959	5.1
86.00091	1.4
87.00861	5.6
87.04501	1.9
89.02463	2.9
93.03466	2.0
97.73351	1.3
99.04533	1.4
101.02446	11.7
101.82167	1.1
103.04018	3.8
109.02978	1.5
113.02460	7.4
115.04018	3.1
119.05080	1.5
120.25121	1.2
121.02962	2.2
125.02437	2.1
127.04062	1.2
131.03502	4.8
135.08125	1.7
138.07626	1.3
143.03461	6.9
145.02933	2.7
156.60719	1.2
159.08118	4.4
161.02435	1.9
161.04619	1.4
163.04053	2.2
163.06090	7.0
171.11771	2.5
175.17429	1.2
187.11308	2.2
189.09224	3.6
189.12842	7.8
205.07144	8.9
213.12804	1.6
215.10727	10.1
229.12421	3.5
229.40202	1.2
233.11841	18.7
234.12161	1.4
241.13432	4.6
242.13838	2.6
243.14192	1.3
257.11810	1.7
259.09735	18.4
260.10010	2.1
273.11343	5.2
275.12769	2.3
277.10806	100.0
278.11346	6.1
285.12399	2.2
286.12634	1.9
291.12323	1.9
301.10889	1.4
319.11874	29.7
320.12277	2.4
345.13376	1.6
423.15918	1.3
430.59232	1.3
433.16843	2.2
465.17755	11.5
466.18057	2.1
535.65973	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93183	1.0
57.03437	1.2
59.01385	22.8
61.98831	1.2
67.01910	1.0
69.03458	17.0
69.48118	1.0
70.03776	1.1
71.01388	10.7
71.62022	1.5
72.99315	2.2
73.02950	29.1
73.51654	1.0
75.00874	7.2
83.01421	2.8
85.02952	6.2
86.00108	1.1
87.00896	7.5
87.04530	2.2
89.02463	2.8
95.05055	1.8
96.96035	2.6
97.02959	1.5
99.00881	1.0
101.02444	13.6
103.04012	3.0
113.02433	9.7
113.03031	1.0
115.03986	1.5
119.03509	1.6
119.05049	3.0
121.02986	2.5
125.02482	3.2
131.03503	4.5
135.04530	1.4
135.08156	1.6
143.03468	6.5
145.02946	2.8
145.05115	1.4
159.08151	3.2
161.02539	1.9
161.04591	1.5
161.09758	1.9
163.06152	7.6
171.11798	3.9
175.07596	1.5
187.07620	1.4
187.11316	2.7
189.09225	3.5
189.12842	9.9
205.07176	7.6
205.12332	1.3
213.12801	1.7
215.10796	11.0
221.04601	1.3
229.12297	3.1
231.13956	1.6
233.11812	20.4
234.12169	1.5
241.13474	4.1
242.13753	3.5
243.14021	1.4
244.10011	1.2
247.08151	1.3
257.11887	1.2
259.09760	18.2
260.10074	1.5
273.11368	6.9
275.13022	2.9
277.10812	100.0
278.11166	9.1
285.12491	3.0
286.12689	2.0
287.13107	1.1
291.12506	2.5
319.11874	33.0
320.12302	2.3
345.13416	1.7
448.17651	1.4
465.17725	14.9
466.18176	2.2
509.19464	1.1
627.22797	1.9
655.83148	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.2
61.98838	2.0
71.01374	1.1
71.61645	2.0
72.70853	1.1
78.95904	1.8
83.05028	1.3
91.68696	1.4
104.92583	1.1
111.08211	1.2
152.99550	1.5
153.12787	1.4
153.69287	1.2
167.14404	14.8
181.15991	55.0
182.16313	2.1
182.43915	1.1
205.15970	3.4
209.15459	17.2
209.19016	2.3
210.15794	1.5
211.13335	1.6
223.17039	79.8
223.20468	2.5
224.17329	5.2
225.14949	6.9
227.16348	1.6
241.18167	6.1
243.15942	2.1
253.18088	2.5
267.16034	4.0
277.21674	1.6
278.21902	1.1
283.19199	2.1
297.17563	1.3
297.20590	5.5
327.18130	2.6
341.19839	5.6
349.24487	1.4
459.31570	1.8
474.21936	1.4
477.32059	1.2
551.36475	1.6
654.50006	1.3
669.38568	100.0
670.38971	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26319	0.4
55.98800	0.4
57.03456	1.1
57.09336	0.4
59.01377	3.7
61.98841	4.0
69.38192	1.4
69.38610	2.6
71.01383	2.8
73.02942	1.0
75.00858	0.8
83.05067	0.6
84.89370	0.4
85.02944	1.4
85.44051	0.4
87.00879	1.3
89.02477	0.9
96.96021	1.6
97.06638	0.5
99.04533	1.4
101.02440	2.0
108.94192	0.4
111.04520	1.0
111.08195	0.5
113.02433	0.8
122.03739	1.6
123.08173	0.6
125.02478	0.5
125.09759	1.1
129.05650	0.6
135.04588	0.7
135.08174	0.8
136.05307	1.1
137.06067	1.4
137.09778	0.5
145.02982	0.7
148.05313	1.0
149.06093	5.8
150.06877	49.8
151.07193	2.4
157.08740	0.7
159.04424	0.6
161.09720	0.8
162.06841	1.4
163.07671	11.0
164.08426	6.5
165.05559	6.2
171.10231	1.0
176.08420	1.6
177.09184	0.8
178.10001	3.6
179.07167	0.9
179.10789	12.4
180.11082	0.6
183.57979	0.5
193.08636	0.5
208.97729	0.4
245.11574	0.5
263.20123	0.7
279.23346	0.8
281.21283	0.8
283.19327	0.6
286.64813	0.4
325.23969	1.8
327.21884	5.5
348.89670	0.6
428.29437	1.5
443.31662	1.5
446.30417	7.4
447.30844	1.2
460.31863	1.7
461.32697	9.6
462.33319	1.1
464.31195	1.3
465.32101	1.2
488.31595	1.1
489.32477	3.3
492.30917	0.6
506.32535	3.1
507.33438	26.4
508.33810	4.0
669.38635	100.0
670.39154	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	669.3861
Annotation	Ajugasalicioside F
Peak:m/z	Relative Intensity
52.46777	0.4
57.03437	0.5
59.01392	2.9
61.19044	0.4
61.98826	1.5
63.37314	0.4
69.46567	2.7
71.01382	1.3
71.05001	0.7
82.14337	0.4
83.05006	0.6
85.02950	1.5
87.00887	1.9
97.06598	0.5
99.04519	1.4
101.02436	0.6
110.02422	0.4
111.04518	1.3
111.08209	1.0
113.02430	0.6
122.03773	0.5
129.05585	0.6
135.08139	1.0
136.05338	0.7
137.06091	0.7
149.06087	3.6
149.52417	0.4
150.06871	30.7
151.07265	1.3
157.08705	0.4
162.06879	1.4
163.07663	12.2
164.07207	0.5
164.08446	4.5
165.05617	1.1
165.09070	0.5
176.08440	1.3
177.09129	0.4
178.09959	1.8
179.07362	0.6
179.10789	10.7
180.11148	0.6
195.17447	0.5
207.10144	0.6
207.11969	0.4
223.86113	0.4
245.94994	0.4
263.20160	0.6
279.23187	0.8
283.19229	0.7
325.23843	3.4
327.21750	4.9
377.26678	0.4
400.03192	0.4
421.26465	0.5
443.31680	1.4
444.32227	0.6
446.30377	4.1
447.30728	0.5
460.32092	3.1
461.32736	5.8
462.27643	0.5
462.33228	0.8
463.34311	0.8
465.32498	0.6
481.20807	0.5
488.31445	4.7
489.31976	2.5
506.32617	7.3
507.33350	21.7
508.33746	2.9
598.45740	0.5
669.38605	100.0
670.38953	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	669.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50778	1.0
51.21805	0.9
55.81458	1.0
57.03436	1.3
59.01382	7.9
61.98840	7.4
71.01369	3.9
71.05006	1.0
71.61840	1.1
73.02944	1.8
75.00879	3.4
78.95920	1.0
85.02959	2.1
87.00855	1.3
89.02458	1.0
93.03452	1.1
96.96025	2.3
101.02431	2.3
111.04544	1.2
113.02460	2.7
114.63952	0.9
121.06575	2.0
122.03757	1.4
123.04468	1.2
123.08197	1.4
125.09744	1.2
135.04504	2.7
136.05309	44.0
143.41818	1.1
144.24454	0.9
145.02917	2.2
148.05283	1.0
149.06093	15.8
150.06879	22.8
151.07294	1.2
156.53667	1.2
160.60004	0.9
161.02487	1.4
162.06950	1.1
163.07664	8.8
164.08504	2.4
165.05473	1.5
165.09224	27.5
166.09593	2.0
167.15594	0.9
168.40904	0.8
179.07245	1.2
179.10768	4.4
189.05394	1.0
201.11450	1.1
295.22687	1.1
297.20691	14.5
298.20847	2.0
315.19586	1.7
327.21765	2.7
336.79910	0.9
345.90137	1.0
358.49463	1.1
445.29691	6.5
462.29736	16.2
463.30682	35.8
464.30923	4.6
489.32483	2.4
505.18866	1.5
506.32541	3.4
507.33664	7.1
567.21045	1.1
625.35962	100.0
626.36212	13.9
651.38141	1.3
669.39001	22.4
670.39172	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	669.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50778	1.0
51.21805	0.9
55.81458	1.0
57.03436	1.3
59.01382	7.9
61.98840	7.4
71.01369	3.9
71.05006	1.0
71.61840	1.1
73.02944	1.8
75.00879	3.4
78.95920	1.0
85.02959	2.1
87.00855	1.3
89.02458	1.0
93.03452	1.1
96.96025	2.3
101.02431	2.3
111.04544	1.2
113.02460	2.7
114.63952	0.9
121.06575	2.0
122.03757	1.4
123.04468	1.2
123.08197	1.4
125.09744	1.2
135.04504	2.7
136.05309	44.0
143.41818	1.1
144.24454	0.9
145.02917	2.2
148.05283	1.0
149.06093	15.8
150.06879	22.8
151.07294	1.2
156.53667	1.2
160.60004	0.9
161.02487	1.4
162.06950	1.1
163.07664	8.8
164.08504	2.4
165.05473	1.5
165.09224	27.5
166.09593	2.0
167.15594	0.9
168.40904	0.8
179.07245	1.2
179.10768	4.4
189.05394	1.0
201.11450	1.1
295.22687	1.1
297.20691	14.5
298.20847	2.0
315.19586	1.7
327.21765	2.7
336.79910	0.9
345.90137	1.0
358.49463	1.1
445.29691	6.5
462.29736	16.2
463.30682	35.8
464.30923	4.6
489.32483	2.4
505.18866	1.5
506.32541	3.4
507.33664	7.1
567.21045	1.1
625.35962	100.0
626.36212	13.9
651.38141	1.3
669.39001	22.4
670.39172	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	669.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50778	1.0
51.21805	0.9
55.81458	1.0
57.03436	1.3
59.01382	7.9
61.98840	7.4
71.01369	3.9
71.05006	1.0
71.61840	1.1
73.02944	1.8
75.00879	3.4
78.95920	1.0
85.02959	2.1
87.00855	1.3
89.02458	1.0
93.03452	1.1
96.96025	2.3
101.02431	2.3
111.04544	1.2
113.02460	2.7
114.63952	0.9
121.06575	2.0
122.03757	1.4
123.04468	1.2
123.08197	1.4
125.09744	1.2
135.04504	2.7
136.05309	44.0
143.41818	1.1
144.24454	0.9
145.02917	2.2
148.05283	1.0
149.06093	15.8
150.06879	22.8
151.07294	1.2
156.53667	1.2
160.60004	0.9
161.02487	1.4
162.06950	1.1
163.07664	8.8
164.08504	2.4
165.05473	1.5
165.09224	27.5
166.09593	2.0
167.15594	0.9
168.40904	0.8
179.07245	1.2
179.10768	4.4
189.05394	1.0
201.11450	1.1
295.22687	1.1
297.20691	14.5
298.20847	2.0
315.19586	1.7
327.21765	2.7
336.79910	0.9
345.90137	1.0
358.49463	1.1
445.29691	6.5
462.29736	16.2
463.30682	35.8
464.30923	4.6
489.32483	2.4
505.18866	1.5
506.32541	3.4
507.33664	7.1
567.21045	1.1
625.35962	100.0
626.36212	13.9
651.38141	1.3
669.39001	22.4
670.39172	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	669.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.3
56.26506	0.2
57.03457	0.4
59.01384	4.3
61.98838	0.3
63.58959	0.2
63.72091	0.2
69.03466	1.1
71.01382	3.0
71.05026	0.4
72.99319	0.3
73.02982	0.6
80.02687	1.1
81.03445	1.2
83.01422	0.5
83.05029	4.3
84.02174	0.9
85.02973	1.1
87.00893	0.6
87.66119	0.2
89.02462	2.1
89.72296	0.2
93.03465	0.3
95.01411	0.3
95.05035	1.1
95.65368	0.2
97.02969	0.3
97.06588	0.2
99.00928	0.3
101.02452	3.0
103.04047	0.2
109.06597	0.5
111.08210	0.2
113.02465	1.3
119.03526	0.8
121.02983	0.2
124.14516	0.2
125.02508	0.3
125.06111	0.6
125.09740	0.3
131.08595	0.2
135.08221	0.5
143.03532	0.4
145.05026	0.3
147.11826	0.3
149.09767	0.3
151.07635	0.2
158.75722	0.2
160.47147	0.2
161.04590	1.3
163.06119	0.4
163.11304	4.0
164.11584	0.2
165.12856	2.1
167.10805	1.3
171.10292	1.9
177.12849	0.2
179.05652	0.4
179.10869	0.5
179.14456	1.3
181.12389	0.4
191.10806	1.0
192.31274	0.2
195.13922	4.1
196.14290	0.3
197.11842	0.5
199.13417	0.3
205.12347	4.4
206.12550	0.3
207.10294	0.3
209.11841	100.0
210.12184	5.7
210.14192	0.3
223.13405	43.7
224.13773	2.5
225.11398	0.3
227.12904	14.1
228.13263	0.8
235.08244	2.2
235.13409	0.4
253.09288	8.7
254.09669	0.4
261.14810	1.0
262.15634	0.2
293.17166	0.2
319.22772	0.3
415.24896	0.7
433.25793	0.3
441.21283	0.6
445.20807	1.5
459.22406	1.9
463.21884	0.5
464.30869	0.2
465.31476	0.3
533.53638	0.2
633.32983	0.9
651.33649	1.4
669.35687	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26681	3.5
57.03445	9.9
59.01385	33.3
59.21899	4.0
60.78708	3.4
61.98825	10.8
71.01389	7.6
71.62024	4.8
73.02955	6.7
73.65960	3.3
74.78322	3.3
75.00883	5.0
78.26380	3.8
79.33128	4.0
79.48069	3.2
81.03456	6.6
88.98816	10.3
89.02444	9.0
93.03436	6.5
101.02437	9.9
109.06575	6.5
113.02439	5.3
116.92892	4.1
121.06620	4.0
123.04518	12.5
125.02439	53.3
125.09720	11.8
147.04469	6.6
157.94739	3.8
165.05553	11.3
177.05554	12.2
177.40913	3.4
183.10310	4.6
185.11777	3.8
187.09790	11.4
199.13446	5.1
205.12332	4.3
207.10239	4.6
209.11816	14.1
223.13406	48.2
225.11243	5.9
227.12877	27.8
231.17563	4.9
233.15314	5.8
247.28581	3.8
253.09294	8.0
261.02197	3.7
273.18619	10.6
275.16479	10.9
304.71329	3.6
315.19458	4.3
315.59079	3.7
318.37244	3.8
359.18542	12.0
403.17633	100.0
404.17972	13.8
415.25031	5.2
507.25507	8.2
521.72717	4.8
651.32465	10.3
669.33209	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	667.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.2
58.72298	1.0
59.01380	19.1
61.98808	2.2
69.03438	3.1
70.74722	0.9
71.01392	11.6
71.05031	1.2
72.33611	1.1
73.02931	3.0
75.00864	2.2
80.02665	1.7
81.03446	1.8
83.01377	1.0
83.05013	3.4
85.02940	3.9
87.00879	3.1
89.02458	5.6
93.03450	1.6
95.01357	1.3
95.05032	1.2
96.95996	1.4
97.02954	11.1
97.06552	1.8
98.20637	2.4
99.00848	1.9
101.02460	11.1
109.06601	39.2
110.06899	1.2
113.02442	4.7
119.03511	1.3
121.06583	2.5
125.09681	2.2
128.01718	1.0
133.93401	1.0
135.08189	5.5
136.05269	1.4
142.02673	3.0
143.03461	1.2
145.05031	1.4
148.80458	1.3
150.77861	1.1
161.04533	3.1
161.05838	1.0
161.09688	2.3
163.07664	1.2
163.11295	19.3
164.11549	1.1
167.10722	3.3
171.10201	0.9
178.09450	1.0
179.10732	1.9
179.14427	2.8
180.77324	1.0
181.12332	5.6
185.11780	5.5
187.09717	1.1
189.09183	1.7
195.13876	8.4
197.12033	1.2
205.12367	7.8
207.10265	100.0
208.10620	5.5
209.11812	2.6
211.13295	2.2
220.50595	1.1
223.13387	67.1
224.13663	3.9
225.11316	47.4
226.11534	2.2
234.60899	1.0
235.08177	6.8
253.09305	13.0
269.57458	1.1
281.14169	1.6
351.23337	3.1
369.24390	1.1
377.21136	1.6
378.48483	1.1
385.23715	4.2
387.21399	1.4
395.22086	9.2
403.24988	4.0
413.23306	20.7
414.23660	2.1
431.24088	8.5
443.19174	5.4
461.20374	18.4
462.20242	2.6
505.28012	2.3
621.32935	2.7
631.31201	4.0
649.32281	28.5
650.32404	6.7
667.33234	45.0
668.33051	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	667.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01406	3.2
64.89409	1.5
65.22704	1.4
68.32547	1.4
75.00887	3.1
82.02989	5.2
96.04584	1.9
110.02465	2.0
112.04087	2.1
119.72590	1.7
120.04556	5.9
121.06615	1.7
122.02314	1.6
122.06123	5.3
129.05574	3.2
132.09816	1.4
133.16383	1.9
138.09241	2.2
147.04489	2.2
148.04062	30.6
150.05624	25.9
154.05177	2.3
160.04013	10.7
161.02524	3.5
161.04825	68.0
162.05531	4.4
163.16911	1.5
164.03569	5.6
168.06659	4.9
173.03568	6.4
173.06082	5.0
174.04308	8.3
174.05588	3.1
175.05135	45.0
176.03584	7.4
176.05815	5.3
186.05542	2.0
187.06276	1.6
189.06679	4.7
190.07449	10.0
191.08264	8.8
192.03105	2.6
194.04590	17.5
200.07207	2.8
200.10809	1.8
201.07895	5.8
201.09471	1.8
202.03873	3.6
202.08855	13.6
203.08238	1.8
211.07259	5.6
214.05185	1.6
214.11320	1.6
215.06013	1.9
215.08058	1.8
216.06729	2.8
216.10568	1.6
217.09738	1.7
226.08730	2.3
228.06627	4.6
229.07402	2.1
230.14583	1.7
231.07782	1.9
232.08589	7.8
233.09314	29.3
242.08218	5.0
243.07387	1.8
243.09308	2.6
243.11430	2.7
244.09819	100.0
245.06851	4.3
245.09660	11.8
246.07655	5.2
263.10321	2.2
286.09778	2.2
287.10559	19.0
287.13718	2.2
288.08676	18.6
305.11429	39.1
306.11676	3.8
312.13678	1.8
331.09534	1.9
341.14493	1.6
352.09439	3.2
370.10495	5.2
370.17651	2.1
371.11151	3.1
381.18225	1.8
382.17621	1.6
383.16193	1.7
400.19067	3.2
406.17715	1.8
424.18869	5.3
425.17261	5.0
442.19894	9.5
454.19727	10.3
455.18274	18.0
456.18213	1.8
472.20792	17.3
473.21075	3.2
498.18890	4.9
499.16043	3.2
500.16785	93.0
501.17331	8.7
595.23859	2.0
637.25336	11.0
638.25177	2.4
667.26129	15.2
668.26941	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	667.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.3
69.74323	5.9
69.74733	2.9
70.20682	1.6
79.78875	1.3
82.02979	5.2
87.31767	1.5
112.04070	1.8
115.38301	1.4
120.04532	5.0
121.06618	2.2
122.06099	3.8
129.05545	3.5
132.04541	2.1
138.05695	1.4
138.09261	4.5
147.03333	1.5
147.04453	2.5
148.04063	38.1
150.05595	25.7
154.05060	2.7
159.08105	1.6
160.02831	2.4
160.04024	12.4
161.04822	69.8
162.05394	5.3
163.05092	1.8
164.03534	5.4
168.06726	2.4
172.05283	1.8
173.03545	6.5
173.04843	1.7
173.06099	4.3
174.04330	7.1
174.05588	3.0
175.05125	44.1
176.03574	7.9
176.05815	6.5
186.05577	4.1
187.06485	2.0
189.06686	3.0
190.07420	8.2
191.08275	9.3
192.02890	1.6
194.04575	18.5
200.07152	4.5
201.07784	10.6
201.09573	2.0
202.03827	3.4
202.08755	15.1
203.08305	1.5
204.06702	1.7
211.07143	7.1
215.05798	2.2
215.08289	3.3
216.06581	4.3
216.10097	1.8
226.08807	2.4
228.06708	4.8
229.07335	2.1
232.08517	9.3
233.09302	29.7
234.09703	2.2
241.09813	2.2
242.08226	3.5
243.09285	2.0
244.09833	100.0
245.06923	4.1
245.09605	11.6
246.07603	3.7
259.07278	2.1
268.08405	1.7
286.09744	2.4
287.10483	22.1
288.08722	21.5
289.09109	2.0
305.11426	39.1
306.11722	1.7
309.08981	2.0
352.09451	4.2
370.10413	5.8
370.17648	3.1
371.11325	2.7
381.18295	2.4
396.15518	1.7
397.32907	1.5
400.18790	4.0
412.18875	2.2
424.18451	3.5
425.17575	5.1
426.16971	3.6
428.14474	2.3
442.19910	7.4
454.19943	11.5
455.18298	18.5
456.18680	1.8
468.17435	1.7
472.20831	22.1
473.21301	2.5
498.18781	3.5
499.15939	5.7
500.16745	99.7
501.17178	13.9
637.25140	13.8
638.24371	1.9
667.26251	16.7
668.26605	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	667.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61628	0.8
59.01360	1.2
69.46877	3.8
69.47295	2.4
71.01398	1.0
72.73173	0.9
75.00888	4.5
81.03445	1.0
82.79853	0.8
83.01424	0.9
87.04514	0.8
92.77418	0.9
93.03468	4.2
95.05022	2.1
97.02956	11.8
98.20686	1.6
108.02187	1.4
109.02958	2.0
119.05024	2.2
121.02962	3.8
123.04501	3.3
125.02427	1.7
131.03526	1.1
133.02963	3.9
135.04489	3.3
137.02397	4.8
139.03986	2.8
145.02936	1.4
145.06581	0.9
148.01720	1.7
149.02448	3.8
157.06618	1.1
159.36536	0.9
161.02425	5.9
161.06078	1.5
162.03119	1.3
165.01915	3.3
166.02586	1.0
169.06577	5.0
169.12027	0.8
171.04497	2.5
179.03540	1.5
185.06071	4.8
187.07555	4.5
189.05550	2.8
203.10741	1.0
205.08730	2.6
211.07698	7.0
213.05635	1.4
227.07166	1.8
229.08655	3.1
235.36426	0.9
237.03937	1.4
240.06589	0.9
244.09908	1.3
255.06636	100.0
256.07004	6.9
257.04587	4.1
264.99530	1.1
269.04541	2.0
271.02457	3.8
273.07721	22.0
274.08240	1.7
279.02997	2.0
285.04025	8.9
286.04544	1.5
297.07587	1.5
314.04343	16.9
315.05060	6.6
401.06531	1.0
412.60437	1.0
461.14557	1.2
487.14661	1.8
547.12378	1.0
563.17816	1.6
581.18427	2.2
623.19788	11.2
624.20392	2.0
667.15234	15.8
667.25775	1.2
668.15417	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	665.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66895	0.1
53.76019	0.1
57.03447	0.8
59.01093	0.2
59.01383	3.9
63.33213	0.1
65.03979	0.1
67.01916	0.2
69.03455	2.3
70.37835	0.3
71.01392	2.1
71.05023	0.7
73.02938	0.3
81.03437	0.1
83.01398	0.3
83.05025	0.5
85.02966	0.7
85.06599	0.4
85.18948	0.1
87.00877	0.5
89.02454	1.5
93.03493	0.3
95.01430	0.2
95.05034	0.4
97.02955	0.3
97.06606	0.3
101.02451	2.0
107.04992	0.2
108.05848	0.2
109.06617	0.6
111.08131	0.4
113.02457	1.3
119.03503	0.5
125.09709	0.4
133.05031	0.2
135.11813	0.2
141.09254	0.2
143.03482	0.3
145.05098	0.3
149.09740	0.7
153.09264	0.2
161.04565	1.0
161.13371	0.4
167.10780	3.1
168.11150	0.2
169.12227	0.1
177.12843	0.6
179.05635	0.4
179.10834	1.0
179.14424	3.2
180.14772	0.2
187.11293	0.3
195.13910	10.1
196.14255	0.4
196.75008	0.1
205.12340	10.5
206.12692	0.8
211.13342	0.2
223.13399	100.0
224.13733	6.2
235.08243	2.4
253.09294	5.7
253.11292	0.1
254.09740	0.2
349.25293	0.2
367.26404	0.3
385.23999	0.1
393.24704	0.2
411.25275	1.0
429.26477	1.0
430.26746	0.2
441.21313	1.4
442.21616	0.2
459.22379	10.6
460.22720	1.5
595.31281	0.4
621.32806	0.4
622.32349	0.2
647.34369	0.9
648.34558	0.3
665.35168	0.7
666.35883	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30016	0.2
55.01865	0.3
57.03449	0.6
59.01091	0.2
59.01380	3.6
61.98826	0.3
66.15704	0.1
68.97173	0.1
69.03458	2.0
69.31447	1.5
71.01384	2.4
71.05027	0.8
72.99308	0.2
73.02948	0.6
75.00849	0.2
81.03435	0.1
83.01402	0.2
83.05049	0.4
85.02951	0.6
85.06596	0.5
87.00879	0.6
89.02444	1.5
93.03469	0.2
95.01345	0.3
95.05054	0.4
97.06615	0.2
101.02443	2.2
109.06577	0.5
111.08189	0.3
113.02450	1.4
119.03510	0.7
123.08184	0.2
125.09718	0.4
126.25695	0.2
135.11816	0.3
141.09239	0.2
143.03462	0.2
145.05103	0.2
149.09743	0.7
152.03635	0.2
153.09286	0.2
161.04567	1.0
161.13387	0.4
167.09471	0.3
167.10785	3.2
177.12920	0.7
179.05569	0.4
179.10783	1.0
179.14406	2.9
180.14899	0.2
187.11221	0.2
195.13896	10.1
196.14258	0.6
197.11787	0.2
205.12329	9.9
206.12733	0.5
211.13396	0.6
211.89262	0.1
223.13388	100.0
224.13731	5.5
235.08250	2.6
235.13382	0.4
253.09290	5.9
254.09654	0.3
355.91025	0.2
403.24921	0.2
411.25394	0.8
420.67279	0.2
429.26431	1.2
441.21350	1.7
459.22360	10.8
460.22690	1.2
461.73193	0.2
595.31146	0.3
621.33044	0.4
647.34491	1.0
648.34912	0.2
665.35425	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.3
61.98833	100.0
66.34464	0.3
69.28314	1.5
69.28746	1.2
77.33912	0.3
77.50287	0.3
106.32304	0.3
176.10587	0.3
195.50740	0.3
297.87604	0.3
451.11826	0.3
496.28995	0.3
622.79425	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.7
55.30904	1.4
57.03450	5.8
58.00598	4.6
59.01385	100.0
60.01693	1.2
66.47775	1.3
68.22758	1.2
69.03477	1.7
70.44970	5.0
71.01388	31.5
71.05051	2.4
72.99319	5.6
73.02956	30.1
75.00880	6.0
75.78273	1.3
81.03461	1.9
83.01395	6.7
85.02955	15.2
87.00894	16.9
87.04523	43.4
89.02441	17.1
98.61298	1.2
99.04522	2.3
101.02454	39.7
103.04013	20.6
109.02963	1.6
113.02469	9.0
115.03312	1.7
115.03996	7.5
119.03528	7.2
123.04554	10.6
125.02462	4.7
127.04015	1.5
131.03517	15.7
143.03511	20.7
145.02963	2.9
145.05077	6.6
161.04570	3.0
163.06128	68.9
164.06462	2.6
196.14186	1.6
201.11337	3.4
203.05635	2.8
205.07190	29.9
207.17517	3.2
247.08211	30.1
251.16560	3.7
265.09302	5.7
269.17599	73.5
270.18008	3.8
289.09317	3.0
293.17584	23.3
294.18094	2.2
311.18607	4.1
319.19281	2.3
323.18542	6.2
335.18582	3.6
337.20160	5.2
349.11343	1.8
376.78247	1.7
397.22324	2.7
415.23447	2.9
443.58347	1.9
446.10538	1.4
457.24405	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.6
59.01372	2.5
61.98833	2.2
63.72834	1.3
69.44420	6.0
69.44830	1.7
74.92447	1.0
76.21384	0.9
78.95911	1.0
81.03464	1.1
82.19071	1.2
83.01394	6.2
93.16729	1.0
125.02452	9.7
167.14406	7.2
181.15965	8.7
191.14384	2.6
205.15974	3.2
207.17366	1.2
209.15482	7.7
211.13431	1.6
221.19077	1.1
223.17032	9.1
225.14894	2.1
227.16463	6.9
231.17572	1.2
233.15462	6.7
241.18066	6.2
247.17015	6.3
251.16545	11.8
265.18091	15.1
275.16568	2.4
277.14407	3.4
291.16016	1.9
295.15445	2.4
307.19022	1.7
309.17047	2.6
351.17914	1.2
369.19174	3.1
383.20615	2.9
577.26428	2.2
577.34375	1.7
617.36749	8.2
618.37250	1.5
661.35883	100.0
662.36292	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	663.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	10.5
61.98833	10.1
67.09709	1.6
69.72287	7.6
69.72694	3.5
71.01372	5.3
83.01360	1.8
93.03462	23.5
101.02467	2.4
116.92815	2.0
118.99870	3.9
119.05038	7.5
131.05009	8.7
131.06992	1.8
133.06601	6.0
135.04504	2.6
145.02966	5.0
147.04552	12.9
149.06079	4.9
159.04506	8.8
163.03894	1.9
175.03938	4.1
177.05579	100.0
178.05920	4.7
211.13225	2.1
265.03482	7.1
273.37628	1.7
290.82748	1.7
333.48444	1.9
609.60822	1.9
645.32434	2.0
663.36804	6.9
690.67792	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	661.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.3
57.03430	4.2
59.01380	100.0
61.98811	3.9
70.71195	4.6
71.01385	45.4
72.99307	4.7
73.02937	10.1
73.51993	2.1
73.68195	2.1
74.85606	2.4
75.00865	9.5
77.85844	2.0
80.72958	1.9
80.96517	3.2
83.01392	11.3
84.41418	2.2
85.02955	12.3
87.00879	9.8
88.98809	4.6
89.02440	24.6
91.04024	4.1
95.01397	4.9
96.95988	7.6
99.00905	3.2
101.02449	31.0
111.00916	2.1
113.02467	27.9
119.03513	4.9
119.04990	2.6
125.02445	7.7
127.34380	2.0
143.03462	5.8
145.02991	2.8
161.02443	2.9
161.04578	13.2
179.05656	3.2
221.26822	2.3
235.08301	14.4
239.16539	3.1
253.09279	45.2
285.03845	3.4
517.00909	2.6
557.33398	30.2
560.79535	2.6
575.34393	57.4
576.34473	7.8
661.30823	7.3
661.40930	10.8
694.27246	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	661.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.5
59.01384	100.0
61.98823	6.2
66.91096	1.6
67.54241	1.5
68.79607	1.8
69.44336	4.0
69.44742	13.7
71.01389	38.8
72.99304	3.6
73.02950	12.0
73.18092	1.8
75.00850	2.9
76.71480	1.6
78.95909	1.8
81.88973	2.1
83.01383	7.6
85.02927	12.7
87.00889	7.3
87.04515	1.7
88.57004	1.6
89.02459	24.1
91.04012	6.7
95.01425	3.2
96.96030	5.6
97.06580	2.4
98.20621	2.3
99.04491	2.2
101.02464	29.5
107.33960	1.7
113.02465	20.8
113.06110	2.7
116.92775	1.8
119.03510	6.9
123.08167	11.1
125.02467	3.5
125.09738	2.3
139.04024	4.6
143.03511	5.8
145.02951	2.1
151.31171	1.7
154.27962	1.5
161.04593	11.4
163.06129	5.2
167.07191	4.5
171.10297	3.7
179.05707	3.5
183.51068	2.2
205.06998	2.2
235.08347	3.1
247.08168	2.0
253.09268	20.0
267.15927	7.7
321.24243	3.2
329.23148	2.8
342.50671	1.9
499.32867	3.6
529.07458	1.9
557.33289	43.8
558.33551	5.0
575.34357	53.5
576.34521	6.9
617.35675	4.9
618.35327	2.1
634.90918	1.9
661.37262	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	661.3229
Annotation	Minutoside A
Peak:m/z	Relative Intensity
50.92039	1.1
55.01883	1.1
57.03451	1.5
59.01384	16.7
61.98820	1.6
65.03965	4.3
69.03452	1.8
71.01036	1.6
71.01389	14.4
72.99317	1.1
73.02942	4.4
75.00886	1.9
76.80590	0.9
81.03432	1.7
83.01389	1.6
83.05022	3.0
85.02965	4.3
87.00878	4.4
89.02449	4.9
91.05547	5.1
93.03449	3.7
95.01421	1.2
95.05046	1.4
96.95987	1.2
97.02979	1.2
97.06584	2.9
98.20621	3.0
101.02448	8.1
103.05566	1.2
107.05023	3.1
109.06594	3.0
113.02484	5.0
115.05480	1.1
116.92835	3.1
117.07092	2.7
119.05032	3.2
121.06563	1.5
123.08173	3.0
125.09734	13.0
127.07658	2.2
129.07114	2.6
133.06644	2.5
135.08154	4.1
141.07101	2.0
143.04993	2.1
145.06589	3.7
159.08121	4.4
161.04555	1.9
161.06003	1.2
171.10304	1.5
173.13345	1.2
185.11824	12.1
187.09753	2.7
209.11800	4.6
211.13184	1.4
211.14909	3.2
215.10704	1.4
235.08147	3.1
235.13329	2.1
237.12801	4.5
239.10669	3.6
247.13423	1.4
253.09125	2.2
253.15843	1.3
255.13879	4.4
261.14935	2.9
273.14929	1.2
291.12296	1.2
297.14929	4.5
359.74414	1.2
363.23422	2.0
381.24469	2.7
389.21353	2.0
397.24088	1.7
405.17496	1.8
407.22345	8.2
416.54202	1.2
425.23288	11.2
426.24030	1.3
443.24506	3.3
444.24658	1.1
448.22211	1.1
643.31274	100.0
644.31696	16.9
661.32123	23.4
662.32587	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	659.432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79137	0.8
51.05466	0.8
51.27509	0.8
58.78263	0.9
59.01382	100.0
61.98824	3.2
65.46445	0.8
69.62601	1.8
69.63006	4.7
78.95901	3.7
88.59436	0.7
137.75247	0.9
152.99585	1.3
171.00629	1.0
217.35994	1.0
276.94193	0.8
279.22968	0.9
311.63937	0.8
547.44055	0.9
596.38879	2.1
614.91260	1.0
659.38269	1.7
660.42560	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35307	11.9
59.01392	100.0
60.82895	12.2
61.98838	22.7
71.01376	20.0
78.95900	18.0
85.03006	12.4
98.20626	33.9
99.86549	12.0
183.10275	16.5
191.91388	14.3
211.13379	16.4
223.13379	18.5
275.93063	12.7
403.89761	12.1
656.42578	14.7
661.30115	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87371	0.8
59.01382	100.0
61.98831	4.4
64.44330	0.8
68.89258	0.7
70.35784	2.4
77.58918	0.8
98.65214	0.7
112.44542	0.8
161.64249	0.8
275.18268	1.0
286.77774	0.8
349.60706	0.8
610.18054	0.8
647.84930	0.8
673.97723	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59947	1.0
54.75349	1.0
55.09198	0.9
57.03452	1.8
59.01379	3.2
61.98845	1.3
70.10548	4.4
77.57967	0.9
78.95908	4.3
83.01383	1.2
92.37939	0.9
115.65306	1.0
152.99533	1.2
167.14388	3.8
191.14404	4.6
209.15387	1.4
221.19139	6.9
231.17546	2.7
233.15446	4.5
245.19005	1.3
263.20026	1.9
275.16534	6.6
279.23367	1.1
289.18152	2.4
307.19196	2.2
319.15512	2.8
413.34140	1.9
437.34146	2.4
455.35547	5.0
473.36334	2.9
479.35092	3.5
481.32913	1.1
497.36243	4.4
499.34180	2.0
523.34363	2.1
541.35217	2.9
592.67224	1.1
615.39301	6.2
616.38867	1.5
638.04559	1.5
659.38007	100.0
660.38287	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	659.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38083	1.3
57.03428	1.9
59.01377	9.2
61.98831	2.9
66.49958	1.2
68.17798	1.1
69.60488	8.5
77.14692	1.4
78.95901	4.7
80.89860	1.4
83.01369	1.4
98.19838	1.2
152.99539	1.8
155.11320	1.3
155.68466	1.2
167.14407	3.2
191.14406	5.7
221.19153	6.1
231.17564	3.5
233.15459	4.6
247.17079	1.5
275.16559	6.0
289.18149	2.7
307.19150	2.0
319.15454	4.3
334.54193	1.2
413.34161	2.4
437.34225	3.6
455.35483	6.6
473.36224	3.3
479.35046	3.6
480.35278	1.6
497.36569	7.3
499.34753	2.1
523.34625	3.4
541.35510	2.3
615.39063	9.0
616.39026	3.0
659.37988	100.0
660.38214	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	658.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96866	0.9
59.01387	5.4
61.98835	100.0
70.28628	2.4
70.29021	2.4
71.09402	1.0
78.31359	1.1
93.53405	0.9
94.39678	0.9
98.20605	1.1
105.41945	1.0
112.51478	1.0
117.32417	1.0
136.60887	1.1
167.14406	3.6
191.14389	1.8
197.19121	10.9
198.19521	1.1
209.15440	5.4
211.13503	1.4
227.16495	1.7
233.15475	14.4
238.22569	1.0
243.19650	21.9
244.19937	1.7
251.16556	7.2
267.19812	2.3
277.14462	1.8
295.15533	3.0
339.18207	2.6
351.18246	9.6
402.94574	1.2
595.38470	51.7
596.38898	8.1
618.73456	1.1
625.78186	1.1
686.96246	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11437	0.5
59.01381	2.9
61.98843	1.5
69.41834	4.8
71.01382	2.5
75.00877	1.2
85.02946	0.9
86.12985	0.5
89.02474	0.6
96.96012	1.3
101.02451	1.8
119.05016	0.6
119.20740	0.5
121.02973	1.2
121.06590	1.8
122.03844	0.6
125.09756	0.6
134.03729	0.8
135.04539	2.0
136.05309	34.0
137.05669	1.1
148.05281	1.0
149.06093	13.6
150.06880	11.2
151.07480	0.7
162.06876	1.5
163.06328	1.0
163.07581	3.3
164.08403	2.0
165.09215	24.4
166.09579	1.2
171.10251	0.6
179.10829	1.4
201.11324	2.5
229.59283	0.5
293.17627	1.9
297.24442	0.8
299.22314	6.4
311.22305	2.0
315.21863	1.1
327.21796	0.8
329.23340	4.0
350.14175	0.5
418.30972	0.9
432.32529	2.0
433.33276	2.8
447.31165	2.4
457.29523	0.5
459.31104	1.5
464.31537	3.8
465.32138	8.5
466.32455	1.1
476.31384	3.0
477.32562	6.7
478.32620	1.0
494.32513	6.9
495.33801	13.3
496.33566	1.8
576.48376	0.5
594.13446	0.9
613.33557	0.8
627.37628	0.7
639.38458	2.5
654.57642	0.6
657.38641	100.0
658.38922	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	657.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.9
61.98833	1.5
70.05573	1.2
70.05937	2.7
71.01367	2.4
71.35486	0.6
72.23042	0.6
72.99305	1.6
75.00871	2.3
75.40833	0.6
79.19204	0.6
79.64156	0.6
83.01352	0.9
83.04516	0.6
85.02946	1.5
85.06577	0.6
87.00869	2.7
89.02399	0.9
93.03451	0.9
96.96003	1.0
97.06598	2.6
101.02431	2.1
109.02951	0.8
109.06600	1.6
113.02460	0.9
116.05042	2.7
119.05021	1.7
122.03728	1.0
127.07668	0.8
129.62804	0.6
135.04547	1.9
136.04294	1.1
136.05304	15.4
138.06915	0.8
143.07129	0.6
144.04546	1.5
145.02951	1.0
147.04570	0.8
147.08104	0.7
148.05310	1.1
149.06067	6.2
150.06880	6.0
151.07689	3.5
155.58377	0.7
158.06079	2.2
161.02449	2.1
163.06104	1.7
163.07582	1.4
164.08405	1.1
165.07927	1.0
165.09207	13.2
173.08148	1.4
185.16872	0.6
202.05168	3.4
214.05173	0.8
215.09219	1.9
215.23032	0.6
247.08249	1.0
260.10861	0.9
285.04236	0.8
285.17126	0.9
287.11942	3.9
288.12445	0.7
289.10638	0.7
298.76456	0.7
321.20828	1.1
327.21796	1.7
329.19696	6.1
331.10892	3.8
350.21082	1.1
413.26920	2.3
448.27899	0.7
477.28659	3.5
490.16138	2.1
494.29053	3.9
495.29575	22.8
496.30042	3.0
657.34930	100.0
658.35382	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	3.2
61.98831	0.5
64.61289	0.5
67.71377	0.5
71.01378	1.8
71.16336	0.6
71.16683	1.2
72.99303	1.5
75.00893	2.6
75.39460	0.5
80.96552	0.6
85.02947	1.5
87.00887	2.1
89.02457	1.4
93.05779	0.5
96.96026	1.1
97.02956	0.6
97.06594	1.7
99.00867	0.7
101.02438	1.7
103.04019	0.6
109.02976	0.9
109.06583	0.9
110.92355	0.5
113.02435	1.1
115.04042	0.8
116.05023	1.2
118.99899	0.9
119.03581	0.7
119.05023	1.5
121.06561	0.6
122.03716	1.6
123.04530	0.8
127.07657	0.8
135.04520	1.7
136.05309	16.7
138.06816	1.0
143.07108	1.1
144.04579	2.2
145.02956	1.1
147.04510	0.7
149.06094	5.2
150.06882	5.8
151.07605	2.1
157.05508	0.6
158.06113	2.8
159.04558	0.6
161.02441	1.9
163.06168	1.2
163.07584	1.0
164.08408	1.2
165.07932	0.9
165.09218	13.4
173.08154	1.4
175.05186	1.0
202.05173	3.4
205.07164	0.9
214.05086	1.3
215.09256	2.5
237.04033	0.6
247.08243	0.8
260.10922	0.7
285.17035	0.8
287.11996	3.7
313.20105	0.8
321.20709	0.8
327.21692	1.0
329.19684	7.1
331.10892	3.8
336.94464	0.6
349.11462	0.5
350.20856	0.9
361.10324	1.0
413.26907	2.2
425.94675	0.6
434.26761	0.6
448.28433	0.9
449.29099	0.9
477.28442	2.3
490.15952	1.8
494.28894	4.9
495.29651	24.9
496.29984	3.1
567.03162	0.6
657.34943	100.0
658.24689	1.2
658.35236	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	656.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	10.2
61.98832	100.0
67.57459	2.0
70.81100	2.5
70.81458	4.3
71.01387	3.7
72.03957	2.1
89.02470	3.3
96.96069	2.1
98.20016	2.3
108.57556	2.2
109.02988	4.0
109.06580	6.0
113.02474	3.2
121.02966	29.9
163.11194	3.5
169.12311	2.9
185.11794	2.0
207.10318	10.3
208.10661	2.8
209.04555	22.2
211.13428	20.7
223.13434	3.0
225.11317	7.6
253.09300	2.3
375.18039	3.6
383.22552	2.6
401.23419	6.0
439.06396	2.4
471.35437	2.6
555.42297	2.4
593.13141	18.3
637.32416	6.2
638.32709	7.4
654.57574	2.3
655.33081	4.7
656.33673	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	656.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73133	0.8
55.67887	0.9
57.84956	0.7
61.98833	30.4
65.00328	0.9
66.33194	0.8
67.17681	1.0
69.25434	3.3
69.25854	5.9
71.21438	0.9
78.28549	0.8
78.74932	0.8
81.99326	0.9
85.83437	0.8
105.33960	0.8
107.01437	1.6
133.57768	0.8
139.19212	1.1
140.78125	0.7
151.00423	4.2
183.38896	0.9
211.04034	1.6
227.03511	28.4
228.03694	1.6
229.05009	3.5
250.04730	0.9
255.02994	53.6
256.03510	5.8
257.04562	2.7
284.03265	91.9
285.03989	35.2
286.04407	2.4
366.93979	0.9
397.38885	0.8
593.15100	100.0
594.15381	15.5
622.49133	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81897	1.1
52.68152	1.1
61.98830	22.9
65.32549	1.1
69.69021	7.4
75.94147	1.1
93.03461	1.3
96.27087	1.1
98.20575	1.5
107.01417	1.3
118.18003	1.3
121.34627	1.1
135.00917	1.4
151.00388	2.8
163.00388	2.2
169.13657	1.3
177.26331	1.5
181.44844	1.3
181.62012	1.3
185.06096	1.8
187.03961	1.7
211.04041	1.3
227.03514	20.6
229.05045	7.0
239.03610	1.3
247.75636	1.2
255.02983	39.2
256.03616	4.5
257.04590	3.7
259.41708	1.3
267.03040	1.3
284.03271	44.9
285.04047	59.7
286.04465	3.6
317.58746	1.3
396.82312	1.4
593.15137	100.0
594.15430	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	657.259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.6
61.98842	4.4
71.01395	1.0
71.04958	0.7
71.61361	1.5
71.61737	0.9
73.02966	2.0
75.00874	2.7
78.95906	1.8
89.30156	0.8
99.92591	15.3
100.35065	0.9
100.92578	1.2
116.07161	0.9
116.92869	100.0
117.01984	4.0
117.92903	4.7
136.20895	0.8
141.01680	1.2
146.56239	0.8
211.13353	1.6
258.68924	0.9
561.46313	0.9
656.37250	1.1
657.38013	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50179	1.4
59.01390	2.7
61.98835	36.0
71.60972	2.8
75.00888	2.3
85.04270	1.3
86.37448	1.3
96.96030	5.2
102.82735	1.5
107.01395	1.8
110.59989	1.4
117.03477	2.5
119.05060	4.5
120.79575	1.4
126.01810	1.4
132.17471	1.5
135.04539	1.8
144.08438	1.4
145.02983	10.9
151.00407	4.6
158.78300	1.4
163.00465	1.9
163.04083	2.3
164.62762	1.2
187.04044	1.7
199.03983	1.6
213.05605	1.5
227.03516	23.0
229.05000	6.7
239.03516	2.3
255.02995	45.6
256.03662	7.7
257.04517	3.8
284.03256	54.6
285.04037	68.8
286.04318	3.8
493.32431	1.8
593.13062	100.0
594.13434	15.3
655.36438	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	656.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80391	0.9
51.09636	0.9
55.55350	0.9
61.78341	0.8
61.98834	51.3
64.95815	0.9
65.00329	1.1
69.76720	4.6
79.66441	0.8
82.93434	0.8
94.02574	1.0
98.20562	1.1
103.67826	0.8
107.01383	1.6
114.52417	0.9
117.03472	1.5
119.05043	1.3
136.09567	0.9
145.02974	9.9
151.00372	2.8
152.21614	0.8
159.04607	1.1
163.00340	1.3
163.03954	1.7
168.61870	1.0
185.06055	1.3
187.03868	1.5
201.05626	0.9
211.04022	1.8
227.03484	20.6
229.04990	4.9
255.02975	36.6
256.03607	5.8
257.04626	3.3
284.03281	48.9
285.04041	56.4
286.04379	3.1
307.08209	2.4
329.45959	1.1
414.87119	1.0
447.09256	1.4
455.00061	1.0
593.13019	100.0
594.04663	1.5
594.13416	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	655.3701
Annotation	Russelioside A
Peak:m/z	Relative Intensity
57.03451	0.7
59.01388	3.1
61.37507	0.5
61.98819	1.1
70.29872	1.7
70.30263	1.2
71.01380	2.1
71.05001	0.6
73.02954	1.0
78.37293	0.6
81.03370	0.6
83.01353	0.8
85.02945	1.2
87.00878	1.3
89.02444	0.8
96.95995	0.8
97.06563	0.7
101.02439	1.7
109.06592	1.8
111.04546	1.5
113.02413	0.8
113.18360	0.6
118.99638	0.6
121.06629	1.4
135.04485	1.4
136.05307	22.4
136.06348	1.1
137.05939	0.8
148.05322	0.9
149.06085	9.9
150.06876	15.8
162.06851	1.8
163.07683	4.2
163.11308	1.2
164.08443	3.3
165.07921	1.1
165.09212	13.1
171.10214	1.0
176.74333	0.6
179.07155	0.8
179.10738	4.3
185.11842	1.1
192.41136	0.7
207.10286	3.6
209.11929	0.7
211.13385	6.8
221.15396	0.8
225.11346	1.4
235.08284	1.0
249.18523	0.7
263.20053	0.9
313.20322	2.0
327.21796	5.7
383.22153	1.3
401.23270	2.9
414.27542	0.7
419.24268	1.9
429.30023	2.0
432.28580	3.5
446.30252	2.5
447.31268	7.2
448.31369	1.0
474.30090	1.8
475.30933	3.2
477.32962	0.8
492.31158	4.4
493.31729	28.2
494.31943	4.0
535.33020	0.8
619.31342	0.8
637.32373	7.2
638.32709	1.5
655.37000	100.0
656.37402	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57956	1.8
55.01872	1.8
57.03437	2.4
59.01378	36.1
61.98819	1.9
69.03481	2.7
69.64755	10.6
71.01385	21.6
72.99322	2.4
73.02950	12.8
75.00890	2.1
77.27776	1.5
81.03452	3.1
83.01369	4.2
83.05031	2.6
85.02960	8.0
87.00880	7.5
87.04491	2.1
89.02443	12.7
95.01449	2.2
95.05022	3.1
97.02960	5.2
97.06594	2.7
97.35155	1.7
99.00883	2.2
101.02443	20.0
103.04034	2.0
107.64122	1.4
109.06591	23.8
110.03728	2.7
113.02464	9.6
119.03505	4.0
121.06548	2.0
125.02435	1.9
125.09706	6.3
131.03513	2.6
135.08167	3.8
136.05287	3.0
137.06042	2.0
142.02625	1.5
143.03514	2.8
145.05040	4.3
156.13721	1.4
161.04504	5.4
161.09671	2.5
163.06099	9.6
163.07500	3.3
163.11270	13.9
171.10277	3.7
181.12317	3.5
183.13959	7.2
185.11847	13.3
189.09151	1.7
193.12294	1.9
205.07133	2.9
205.12305	2.5
207.10271	54.2
208.10622	2.6
209.11736	7.2
211.13399	88.2
212.13737	4.5
217.12384	5.7
221.15450	4.9
223.13414	1.9
225.11302	23.0
231.13855	2.5
232.51434	1.4
233.11931	2.7
235.08281	8.8
240.62482	1.4
247.08205	2.4
247.13347	3.2
251.12883	5.9
253.09296	11.7
261.11316	3.4
275.12735	1.8
277.18173	1.7
303.12335	3.8
311.23703	1.7
321.22260	2.4
329.24716	3.0
339.23297	9.2
355.22488	2.9
357.20410	2.0
357.24411	5.0
365.21130	3.3
373.23868	13.3
375.21567	3.1
383.22244	33.9
384.22635	5.2
391.24875	8.4
401.23331	59.1
402.23666	6.5
419.24390	22.4
420.24838	3.0
443.19131	2.3
447.22302	2.1
449.18094	6.6
461.20184	6.6
475.27267	3.2
493.27472	3.2
609.32544	5.6
611.30963	4.6
619.31451	13.9
620.31232	2.1
637.32281	100.0
638.32599	16.3
655.33282	26.9
656.34540	5.1
670.53491	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53246	1.4
55.01889	2.0
58.86837	1.4
59.01381	20.6
69.03436	2.2
71.01385	14.3
71.19157	3.1
73.02958	2.9
81.03444	3.6
83.01371	2.5
83.05021	2.7
85.02943	5.2
87.00872	4.4
89.02456	10.6
95.01375	1.8
95.04993	2.3
95.99274	1.5
97.02958	7.3
97.06559	2.4
99.00880	1.7
101.02454	12.7
109.06593	25.8
110.03699	2.1
113.02457	5.8
116.14746	1.3
117.53426	1.3
121.06578	3.6
125.09707	5.8
133.10127	1.4
135.08151	4.0
141.12910	1.6
142.02664	1.5
145.05089	3.1
161.04567	6.0
161.09743	2.1
163.11287	17.1
171.10252	3.3
171.44154	1.5
174.48300	1.4
181.12325	3.3
183.13937	9.1
185.11839	15.4
189.09172	1.6
193.12352	1.8
203.14363	2.6
205.12326	2.9
207.10274	58.2
208.10574	2.0
209.12010	1.5
211.13390	100.0
212.13687	5.2
221.15454	4.9
223.13406	3.4
223.21114	1.4
225.11319	28.5
226.11667	1.9
231.13933	1.8
233.11852	4.0
235.08220	9.7
247.13110	1.6
247.54530	1.4
249.14961	2.9
251.12866	7.4
253.09325	7.9
255.42546	1.4
277.17957	1.8
329.24911	2.6
331.22937	1.7
339.23285	7.8
344.66489	1.4
345.24927	1.5
355.23050	3.1
357.24521	3.2
365.21173	2.4
373.23834	10.1
373.55109	1.6
383.22241	23.8
384.22296	1.6
391.25034	10.6
392.25116	1.8
401.23386	41.9
402.18518	1.5
402.23547	4.4
419.24423	19.7
420.24780	3.8
443.19257	3.4
447.22186	1.9
461.20419	8.1
493.28201	2.7
609.33044	10.1
611.31268	2.1
619.31335	9.4
620.32355	2.8
627.33484	3.2
637.32257	99.9
638.32538	18.5
655.33246	37.4
656.33960	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	655.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24587	1.3
57.03458	1.8
59.01383	19.5
66.54610	1.3
69.03466	2.1
71.01391	13.5
72.99331	1.7
73.02943	3.2
81.03459	2.6
83.01387	3.1
83.05016	2.1
85.02950	6.0
87.00875	6.5
89.02452	7.5
92.11938	1.2
93.03477	2.3
95.05025	2.7
97.02951	5.6
97.06594	2.6
98.19814	2.5
99.00860	2.2
101.02464	11.6
109.06593	21.4
113.02453	10.1
119.03516	1.5
121.06608	2.7
125.09731	5.3
135.04539	1.4
135.08179	1.9
142.02612	1.5
145.05029	3.7
161.04524	5.0
161.09746	2.7
163.11273	12.2
171.10222	3.4
181.12273	3.2
183.13838	11.0
185.11787	11.1
193.12416	2.9
203.14456	2.5
205.12375	3.0
207.10269	57.8
208.10432	2.1
209.11681	1.6
211.13396	100.0
212.13776	6.3
221.15532	4.5
223.13391	2.6
225.11298	23.4
229.11365	1.5
233.11812	3.7
235.08235	9.5
235.10361	1.7
247.13351	3.2
249.14868	1.5
251.12895	5.0
253.09270	8.9
267.16006	1.5
299.15048	2.2
311.23947	2.2
321.22424	2.5
329.24759	1.9
339.23044	7.7
355.22565	2.1
357.24496	3.2
365.21356	1.9
373.23959	10.0
375.21652	1.9
383.22284	23.2
384.22626	2.4
391.24979	9.7
394.51337	1.5
401.23376	43.8
402.23785	4.9
419.24469	19.2
420.24509	2.8
443.19186	2.6
444.20813	1.5
447.22311	3.1
461.20160	6.7
609.32452	9.2
611.30194	2.0
619.31281	11.1
620.32080	2.3
627.33868	2.4
637.32275	87.1
638.32538	15.7
655.33282	29.4
656.33978	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	655.334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92794	1.5
57.03440	1.7
59.01381	21.4
61.98835	1.3
69.34116	3.7
69.34542	7.8
71.01389	15.9
73.02943	4.6
75.09995	1.1
81.03463	2.3
83.01404	2.4
83.05037	4.6
85.02961	3.7
87.00892	4.5
89.02456	8.0
89.02926	1.5
95.01414	1.3
95.05042	2.4
95.51655	1.2
96.06068	1.1
96.96017	4.5
96.96939	1.3
97.02965	8.4
97.06596	3.0
98.20642	2.3
101.02450	12.0
107.05054	1.4
109.06600	23.3
113.02457	5.8
119.03526	2.3
123.04588	1.7
123.08140	1.5
125.02464	2.2
125.09700	7.1
135.08170	3.6
142.02707	1.5
145.04999	2.9
151.69945	1.2
161.04549	4.2
161.09738	2.7
163.11320	13.4
165.05589	4.8
171.10281	2.4
181.12381	3.0
183.13896	9.3
185.11853	14.2
193.12364	2.5
203.14450	1.5
205.12418	2.3
207.10277	52.5
208.10567	2.9
209.11743	1.5
211.13402	100.0
212.13718	6.3
221.15482	4.5
223.13480	2.6
225.11334	21.9
233.11861	3.6
235.08231	11.3
247.13383	2.0
249.15016	2.8
251.12961	5.3
253.09290	12.1
275.13104	1.8
277.51440	1.3
329.24857	2.6
331.22809	1.8
337.21628	1.5
339.23254	8.6
355.22830	4.0
357.24316	5.3
373.23651	9.2
375.21606	1.4
383.22308	21.0
384.22455	4.0
391.24908	9.0
401.23340	44.9
402.23599	5.3
419.24387	14.3
443.19046	2.5
447.22601	3.1
461.20441	6.2
467.16797	1.6
560.11792	1.5
609.32983	8.8
610.32959	1.9
611.31000	3.0
619.31262	9.7
627.33685	3.1
637.32300	94.8
638.32770	17.5
655.33264	32.0
656.33368	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	655.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90667	1.3
57.03455	1.7
59.01384	23.0
60.12683	1.2
61.28613	1.5
69.03481	1.7
70.91076	2.9
71.01378	14.4
72.99313	1.8
73.02947	4.7
75.00921	1.5
81.03465	2.7
83.01381	2.6
83.05026	2.7
85.02956	5.7
87.00903	4.5
89.02447	7.7
95.01431	2.3
95.05019	1.8
97.02936	6.9
97.06591	2.3
101.02448	13.4
109.06589	32.1
110.03727	2.0
110.14764	1.4
113.02470	6.4
119.03549	2.7
121.06583	1.8
123.08115	1.7
125.09716	7.1
131.03517	1.6
135.08119	3.1
145.05083	2.8
151.33470	1.4
161.04567	4.5
163.11276	17.7
165.05597	2.2
171.10255	3.2
181.12405	1.9
183.13898	6.6
185.11836	17.9
187.09789	1.6
193.12309	3.2
193.91081	1.4
195.06323	1.5
203.14635	1.5
205.12411	1.8
207.10263	70.7
208.10556	3.5
209.11865	4.0
211.13387	96.2
212.13762	3.8
213.12982	1.6
221.15431	4.7
223.13466	3.1
225.11308	29.9
226.11710	3.0
226.18802	1.6
231.13799	3.5
233.11841	2.8
235.08276	6.4
247.13441	2.6
249.14943	2.6
251.12871	5.2
253.09264	12.7
265.18039	1.7
321.22363	2.3
329.24698	3.4
339.23181	8.6
347.25909	2.1
355.22778	4.0
357.24338	4.2
359.31732	1.9
373.23904	11.1
375.21500	2.3
383.22238	23.4
384.22632	2.9
391.24963	10.4
401.18051	2.6
401.23383	42.7
402.23660	5.1
419.24365	24.5
443.19431	4.3
447.22574	3.5
461.20236	9.9
475.27225	2.5
493.28070	2.8
552.27124	1.7
609.32788	10.2
611.31781	3.1
619.31281	11.2
620.32916	1.9
627.34198	4.6
637.32257	100.0
638.32678	21.6
638.42529	2.0
655.33215	40.1
656.33588	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	655.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15343	2.4
59.01385	100.0
61.98832	5.4
66.30850	2.2
66.40598	2.4
69.29409	23.0
71.01396	3.2
92.07084	2.1
99.92571	3.2
114.94926	2.5
115.72852	2.3
116.92866	27.5
134.41731	2.4
141.01718	71.8
142.05124	3.9
171.94714	3.2
207.85947	2.4
211.13458	3.7
245.62791	2.2
275.06180	3.2
277.21741	4.4
339.00247	3.7
383.22043	2.6
399.43634	2.8
427.56531	2.5
540.56403	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	655.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.5
59.01372	7.1
60.63509	1.8
61.98841	1.8
69.43450	15.7
71.01395	4.5
75.00890	3.0
81.03444	1.9
83.01382	5.3
93.03463	22.6
98.07542	2.5
98.20663	3.5
113.02479	2.1
118.99879	5.7
119.05025	7.9
125.02449	5.2
127.93622	2.0
131.05025	9.7
133.06631	8.3
135.04561	2.1
135.79622	1.5
136.78458	1.5
145.02968	8.0
147.04526	12.4
149.06053	5.8
159.04498	7.5
164.25601	1.9
175.03951	3.1
177.05562	77.0
178.05843	3.2
195.17552	5.0
207.10240	5.4
209.11731	1.8
211.13394	11.4
219.17549	6.0
221.04521	3.0
222.11780	1.8
223.13246	2.0
225.11400	2.1
235.20610	4.5
247.74373	1.8
253.09235	3.5
259.20609	16.6
261.18661	3.9
265.03503	5.6
265.14496	1.9
277.74936	2.1
293.21213	4.1
301.21893	12.1
303.19830	8.7
321.20624	2.2
345.20764	17.6
347.18762	2.2
352.61017	1.8
389.19699	100.0
390.20126	10.9
401.23422	2.6
414.31848	1.8
495.04779	2.0
539.44019	1.8
567.40906	2.1
637.32574	2.9
655.32532	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26435	0.1
55.01876	1.3
56.38454	0.1
57.03456	1.0
58.00595	2.4
59.01384	41.9
60.01724	0.3
61.98845	0.2
67.01902	0.4
68.99811	0.6
69.03454	2.1
71.01387	38.4
71.44868	0.2
72.01732	0.5
72.99310	2.9
73.02956	6.7
75.00887	0.8
81.03469	1.6
83.01393	4.6
83.05038	0.2
85.02955	8.6
86.00114	0.4
86.03248	0.2
87.00883	9.7
87.04531	0.3
88.01199	0.2
89.02451	33.4
90.02788	0.5
91.04015	0.7
93.03472	0.5
95.01385	2.9
95.05032	0.2
97.02956	6.3
98.03277	0.2
98.20330	0.2
99.00886	2.3
99.04536	0.6
101.02450	30.8
102.02798	0.6
103.00354	0.2
103.04020	0.4
109.02968	0.7
111.00912	0.7
111.04527	0.9
112.01701	0.2
113.02454	14.9
114.02782	0.5
115.04011	0.7
115.69064	0.1
119.03509	10.4
120.03918	0.2
121.02984	0.6
123.00883	0.4
123.04552	0.3
124.01691	0.3
125.02452	13.1
126.02798	0.5
127.04044	0.5
129.01947	0.4
131.03491	1.9
133.05089	1.1
137.02437	0.3
139.03998	1.2
141.01950	0.7
142.02826	0.2
143.03508	6.4
144.03802	0.2
149.02501	0.3
149.04538	1.2
151.04004	0.3
155.03517	0.2
157.05066	0.2
161.04567	7.5
162.04922	0.2
167.03508	0.9
169.05074	0.5
171.02960	0.2
179.05615	6.3
180.06012	0.2
181.05145	0.2
185.04544	0.8
199.06181	0.8
203.05664	0.4
209.04634	0.1
217.07196	1.3
219.05144	0.4
221.06657	2.5
235.08226	14.2
236.08574	0.6
237.22192	0.2
245.06639	0.6
253.09277	3.4
254.09572	0.2
255.23299	100.0
256.23630	8.1
263.07758	1.6
269.24905	0.7
277.09335	1.1
287.07742	3.4
288.07950	0.2
297.24399	0.2
305.08792	4.4
306.09079	0.3
323.09796	2.0
361.11319	0.4
379.12460	1.1
397.13510	84.1
398.13852	6.3
415.14581	32.4
416.14975	2.1
653.37799	0.6
654.38953	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60107	0.3
59.01385	4.0
61.98850	0.4
66.09431	0.3
68.70376	0.3
69.03470	1.6
71.01384	2.8
71.05052	0.5
71.61106	0.6
73.02950	0.6
73.23355	0.3
83.01417	0.4
83.05056	0.7
85.02956	0.9
87.00893	0.7
89.02454	1.8
93.03549	0.3
97.43562	0.3
98.55905	0.3
101.02451	2.9
113.02475	1.4
119.03503	0.9
143.03499	0.4
151.11407	0.3
161.04588	1.0
165.12889	0.3
167.10738	2.3
167.14445	0.6
177.12891	0.5
179.05579	0.6
179.10788	0.6
179.14484	2.0
183.13898	6.2
193.12334	1.6
195.13911	7.2
205.12331	7.5
206.12712	0.5
211.13411	100.0
212.13742	5.6
223.13405	70.8
224.13750	4.2
235.08261	3.3
253.09299	7.5
355.26270	0.3
399.25305	0.8
417.26346	1.2
429.21042	0.7
441.21152	0.9
447.22333	5.6
448.22699	0.5
459.22437	6.2
461.32559	0.4
529.95416	0.3
617.28937	0.4
635.33716	1.1
653.38007	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57285	0.2
55.01876	1.8
56.99819	0.3
57.03457	1.3
58.00591	1.8
59.01384	44.0
60.01735	0.3
67.01913	0.2
68.99820	0.5
69.03450	2.7
71.01386	37.6
72.01707	0.5
72.99307	2.3
73.02953	7.4
75.00877	0.7
81.03454	1.4
83.01392	4.5
83.05053	0.2
85.02956	8.6
86.00096	0.4
87.00879	9.2
87.04524	0.2
89.02450	33.9
90.02785	0.4
91.04004	0.7
93.03487	0.7
95.01381	3.1
95.05034	0.3
97.02959	6.5
98.03291	0.3
99.00887	2.7
99.04533	0.4
101.02450	31.6
102.02788	0.6
103.04025	0.4
106.50023	0.2
109.02949	0.7
111.00894	0.7
111.04519	1.1
113.02458	15.0
114.02751	0.4
115.03993	0.9
119.03507	9.8
121.02948	0.8
123.00891	0.3
124.01725	0.3
125.02455	14.4
126.02777	0.5
127.04002	0.3
129.01981	0.3
131.03479	2.0
133.05092	1.4
137.02415	0.3
139.04010	1.1
141.01938	0.8
143.03505	6.1
149.04543	0.8
157.05173	0.3
161.04558	7.8
167.03497	0.9
169.05051	0.5
171.03033	0.5
179.03377	0.3
179.05624	6.5
181.05089	0.3
185.04523	0.7
199.06004	0.4
203.05624	0.4
212.76300	0.2
217.07236	1.2
219.05038	0.5
221.06645	2.2
224.42004	0.2
227.29697	0.2
229.23459	0.3
235.08234	14.2
236.08543	0.9
245.06755	0.6
253.09344	3.5
255.23303	100.0
256.23651	7.4
263.07742	1.6
269.24860	0.7
277.09283	1.0
287.07715	3.9
305.08752	4.1
306.09164	0.5
323.09793	2.2
361.11432	0.4
379.12411	0.9
397.13510	80.0
398.08948	0.4
398.13879	6.5
415.14575	30.9
416.14883	2.8
466.74899	0.2
593.66809	0.2
653.37640	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84932	0.3
57.03439	0.7
59.01383	3.7
61.98812	0.7
68.98380	0.4
69.03463	1.9
71.01381	3.7
71.05008	0.4
71.61635	0.5
72.47858	0.4
73.02920	0.7
75.00844	0.6
83.01367	0.7
83.05025	0.8
84.70020	0.4
85.02934	1.4
86.36843	0.4
87.00868	0.8
89.02441	2.5
95.05006	0.4
101.02442	3.3
113.02438	1.6
119.03484	0.7
125.02409	0.8
125.65381	0.4
135.57327	0.3
143.03456	0.5
145.05103	0.4
149.09735	0.6
161.04546	1.3
161.13364	0.4
167.10771	2.2
167.14394	0.7
177.12764	0.4
179.05695	0.5
179.10771	0.6
179.14397	1.8
183.13902	6.0
184.14305	0.4
193.12334	2.1
195.13919	5.8
196.14256	0.5
205.12320	7.0
206.12700	0.5
211.13402	100.0
212.13770	5.9
223.13405	65.7
224.13751	3.8
235.08287	3.3
253.09317	7.5
253.21832	0.8
297.30905	0.4
355.26657	0.4
397.13336	0.4
399.14081	0.6
399.25494	1.2
417.26514	1.0
429.20963	0.4
441.21414	1.1
447.16400	0.7
447.22293	6.6
447.27814	0.5
448.23337	0.5
459.16046	0.3
459.22287	6.3
460.22589	0.7
461.32864	0.4
609.32452	0.6
613.62903	0.5
635.34674	1.4
653.38525	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.136
Annotation	Unknow
Peak:m/z	Relative Intensity
66.41398	0.7
71.01369	0.8
71.60181	0.9
72.99328	0.8
75.00890	1.7
77.20003	0.8
83.01404	2.0
93.03460	23.5
107.05045	1.7
109.02967	4.2
117.03485	1.1
118.99845	5.3
119.05035	9.0
121.02982	1.9
121.06652	1.1
130.04248	2.0
131.05026	10.3
133.06602	8.7
135.04562	1.5
139.04016	3.1
140.90010	0.8
145.02972	7.4
147.03372	1.0
147.04527	16.4
149.06096	4.7
151.03859	0.9
156.89528	2.1
158.03770	1.6
159.04533	8.0
161.02425	1.2
163.04016	1.7
175.03987	4.5
177.05585	100.0
178.05884	4.3
193.04993	0.8
221.04509	1.4
265.03549	7.0
306.88681	1.0
337.16229	0.7
360.93896	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08762	0.3
62.96413	0.5
71.51373	0.5
78.95907	100.0
79.74937	0.3
107.26004	0.3
129.66565	0.3
149.00090	5.2
179.01225	0.5
179.38461	0.3
205.15953	2.3
238.97583	0.3
285.12634	4.0
355.16772	2.4
385.17859	1.3
407.05725	0.3
417.12598	0.5
447.13391	5.7
448.13885	0.5
653.30145	58.6
654.30518	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	651.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.3
57.03450	0.9
58.00581	2.0
59.01383	30.7
61.98832	0.8
64.96253	0.5
68.99779	0.6
69.03461	1.4
71.01385	29.7
71.61334	0.7
72.99306	2.1
73.02962	5.5
75.00855	0.9
81.03441	1.5
81.35715	0.5
83.01389	3.5
85.02954	7.0
87.00882	7.3
89.02448	27.8
90.02815	0.6
91.04002	0.9
95.01392	2.2
97.02947	4.9
99.00879	1.0
101.02450	26.4
109.02974	0.6
111.04485	1.2
113.02451	13.2
115.04018	0.9
119.03502	10.2
123.00830	0.6
125.02443	11.5
131.03508	1.6
133.05098	1.0
141.02058	0.6
143.03505	5.2
149.04561	1.4
161.04591	5.2
167.03476	0.6
179.05585	5.9
185.04576	0.6
200.54897	0.6
202.89445	0.6
209.11722	0.7
218.76413	0.7
219.05070	0.7
221.06674	2.4
233.70203	0.6
235.08220	13.6
236.08710	0.7
253.09300	2.6
253.21722	100.0
254.22040	6.4
263.07703	1.7
277.09418	0.7
287.07733	3.2
305.08762	3.6
323.09796	1.5
397.13504	73.8
398.13791	4.5
415.14572	29.5
416.14975	1.9
454.41440	0.7
610.63251	0.7
614.26422	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.3
57.03450	0.9
58.00581	2.0
59.01383	30.7
61.98832	0.8
64.96253	0.5
68.99779	0.6
69.03461	1.4
71.01385	29.7
71.61334	0.7
72.99306	2.1
73.02962	5.5
75.00855	0.9
81.03441	1.5
81.35715	0.5
83.01389	3.5
85.02954	7.0
87.00882	7.3
89.02448	27.8
90.02815	0.6
91.04002	0.9
95.01392	2.2
97.02947	4.9
99.00879	1.0
101.02450	26.4
109.02974	0.6
111.04485	1.2
113.02451	13.2
115.04018	0.9
119.03502	10.2
123.00830	0.6
125.02443	11.5
131.03508	1.6
133.05098	1.0
141.02058	0.6
143.03505	5.2
149.04561	1.4
161.04591	5.2
167.03476	0.6
179.05585	5.9
185.04576	0.6
200.54897	0.6
202.89445	0.6
209.11722	0.7
218.76413	0.7
219.05070	0.7
221.06674	2.4
233.70203	0.6
235.08220	13.6
236.08710	0.7
253.09300	2.6
253.21722	100.0
254.22040	6.4
263.07703	1.7
277.09418	0.7
287.07733	3.2
305.08762	3.6
323.09796	1.5
397.13504	73.8
398.13791	4.5
415.14572	29.5
416.14975	1.9
454.41440	0.7
610.63251	0.7
614.26422	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.9
57.03442	1.0
58.00589	1.7
59.01385	33.2
61.98834	0.9
68.97391	0.4
69.03458	0.9
71.01387	29.7
72.99325	2.3
73.02959	4.6
75.00870	0.7
81.03463	1.4
83.01390	2.9
85.02962	6.4
87.00882	6.2
89.02452	29.4
90.02807	0.5
91.04025	0.6
95.01408	2.3
97.02965	4.5
99.00896	1.6
101.02450	24.5
113.02459	11.3
119.03492	8.2
125.02453	6.5
127.03912	0.4
131.03494	1.6
133.05055	0.4
139.04057	0.6
141.01920	0.5
143.03513	4.6
149.04567	1.2
161.04561	4.9
167.03467	0.4
179.05632	8.3
221.06635	2.6
235.08224	7.2
253.09378	2.5
253.21725	27.7
254.22044	2.4
263.07684	1.4
277.09351	0.6
287.07825	1.3
305.08710	1.1
323.09732	0.7
379.12396	0.5
397.13525	38.6
398.13861	3.1
415.14581	100.0
416.14938	7.7
472.74374	0.4
606.21735	0.4
612.98352	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89800	0.6
55.01882	1.3
57.03435	0.8
58.00584	1.7
58.15525	0.8
59.01383	35.6
61.98817	1.3
69.03467	3.0
71.01389	32.6
71.61037	1.3
72.99321	2.6
73.02953	5.5
75.00880	1.2
76.74404	0.8
81.03460	1.2
83.01382	5.1
85.02950	8.4
87.00883	8.6
89.02454	32.0
89.02998	1.7
95.01403	2.2
97.02945	5.7
99.00885	2.2
101.02447	28.9
111.00874	0.7
113.02463	13.2
119.03520	10.2
125.02438	11.5
125.95468	0.8
131.03448	1.0
133.04164	0.8
133.05110	1.0
139.04021	1.0
143.03514	5.2
149.04568	1.1
156.68311	0.8
160.92929	0.8
161.04527	7.7
167.03532	1.0
179.05624	5.7
192.01704	0.8
200.35324	0.8
207.10274	0.8
221.06671	3.2
223.13625	1.5
233.19139	1.2
235.08223	12.6
251.20180	100.0
252.20447	7.4
253.09328	4.8
263.07794	1.1
277.09235	1.2
287.07791	4.0
305.08795	2.8
306.82199	0.9
397.13522	76.1
398.13739	5.8
415.14594	31.8
416.15018	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	9.4
61.98828	4.2
66.68634	1.1
67.87094	1.2
69.41113	10.2
71.01379	5.9
73.02949	2.1
75.00844	1.8
82.84933	1.1
85.02968	2.1
89.02448	2.3
91.97048	1.1
95.03799	1.5
96.08224	1.4
101.02457	2.7
110.06159	1.2
113.02511	1.3
116.92863	2.3
119.05005	1.5
123.06894	2.1
124.07687	2.4
134.06117	4.0
136.07686	25.1
138.05734	1.1
138.09268	7.5
145.02968	1.3
149.08432	1.1
160.06389	2.2
161.04565	1.3
161.07185	3.6
162.05675	6.0
164.10808	20.8
173.07248	2.1
173.10884	1.5
175.08778	2.7
185.10892	3.0
187.08739	2.4
188.09503	3.9
189.10339	5.5
197.10808	2.3
199.08748	5.3
199.12389	19.4
201.10342	1.3
208.09782	21.2
209.91747	1.2
213.06715	12.3
213.10365	2.1
213.14021	3.7
214.07445	14.2
214.11111	4.0
215.08246	13.1
215.11841	8.1
216.12648	1.8
223.08820	1.5
225.10327	23.8
226.07375	1.3
227.08257	14.8
229.09814	22.1
229.13365	2.5
237.10393	1.9
238.10869	2.4
239.08231	2.5
239.11900	18.7
240.09065	9.5
240.12302	1.3
241.09828	44.5
242.10504	12.0
243.11317	4.7
247.10873	7.7
253.09796	2.0
254.10535	7.2
255.11430	11.7
257.12988	3.7
268.08432	4.3
269.09326	11.5
269.12497	6.2
273.12543	1.6
275.14081	7.6
279.15875	1.4
283.10904	3.4
285.08926	3.0
287.10254	1.8
287.14056	1.6
299.10345	12.4
301.11938	100.0
302.12292	7.5
308.17706	3.5
315.09900	2.9
317.11398	1.8
318.12088	1.7
319.12985	73.1
320.13321	4.0
323.80966	1.3
333.14844	2.3
336.20798	1.3
341.27222	1.8
345.10684	1.6
362.18768	25.9
363.18979	3.5
380.19846	4.2
392.19870	2.0
394.21268	3.4
406.17749	11.6
424.18393	1.5
436.18738	2.9
438.20377	33.8
439.20352	3.9
456.21402	58.9
457.22067	8.2
468.21588	7.0
469.21384	2.1
482.19269	14.2
483.19788	2.1
486.22546	15.4
487.22766	2.4
619.27747	97.8
620.28076	16.3
649.28766	33.7
649.38672	3.1
650.29462	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	649.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09355	1.7
59.01368	4.6
60.40414	1.4
61.98822	3.4
65.45463	1.9
71.01353	1.8
71.41807	2.9
72.99355	2.0
75.00871	18.6
82.02979	4.8
83.04964	1.7
85.02951	1.7
93.03421	1.6
96.04519	2.1
108.04543	3.3
109.02960	2.0
110.06127	5.6
112.04032	2.5
117.03498	3.3
119.04999	6.9
120.04581	2.6
121.06551	2.1
122.06158	2.4
124.07651	1.9
129.05582	4.2
134.06123	4.2
135.04506	5.0
136.07718	8.2
138.05595	7.8
138.40053	1.7
145.02974	26.8
146.03337	1.7
147.03256	3.0
147.04440	2.0
148.04054	32.1
149.04700	2.7
150.05615	27.4
152.07161	4.1
154.05048	3.8
157.06624	1.6
159.08150	1.9
160.02908	1.9
160.03992	9.8
161.02440	4.4
161.04843	37.0
162.05518	6.2
163.04004	5.2
164.03520	3.2
168.06682	2.0
172.05334	2.5
173.03555	7.6
173.06049	6.3
174.04303	11.1
174.05627	6.3
175.05125	23.8
176.05795	3.3
178.05124	1.8
186.05524	2.2
187.06369	2.5
188.07060	2.2
189.06746	8.8
190.07443	7.7
191.08212	6.4
199.07626	2.9
200.07135	6.0
201.07669	3.6
201.09424	9.1
202.08833	13.2
203.04497	3.8
203.07278	2.2
215.08241	2.0
216.06651	3.4
221.04506	8.2
226.08702	4.6
228.06573	3.8
229.07430	5.3
231.07712	7.7
232.08417	9.9
233.09256	17.1
241.09706	2.2
242.08237	9.4
243.08868	8.6
243.11234	3.1
244.09816	72.5
245.09435	7.6
256.09680	2.7
274.11292	2.2
286.09512	3.2
287.10373	5.0
288.08820	3.1
305.11569	12.5
338.11450	4.5
351.16864	2.8
379.16452	5.3
386.17398	1.8
397.17572	2.1
401.14130	1.7
404.08450	1.7
414.16443	6.6
420.69150	1.8
422.17767	2.0
425.17206	100.0
426.17459	20.8
450.16272	4.0
468.17813	19.2
469.16757	4.9
486.18829	52.8
487.19296	4.3
519.18854	4.7
529.07507	1.9
530.43109	1.8
550.09528	1.6
631.23950	8.9
649.25092	59.1
650.26044	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	649.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40210	2.0
55.24354	2.0
59.01382	24.5
61.01461	2.3
69.55528	14.1
71.01392	11.7
72.99305	2.6
73.02954	6.5
75.00875	6.5
82.02994	8.3
83.01373	2.1
85.02965	8.3
87.00892	3.3
89.02460	3.4
96.96014	3.1
99.00877	2.7
101.02449	13.8
113.02470	6.4
119.05098	2.4
120.04571	5.0
122.06193	4.2
145.02989	4.9
148.04053	23.5
149.04825	10.4
150.05634	33.3
150.09241	9.4
160.04042	7.2
161.04779	11.0
162.05528	3.5
163.02789	3.8
164.03571	13.6
173.03534	9.6
173.04793	4.6
174.04347	29.4
175.02774	6.2
175.05063	5.6
175.07556	2.3
186.05591	5.3
189.06682	8.6
190.07497	33.0
191.08249	5.0
194.04568	18.5
199.07668	6.1
200.07043	10.5
201.07935	17.8
202.08691	9.0
214.11034	3.1
215.08380	4.0
218.12396	2.6
224.07179	2.9
228.06660	11.1
231.07780	17.2
232.08545	38.1
233.09196	5.5
242.08307	13.9
243.07286	3.0
243.08992	10.3
244.08586	18.1
245.06915	7.6
245.09224	6.0
246.07700	5.0
258.06299	2.5
262.09677	2.7
285.08817	6.6
286.06921	5.0
286.09613	10.1
287.07825	5.6
287.10559	3.8
288.08603	3.9
299.14017	15.1
303.09659	2.4
304.10696	4.8
324.13586	8.1
325.11972	7.1
353.15240	3.7
382.17688	31.0
383.17932	2.8
393.18362	8.0
394.17764	9.4
395.16245	8.1
401.21375	16.0
408.15390	5.2
412.18372	2.6
418.17813	5.0
425.17206	4.0
436.18741	43.5
437.17178	69.0
438.17462	7.0
443.22864	38.3
454.19907	100.0
455.20023	15.7
480.17850	10.2
486.18716	2.7
499.15836	9.6
501.18115	4.3
512.20490	2.3
577.23022	3.4
588.69702	2.5
631.23773	6.7
641.89447	2.9
649.25092	39.7
649.35101	4.0
650.25922	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	649.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79110	0.9
55.17480	1.1
59.01384	7.7
61.98829	4.3
71.01383	3.8
71.62144	1.4
75.00884	2.3
83.01399	1.9
89.02442	1.7
93.03461	22.3
96.96014	1.8
101.02480	2.2
110.68887	1.2
117.03501	1.1
118.99864	2.7
119.05012	9.8
119.46708	1.0
121.02921	1.1
121.06579	1.2
131.05025	6.6
133.06641	5.6
145.02982	5.8
147.04523	15.1
147.35014	1.0
149.06104	6.0
152.01988	1.0
158.03708	1.5
159.04532	6.9
161.02495	1.5
163.04074	1.5
175.04019	4.3
175.59683	1.0
177.05571	100.0
178.05923	4.1
200.82738	0.9
221.04486	1.4
237.09174	1.0
241.09746	1.3
263.86340	1.0
265.03458	6.9
380.05301	1.0
387.30157	1.1
407.21121	1.0
412.55203	1.3
436.18808	2.5
494.50021	1.1
496.02087	1.2
570.80231	1.1
607.50037	1.2
649.40472	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	649.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	11.7
61.98824	8.0
69.64231	8.7
71.01393	4.9
73.02970	1.6
75.00878	5.1
85.02970	3.3
85.61934	1.4
89.02425	2.3
93.03458	21.3
101.02467	2.0
113.02465	1.9
118.99854	3.0
119.05036	6.5
121.02979	1.8
129.79747	1.5
131.05057	8.2
133.06581	6.5
136.81999	1.7
145.02953	5.1
147.04526	15.9
149.06050	4.5
159.04532	5.1
163.03958	2.5
175.03947	3.7
177.05577	100.0
178.05910	4.2
181.05627	1.4
221.04732	1.3
239.98587	1.4
243.60040	1.3
265.03491	6.4
280.73523	1.6
515.21344	1.5
524.23022	1.4
545.36774	1.8
578.67896	1.5
645.74158	1.5
649.38910	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	0.7
59.01376	2.4
61.98817	0.8
67.74221	0.7
69.90533	3.5
71.01382	16.3
73.02943	1.4
75.00877	13.5
76.19712	0.8
78.06940	0.7
85.02951	4.3
89.02454	0.8
93.03458	3.2
96.96004	2.5
108.02184	2.1
109.02962	8.4
117.03472	1.3
119.05048	3.7
121.02957	2.9
122.03720	1.6
123.04509	2.4
129.01968	8.5
133.06537	0.8
135.04536	2.5
145.02946	3.0
147.04503	1.9
161.02457	2.3
163.04070	1.1
163.05923	0.7
171.04552	2.0
175.04007	2.5
177.05565	0.8
185.06157	1.9
191.07118	1.2
197.06070	1.2
199.07674	1.5
209.06055	1.5
210.06833	2.4
211.07646	3.2
221.06239	1.5
222.06822	1.0
225.05634	2.9
226.06366	100.0
227.07117	59.8
228.07401	4.2
229.08841	0.8
237.09259	0.7
238.06404	1.0
239.07144	6.9
253.08705	2.5
255.10266	20.1
256.10593	1.6
281.08209	5.8
299.09216	4.2
313.10831	13.9
357.09772	10.3
358.10349	0.8
389.12537	0.9
431.13486	78.9
432.13788	9.8
475.16211	1.7
485.14624	5.6
503.15823	4.8
505.32388	0.8
517.17151	4.2
561.16229	15.5
562.16730	1.7
567.25452	0.8
574.43152	0.8
576.64410	0.8
591.20215	1.2
620.73730	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11242	0.6
57.03445	0.8
59.01376	1.7
62.65796	0.5
69.54565	3.2
71.01386	12.2
73.02950	0.7
75.00879	11.8
85.02959	4.5
93.03445	3.6
96.96019	1.8
98.20665	0.7
101.02460	0.7
108.02180	2.6
109.02969	9.1
117.03491	0.9
119.05050	4.0
121.03014	3.0
122.03732	1.7
123.04529	2.7
129.01945	8.4
133.03011	1.0
135.04530	2.4
135.59546	0.5
141.13995	0.6
145.03012	1.4
147.04524	2.6
151.03999	1.8
161.02454	1.6
163.03995	1.4
171.04497	1.3
175.04021	2.6
179.03401	0.6
185.06075	1.9
193.05060	2.3
197.06088	1.4
199.07660	1.7
209.05931	1.0
210.06825	2.5
211.07692	0.9
221.06064	2.1
222.06865	0.8
225.05591	2.9
226.06367	100.0
227.07133	60.0
227.09596	0.8
228.07574	4.9
229.08638	1.7
237.04037	0.8
237.09180	1.1
238.06372	1.0
239.07166	7.1
240.07452	0.7
253.08752	2.6
255.10272	19.9
256.10565	1.9
281.08176	7.1
281.56583	0.6
282.08624	0.9
295.09616	0.8
299.09332	3.1
313.10825	18.9
314.11084	1.6
318.84509	0.6
357.09827	9.9
358.09711	0.8
389.12247	0.8
431.13470	75.3
432.13873	8.6
442.19711	0.7
454.68054	0.6
471.10205	0.6
475.16153	2.2
485.14801	4.2
503.15326	3.4
517.17139	4.9
519.15161	0.8
561.16010	10.4
562.16388	2.0
605.14990	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13391	0.6
56.60656	0.6
59.01402	0.8
69.59905	4.1
71.01372	1.4
75.00880	1.5
80.65809	0.6
83.01388	1.7
86.90839	0.6
93.03467	22.8
98.19923	0.6
107.05022	1.5
111.67703	0.6
117.03471	0.7
118.99837	3.2
119.05045	10.2
120.49506	0.6
121.02956	1.1
121.06611	1.0
130.04312	1.0
131.05057	7.8
133.06602	9.3
135.04526	2.6
145.02986	5.6
146.48703	0.7
147.04530	15.8
148.04880	0.8
149.06091	6.5
153.39296	0.6
158.03745	1.8
159.04515	5.5
163.03983	1.7
175.04033	2.1
177.05580	100.0
178.05914	5.1
221.04602	1.0
226.06427	0.9
236.44241	0.6
265.03552	7.9
266.03925	0.8
279.08737	7.6
280.09119	1.0
339.10931	2.1
431.13620	0.8
604.54590	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28040	0.3
54.00870	0.3
71.01400	0.6
72.99320	0.9
75.00891	1.2
93.03488	0.4
108.02180	1.2
109.02962	100.0
110.03323	2.5
116.05076	1.3
118.99878	3.7
126.61884	0.3
133.02934	0.8
135.04518	1.2
145.02957	0.4
147.04570	0.6
149.06073	2.9
159.03311	0.3
160.04053	64.6
161.02463	6.1
161.04387	2.7
171.56581	0.4
175.04079	0.3
177.05591	1.3
179.03476	0.9
180.04234	0.3
191.03523	4.0
192.04219	0.7
193.05064	10.0
194.05412	0.4
204.03050	3.0
237.04050	2.4
238.04597	0.3
247.78816	0.3
281.03082	5.1
351.40842	0.3
366.08301	34.9
367.08752	2.0
449.78705	0.4
458.04077	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	3.8
59.01375	3.4
61.98807	1.0
81.03439	1.2
83.01392	7.4
83.74143	0.7
98.19868	2.2
123.04513	1.7
125.02462	9.4
157.44237	0.7
167.14401	12.6
167.83224	0.8
168.14792	0.9
191.14444	6.4
207.17511	1.8
209.15462	14.5
211.13342	2.1
223.16827	1.1
227.16527	9.8
228.16821	0.9
229.14575	1.5
231.17419	1.7
233.15495	12.1
237.14998	1.3
249.18588	1.0
251.16525	22.7
252.16902	0.9
265.18195	1.2
275.16443	3.1
277.14426	4.7
293.17493	3.2
295.15564	5.8
297.58261	0.7
302.76584	0.8
309.16974	0.9
322.58774	0.7
351.17682	1.9
356.72076	0.9
369.19101	4.3
381.31323	0.9
401.30466	1.0
443.32108	1.1
445.29514	1.5
536.88190	0.8
561.35486	0.8
563.32178	1.4
603.35461	8.0
604.35669	1.3
647.34351	100.0
648.34760	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	647.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96420	0.6
52.41044	0.7
52.49565	0.6
52.68777	0.7
55.01871	2.0
57.03437	1.1
58.00586	2.5
59.01385	43.9
59.68776	0.7
61.44728	0.7
61.98822	2.7
68.99838	0.8
69.03459	2.7
71.01386	43.7
71.17100	0.9
71.17419	0.9
72.99318	3.7
73.02949	7.8
75.00884	1.4
80.25076	0.7
81.03455	2.2
83.01402	5.8
85.02492	1.1
85.02958	9.3
87.00885	10.2
89.02448	38.0
91.04015	1.0
93.03474	0.8
95.01366	3.6
96.96008	1.3
97.02950	7.0
99.00887	2.5
101.02452	37.9
111.00924	1.0
111.04530	1.0
113.01685	1.5
113.02453	21.2
115.04004	0.9
117.90233	0.7
119.03503	12.7
120.59654	0.6
121.02959	0.9
123.00905	0.9
123.04472	0.8
125.02451	15.5
131.03490	2.1
133.05069	1.2
141.01987	0.8
143.03500	8.3
149.04565	0.8
161.04559	9.4
167.03552	0.9
169.05078	0.8
179.05605	8.3
180.06050	0.7
185.04555	0.9
203.05440	0.8
213.74988	0.6
217.07144	1.4
221.06624	2.5
231.17433	1.3
235.08232	15.4
236.08687	0.8
245.06789	0.9
249.18594	100.0
250.18930	7.7
253.09312	5.2
263.07666	1.6
287.07629	3.7
305.08673	4.1
323.09811	2.8
341.50183	0.8
371.75226	0.7
379.12451	1.2
397.13507	91.6
398.13837	6.4
415.14587	37.2
416.14996	2.1
447.13196	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.365
Annotation	Abrusoside A
Peak:m/z	Relative Intensity
51.16312	1.3
52.40801	1.3
54.81503	1.6
59.01387	1.7
61.42575	1.2
61.98823	2.0
62.76293	1.3
71.61709	2.2
75.00851	1.6
78.95898	4.2
81.03445	1.6
83.01395	2.0
85.16199	1.2
118.25434	1.3
119.51623	1.3
125.02526	2.0
147.46516	1.3
167.14476	3.1
186.86671	2.7
191.14381	4.3
207.17542	10.4
231.17577	4.8
233.15393	6.8
249.18709	2.2
251.16501	2.5
273.18634	1.8
275.16483	10.3
319.15457	2.9
399.32205	2.9
421.34445	2.0
423.32620	3.7
441.33737	6.0
459.34674	3.6
465.33777	6.0
467.31378	2.1
483.34863	4.8
509.32437	1.6
527.33594	2.7
530.16406	1.7
538.84247	1.6
572.16071	3.5
573.16791	2.2
574.16449	1.8
601.37427	10.6
645.36432	100.0
646.36572	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	647.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.4
59.01095	2.2
59.01386	35.1
61.98835	13.0
69.49370	3.9
69.49793	3.9
71.01385	19.1
72.99337	1.2
73.02952	16.4
75.00867	1.9
78.95877	1.2
79.92394	1.0
79.95720	1.0
83.01396	7.1
85.02968	5.3
87.00883	3.2
88.98808	1.9
89.02455	5.4
95.01424	1.1
96.96017	1.9
98.19888	1.6
99.00861	1.7
101.02450	22.9
103.04046	1.9
113.02468	5.1
119.03512	3.0
125.02474	2.0
128.03598	1.4
131.03497	4.7
136.07767	1.4
143.03491	4.0
145.05070	1.6
161.04562	2.5
163.06131	5.6
205.07178	3.8
247.04765	1.4
253.18105	100.0
254.18402	7.5
267.19748	5.5
295.19150	6.0
299.25330	1.2
337.20398	1.5
383.24454	3.8
441.24951	2.1
509.23593	3.5
558.12451	1.4
603.37921	1.1
604.33533	2.2
605.34869	1.8
647.36768	11.0
648.37091	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30083	1.7
59.01382	100.0
60.01699	2.1
61.98826	6.4
71.01384	25.4
72.99314	2.7
73.02960	6.2
75.00889	2.5
83.01392	9.9
85.02969	9.7
87.00869	4.8
89.02456	19.6
91.04007	5.5
94.24667	1.6
95.01375	3.8
97.02998	2.0
98.19857	5.1
101.02451	24.0
113.02454	19.0
119.03532	3.1
125.02478	3.8
143.03513	4.9
143.07150	2.5
161.04573	7.4
179.05634	2.3
211.13161	1.7
211.65562	1.7
223.13393	3.3
235.08235	7.8
253.09291	27.9
254.09540	2.3
541.33820	23.7
542.34344	3.8
559.34814	57.9
560.35254	9.0
645.33472	3.3
646.35083	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58712	2.6
53.65862	2.5
59.01381	100.0
61.98840	15.5
69.17699	2.7
71.01386	43.7
71.61470	3.4
72.99306	7.1
73.02946	45.1
75.00871	7.0
83.01381	12.3
85.02957	18.9
85.85902	3.0
86.32062	3.0
87.00885	12.8
87.04519	3.2
88.98806	4.4
89.02453	16.6
96.96011	7.4
97.02955	3.4
101.02450	50.3
103.04000	8.7
106.48799	2.6
109.02950	5.9
113.02444	13.4
115.03995	3.8
119.03556	6.0
122.20148	2.9
124.90851	2.8
127.78682	3.3
131.03508	9.9
136.90295	3.1
139.04073	2.9
143.03473	10.3
145.02943	4.3
145.04945	5.7
151.07562	3.6
161.04613	5.0
163.06160	35.9
174.83249	3.5
205.07191	14.4
207.17468	8.8
247.08292	14.9
251.16557	29.0
281.02161	3.0
293.17694	4.3
318.33389	3.2
397.01489	3.4
400.22870	3.1
423.25186	6.2
441.27881	4.5
541.34357	3.3
645.32892	40.4
646.33917	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	643.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33763	4.4
59.01387	100.0
61.98826	13.6
67.03114	5.1
71.01375	14.1
71.61150	4.9
72.28252	4.6
81.03508	5.0
89.02463	15.8
101.02438	15.9
113.02477	9.6
143.03448	5.8
151.66762	4.3
151.68127	5.0
174.43973	4.4
211.13242	5.2
225.52771	4.5
235.08276	18.4
250.82690	5.0
253.09288	56.2
295.10226	8.0
342.20920	4.8
358.91489	5.0
527.67743	6.2
541.34015	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.37
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33794	0.5
52.56922	0.5
59.01383	4.9
61.98851	1.5
69.41125	5.1
71.01379	3.2
73.02897	1.1
75.00869	1.4
78.98583	0.5
79.95766	1.4
80.96525	10.2
85.02962	1.7
87.00889	1.4
89.33855	0.7
94.98106	1.9
96.96016	0.8
97.06604	0.8
101.02461	1.7
111.04623	0.6
111.41392	0.5
113.02431	1.1
116.92881	1.0
121.06618	1.0
122.03751	2.5
125.02480	1.2
134.97598	1.0
135.04536	1.7
135.08208	1.1
136.05309	21.3
137.06096	0.6
145.02965	0.6
148.05357	1.5
148.99208	0.9
149.06096	8.2
150.06885	6.3
151.07695	1.7
152.98680	0.9
162.06905	1.0
163.06255	0.9
163.07651	1.0
164.08421	2.3
164.98650	1.7
165.09229	13.1
166.09557	0.6
225.00735	3.5
269.21280	0.7
271.19412	0.8
313.23938	2.2
315.21719	8.4
316.22113	0.6
336.74722	0.6
381.18167	0.9
394.71777	0.6
417.30283	1.3
418.31085	0.7
420.28918	2.4
434.30682	1.6
435.31055	6.3
445.30200	0.8
462.30057	1.0
463.25241	0.6
463.30838	4.4
464.30850	0.6
480.30942	7.3
481.31665	34.1
482.32053	5.1
569.45856	0.7
617.90454	0.6
643.36981	100.0
644.37286	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	643.37
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.1
61.98788	0.5
70.42674	0.5
71.01382	2.0
74.13808	0.6
75.00882	1.0
79.95763	0.7
80.96510	2.7
87.00887	1.5
96.95988	0.6
97.06604	0.8
100.63580	0.7
122.03757	3.1
136.05237	0.9
143.10739	0.9
148.05356	0.9
149.06102	2.3
150.06865	20.1
151.07663	2.9
163.07643	8.9
164.08430	2.7
169.12315	1.1
177.09227	1.4
178.09937	1.1
179.10751	8.0
222.16747	0.6
237.18600	0.7
253.21802	0.7
257.17572	0.8
266.15787	0.6
299.22229	3.9
301.20175	5.4
302.53635	0.6
314.34634	0.6
329.23383	0.8
345.21524	0.7
420.28958	2.4
427.28479	0.9
434.30322	1.4
435.31131	3.6
462.29849	1.9
463.30695	2.8
480.30942	14.3
481.31668	27.2
482.32028	2.4
643.37000	100.0
644.37286	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	643.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.32552	3.5
61.98825	4.2
69.56475	10.4
69.56896	17.2
71.01385	25.5
73.02946	4.5
83.01392	8.0
83.05029	3.3
83.90049	3.7
84.56554	3.8
85.02948	11.5
87.00864	3.6
89.02434	19.5
98.20691	6.7
101.02455	26.4
103.48520	3.4
113.02473	13.0
137.63863	3.5
139.04010	4.9
161.04541	8.3
162.81993	3.4
164.70401	3.8
181.26530	3.6
184.23499	3.7
197.11836	42.2
199.13310	5.0
201.11337	6.7
208.96609	3.4
209.11795	27.8
221.15511	3.8
223.13361	8.6
227.12851	12.2
233.09001	3.5
253.09381	19.0
332.19373	6.8
340.38861	4.2
350.00821	4.6
425.23581	4.9
539.31885	4.2
557.33246	48.7
558.33978	8.5
643.30896	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36417	0.5
54.76118	0.4
59.01376	2.3
61.98808	1.4
61.99143	0.5
69.03445	0.6
71.01389	1.4
75.00881	1.5
75.64603	0.4
79.91534	0.6
80.96523	1.6
87.00876	1.0
89.02426	0.8
90.04316	0.4
98.20657	0.8
101.02453	0.7
104.00135	0.6
107.05054	0.9
113.02450	0.9
122.03763	9.2
123.04539	0.8
123.08213	0.9
135.04559	3.0
136.05309	13.4
137.06094	0.5
137.09758	0.5
148.05321	1.1
149.06081	7.6
150.06868	13.7
151.07674	10.8
162.06837	1.0
163.07591	2.5
164.08438	2.7
165.09210	7.0
178.09901	0.7
179.10805	2.9
217.56126	0.5
229.22812	0.6
251.20206	1.0
257.17783	0.7
299.22327	4.7
301.20197	2.2
311.22556	0.8
313.23749	0.9
315.21796	4.5
316.22052	0.7
402.27649	0.7
417.29944	0.7
419.31708	1.1
420.28802	2.8
421.29639	0.6
433.29770	1.3
434.30328	1.2
435.31244	4.7
436.31580	0.6
451.30673	2.1
462.29816	0.9
463.30713	6.9
464.31277	0.6
480.30893	6.8
481.31735	25.6
482.31879	3.4
643.37054	100.0
644.37396	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	643.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48330	0.6
53.36788	0.6
56.41728	0.5
57.03470	0.7
58.36784	0.6
59.01380	18.4
61.98844	3.6
69.03477	0.9
71.01386	6.8
72.99294	1.0
73.02953	2.2
75.00881	0.8
80.02686	0.9
81.03474	1.7
81.67622	0.7
83.01396	1.6
83.05021	4.8
85.02964	1.7
87.00889	0.9
89.02451	4.8
95.05051	1.3
96.96045	0.7
97.02966	0.7
97.06607	0.7
99.00880	0.6
101.02438	6.3
107.03304	0.7
113.02455	3.5
119.03498	1.4
125.02493	0.7
125.06155	0.7
125.09737	1.2
139.04044	2.3
143.03481	1.1
153.12897	1.4
161.04576	3.3
163.11302	2.9
165.12878	2.5
169.12370	6.1
169.94125	0.6
171.10335	0.9
179.10780	0.9
197.11829	97.2
198.12173	4.8
199.13428	1.1
201.11302	1.5
205.12509	0.8
208.01848	0.7
209.11829	100.0
210.12157	5.4
211.13396	1.2
223.13368	1.6
227.12871	17.9
229.24962	0.8
235.08276	3.9
235.13489	1.3
239.80983	0.7
253.09273	11.5
258.62015	0.8
331.19095	1.1
332.19510	3.3
433.20752	3.2
434.20898	0.8
445.20700	1.5
504.31369	0.6
539.32214	0.9
557.33307	6.7
558.33844	0.8
607.31702	0.8
643.31537	3.8
644.31995	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.1
59.01382	16.2
61.98842	1.1
65.03966	5.6
68.10147	1.1
71.01389	8.7
71.61925	1.0
73.02943	1.8
75.00863	1.6
78.95928	1.3
85.02944	2.7
87.00876	2.1
88.18919	0.9
89.02445	4.2
91.05540	7.1
95.41324	1.0
101.02451	8.0
105.07121	1.5
107.05088	1.3
109.06593	2.1
113.02435	3.0
115.05507	1.7
117.07108	3.3
119.03498	1.5
123.08099	1.4
125.09737	9.5
129.07079	1.9
131.05060	1.1
133.06589	2.0
141.07112	2.5
145.02948	1.7
153.07130	1.9
159.08136	3.8
161.04543	1.6
187.09813	2.0
197.11722	1.3
211.13327	14.0
211.15038	3.6
212.13741	9.6
213.13924	3.9
235.13390	2.8
237.12918	7.1
244.24028	1.1
253.09344	1.5
255.13876	1.8
261.14951	3.7
263.11182	1.1
344.33292	1.2
363.23480	1.7
389.21326	1.2
407.22290	3.6
425.23248	2.1
437.32980	1.6
463.61948	1.3
629.01703	1.2
643.31256	100.0
644.31628	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	643.188
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	2.8
59.01380	100.0
61.98840	2.8
69.03428	3.3
69.29045	11.7
69.29480	13.3
71.01389	33.4
72.99303	5.4
73.02947	37.6
75.00887	11.3
83.01378	6.8
85.02966	16.5
86.00099	4.5
87.00869	13.7
87.04537	3.6
89.02443	22.3
93.03464	6.1
96.96033	3.4
101.02447	47.1
101.23769	2.7
103.04012	20.4
113.02437	5.9
115.04004	8.9
117.03483	19.6
119.03516	9.2
125.02472	4.4
131.03508	11.4
143.03511	22.7
145.02959	5.0
145.05121	6.0
145.06561	5.1
148.05315	6.9
161.02449	4.4
163.06117	68.1
164.06454	3.3
177.05565	27.7
203.05049	2.4
205.07161	24.9
205.08839	7.1
247.08226	25.0
249.07680	80.0
250.07961	3.5
263.09406	4.4
265.09171	4.1
291.08835	16.1
437.14471	7.8
475.61313	2.6
497.45703	2.6
505.49692	3.3
522.36957	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	643.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.4
62.74155	1.0
63.02417	1.4
65.00327	2.5
70.63552	1.8
70.63923	1.7
72.04568	1.1
75.00883	17.3
83.01382	1.5
93.03476	1.6
96.96073	1.1
99.00898	0.9
99.85880	1.1
103.64121	1.0
107.01404	6.1
108.02168	1.3
109.02967	3.9
117.03440	1.1
118.99940	1.5
119.05038	1.1
121.02974	4.7
133.03029	2.0
135.04552	6.3
137.02490	1.2
145.02966	3.9
148.01675	1.7
148.05344	3.5
151.00391	23.5
159.04526	2.0
161.02452	4.1
163.00357	1.8
164.01140	1.6
169.01567	1.1
177.05423	1.3
178.99860	11.7
187.07518	1.1
191.03568	1.3
192.04208	1.5
193.22672	1.0
201.05484	1.1
203.03421	1.6
211.04012	1.4
221.04533	1.5
225.05666	1.5
226.06206	1.5
227.03560	1.8
229.04933	1.8
243.02960	9.0
244.03741	1.5
254.02255	1.2
255.02969	23.7
256.03360	2.9
271.02487	50.2
272.03009	3.1
273.04022	1.8
288.39999	1.1
299.01840	1.1
300.02774	100.0
301.03516	87.3
302.03979	5.9
313.03601	1.9
323.12982	2.5
337.66879	1.1
459.52997	1.1
463.08838	74.4
464.09274	9.0
481.07663	17.0
482.08044	1.3
579.02924	1.2
599.15778	1.2
611.24341	1.1
625.12012	25.3
626.12341	2.6
643.12616	9.5
643.21759	1.2
644.13458	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22370	0.6
59.01384	22.0
65.00324	0.9
69.62604	3.9
71.01395	2.6
75.00883	15.4
83.01394	1.4
85.02960	0.6
85.23969	0.6
89.02476	0.7
93.03461	1.4
98.19861	0.8
99.00895	1.7
101.02459	3.2
102.89346	0.8
107.01401	1.1
108.02170	1.0
109.02933	4.3
113.02428	1.0
116.69652	0.6
117.03484	0.9
119.05029	1.3
121.02992	1.6
133.02936	1.2
134.03766	0.9
135.04541	17.4
145.02954	3.7
147.04536	0.9
147.63660	0.6
151.00365	5.7
153.15182	0.6
159.04440	1.3
161.02437	3.0
161.04521	0.9
163.00430	1.2
172.05302	2.3
174.03261	0.8
175.03987	0.9
177.01888	3.7
177.05571	1.5
178.99893	2.3
183.04463	1.2
187.04057	1.2
187.07646	18.5
189.01848	1.2
189.05624	0.9
190.02689	1.0
199.03969	2.3
200.04713	1.5
201.05588	1.0
211.04115	1.4
211.07597	0.8
213.09174	2.2
215.07103	5.8
221.04538	1.0
226.02739	1.9
227.03517	4.1
228.04300	2.6
229.08656	1.8
231.06595	2.4
231.10272	2.4
235.11879	4.3
243.03029	5.9
245.04660	0.8
245.08141	0.7
251.31387	0.7
252.04221	0.8
254.02145	1.8
255.02972	6.6
256.03610	1.1
257.08215	13.7
269.04578	1.6
271.02481	26.8
272.02951	2.6
275.09329	0.8
277.12900	1.8
281.04550	1.7
283.02496	4.5
289.07162	4.1
289.10541	1.2
290.07346	0.9
297.03928	3.6
299.02060	0.8
300.02768	46.8
301.03482	17.4
302.03903	1.3
311.02118	1.1
316.02252	1.9
317.02893	0.7
326.04315	14.5
327.04962	5.9
333.09879	3.2
403.11734	1.0
421.13040	1.0
463.08859	100.0
464.09167	9.4
485.07605	1.0
489.10352	17.5
490.10794	1.5
637.34235	0.7
643.13031	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18730	0.5
54.56106	0.6
60.88166	0.6
71.01373	0.6
71.08257	0.6
72.99308	1.0
75.00894	1.3
83.01394	1.4
93.03463	19.2
96.95948	0.6
106.04221	0.9
107.04979	1.0
117.03461	0.8
118.99845	3.7
119.05031	9.0
120.05361	0.6
121.02985	0.8
121.06577	1.3
130.04259	1.8
131.05034	8.3
133.05614	1.1
133.06587	6.9
135.04544	2.5
145.02922	4.4
147.04526	15.8
148.04889	1.1
149.06100	5.3
158.03780	1.9
159.04523	6.2
163.04021	1.3
171.67743	0.6
175.04059	2.8
177.05579	100.0
178.05908	5.2
187.07655	0.8
217.50406	0.6
229.10587	0.7
257.08157	0.9
265.03531	7.3
266.03796	0.7
266.07660	0.7
377.09830	1.1
652.38934	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99080	0.2
59.01392	0.6
61.98834	100.0
69.59582	1.3
71.01397	0.2
72.99326	0.2
73.02953	0.2
75.00874	3.8
85.48106	0.2
96.96043	0.4
101.02468	0.2
103.12872	0.2
109.01317	0.2
109.02972	0.8
114.05607	0.3
117.03520	0.6
118.99864	0.4
119.05023	0.3
119.30715	0.2
121.03017	0.2
125.02478	0.2
129.02055	0.2
133.01404	0.2
135.04518	0.4
139.04008	0.3
145.02934	1.4
147.04535	0.3
148.05345	0.7
151.00449	0.2
159.66692	0.2
161.02461	0.7
163.03983	0.4
165.28247	0.2
167.06172	0.3
191.03468	0.2
197.06071	0.3
202.99911	0.6
203.03371	0.3
215.08253	0.3
216.00642	0.2
221.04463	0.3
225.05528	1.4
226.06367	1.2
236.08311	0.4
238.06425	0.2
257.08395	0.2
267.02658	0.2
267.06543	0.3
271.02740	0.3
279.03412	0.3
279.06650	0.4
294.01212	0.2
297.03995	0.3
300.02728	0.3
302.04193	0.2
307.02551	0.5
308.02847	0.4
323.12946	1.6
325.03781	0.2
353.03149	0.6
354.03424	0.5
371.51480	0.2
384.04855	0.4
385.05392	1.2
386.06192	0.9
403.12122	0.2
523.11627	0.3
531.11731	0.8
532.11719	2.6
533.12335	0.4
552.17792	0.3
582.18872	0.8
642.15906	1.3
642.27936	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65461	0.5
57.03443	1.3
59.01379	15.8
61.98831	100.0
69.62799	3.7
71.01373	4.3
73.02939	3.5
75.00862	0.6
81.03452	5.3
83.01394	2.6
83.05037	1.8
85.02973	1.3
87.00870	1.2
89.02454	1.8
89.49541	0.5
95.05054	0.9
96.96035	0.8
101.02448	5.1
104.13514	0.5
113.02470	2.2
119.03532	0.7
125.02453	13.5
126.02832	3.4
133.43570	0.5
139.04056	1.0
143.03467	0.9
149.04504	0.6
149.09727	0.7
161.04506	0.6
163.11302	1.7
167.03850	0.5
169.12334	2.1
171.10281	0.8
175.03915	0.9
197.11838	24.9
199.04071	0.9
199.13347	0.7
201.11281	1.0
203.05556	1.2
209.11827	40.4
211.13397	1.4
217.04979	1.0
223.13278	1.9
224.13841	0.7
227.12906	6.3
235.08234	1.1
241.05061	1.4
241.15976	5.4
242.05257	0.9
242.16330	1.0
253.09279	4.8
257.19125	5.4
258.19406	0.6
269.19083	2.9
271.16956	0.7
283.20547	0.7
285.03983	0.8
286.04434	0.8
287.20209	1.1
297.17725	0.6
309.18570	3.7
311.19974	1.3
327.19641	8.2
331.19135	88.2
332.19446	9.3
355.19101	3.3
373.20236	4.9
374.20541	0.7
428.76715	0.6
433.20706	0.9
445.20874	1.3
475.23193	1.6
481.29977	0.7
516.23541	1.0
517.42889	0.7
535.25562	4.4
536.25720	0.8
542.36493	0.6
557.32684	1.4
641.38678	0.7
642.35193	0.7
643.31622	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31138	0.6
53.73618	0.5
57.03440	0.8
59.01385	9.1
61.98838	3.6
69.03442	0.6
70.94278	0.9
70.94604	0.9
71.01382	2.9
72.99301	0.9
73.02943	2.7
74.02483	0.6
75.00879	1.1
80.96506	1.5
83.01332	0.6
83.07286	0.6
84.09210	0.5
85.02948	2.2
87.00872	2.1
89.02460	1.0
96.96015	1.4
97.02980	0.7
97.06597	1.0
100.50735	0.7
101.02444	2.6
103.04028	1.1
113.02430	1.1
115.04025	0.8
115.92058	0.8
116.92870	1.2
121.06635	1.2
122.03746	8.7
123.04504	0.9
125.09718	0.7
134.03760	1.9
135.04515	2.6
136.04301	1.3
136.05315	19.1
137.05684	0.9
143.03551	1.0
145.02966	0.8
148.05298	0.9
149.06096	6.9
149.09676	0.7
150.06906	5.8
151.07664	14.2
163.06133	2.9
163.07518	1.4
164.08397	2.1
165.09215	9.3
171.10274	1.8
171.40117	0.6
179.10797	0.7
193.05103	3.2
199.09712	0.8
203.14319	0.9
205.07217	1.4
209.11769	0.6
215.61461	0.6
222.24348	0.6
247.08011	1.1
249.18367	1.1
269.17413	1.2
274.98587	0.6
310.22415	0.6
311.22125	1.5
313.20215	6.0
327.21707	7.2
382.48187	0.6
415.28555	3.2
416.29086	1.2
418.27277	0.9
432.28720	1.1
433.29456	2.0
460.27921	0.7
461.28888	4.6
478.29230	4.6
479.30057	32.6
480.30457	3.6
483.16843	0.6
521.31512	0.8
641.35425	100.0
642.35840	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	641.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00423	0.2
54.49701	0.2
57.03434	0.3
57.33648	0.2
57.88039	0.2
59.01385	2.8
61.18394	0.2
61.98844	0.4
69.03452	0.3
71.01398	1.7
73.02950	0.6
78.95898	0.3
83.01370	0.4
85.02950	0.3
87.00848	0.3
89.02457	1.3
95.01430	0.2
96.95983	0.4
101.02451	1.6
107.88026	0.2
113.01762	0.2
113.02448	1.2
119.03483	0.3
125.02440	0.3
151.00162	0.2
155.10855	0.2
161.04541	0.8
165.05588	0.3
165.12881	0.3
167.10794	0.4
167.14415	0.8
174.35168	0.2
179.05693	0.4
181.62639	0.2
183.13904	6.9
183.48988	0.2
184.14185	0.3
189.24977	0.2
193.12332	1.8
194.12512	0.2
211.13397	100.0
212.13733	5.4
235.08319	1.4
239.36179	0.2
253.09303	4.5
387.25787	0.5
390.22375	0.3
405.26331	0.3
429.21371	0.7
432.92953	0.2
447.22314	5.1
448.22635	0.4
539.32196	0.3
579.01343	0.2
623.34253	0.6
641.37793	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
59.19483	0.3
61.98832	100.0
70.32292	0.3
71.07111	0.3
71.07452	0.5
90.38618	0.3
91.04050	0.3
104.04031	0.3
167.07440	0.3
266.87222	0.3
332.53259	0.3
343.25650	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63264	1.3
56.11504	1.3
56.46454	1.3
57.03454	1.8
59.01390	10.2
61.98840	4.3
64.03380	1.3
69.18774	1.7
69.77024	8.6
71.01373	3.3
73.23570	1.3
75.00885	1.9
81.03444	2.2
82.71391	1.5
83.01399	6.4
89.02460	1.7
93.03472	23.9
93.04012	3.1
95.89839	1.4
101.02460	2.4
107.13680	1.5
118.95731	1.3
118.99877	5.9
119.00740	1.2
119.05017	8.9
123.04544	2.0
125.02440	5.3
131.05106	7.1
131.05888	1.4
133.06606	7.6
145.02950	8.4
147.04538	17.6
149.06096	5.7
158.03731	1.6
159.04539	5.6
165.05565	1.9
175.04025	1.8
177.05586	74.4
178.05942	3.1
179.66180	1.8
181.15990	2.4
183.13824	2.4
183.94862	1.4
192.42700	1.5
205.15974	4.4
211.13426	42.5
221.11810	2.3
221.19112	6.7
223.13402	2.7
239.12932	3.6
245.19147	16.5
247.17073	3.6
253.09282	4.7
265.03519	4.9
287.20245	11.2
289.18076	6.5
307.19229	1.9
331.19202	17.7
332.19601	2.0
333.17096	2.6
375.18158	100.0
376.18451	8.5
398.45575	1.5
447.22339	1.9
539.32739	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	45.2
61.98846	11.4
71.01386	30.4
72.99316	6.6
75.00889	5.6
78.95894	8.5
87.00885	11.9
89.02457	52.3
101.02457	21.6
113.02451	16.5
116.92870	8.5
119.03487	20.1
135.04507	18.8
143.03493	7.2
152.26755	5.3
161.04611	6.3
171.10263	48.0
179.05589	20.8
194.93799	5.9
249.18581	23.2
255.23300	100.0
256.23560	9.7
269.24817	6.3
323.09808	25.8
341.10892	39.3
343.00897	5.8
362.11041	5.4
451.75201	6.4
555.28491	12.0
579.33893	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	639.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.9
57.03437	1.8
58.00586	1.7
59.01383	35.9
61.98839	1.0
69.03464	2.5
71.01386	34.2
71.60563	0.8
72.99298	3.3
73.02952	5.9
75.00888	1.1
76.21558	0.6
81.03484	1.5
83.01396	5.3
85.02953	8.1
87.00877	9.1
89.02448	34.1
95.01385	2.0
97.02971	5.7
98.20301	0.9
99.00889	1.8
101.02451	29.3
105.67348	0.6
109.02975	0.8
111.04489	1.3
113.02449	15.8
115.04039	1.1
119.03510	9.3
121.02965	0.9
123.80125	0.5
124.01687	0.7
125.02451	12.4
131.03514	1.0
139.04039	0.9
143.03488	5.7
149.04510	1.4
161.04575	8.1
167.03525	1.0
171.10326	3.1
179.05614	7.1
180.05934	0.7
185.04538	0.8
193.15982	1.4
209.15410	0.9
211.17050	1.5
217.07187	1.7
217.15900	0.8
221.06714	2.3
223.16879	0.6
227.16573	1.9
235.08228	17.0
236.08514	0.6
241.21732	100.0
242.22055	7.9
245.06735	0.6
249.18610	2.4
253.09241	3.5
263.07791	1.4
265.18140	0.8
273.17078	4.1
277.09369	0.9
287.05093	0.8
287.07724	4.3
289.73740	0.7
297.17087	0.7
305.08859	4.0
323.09839	2.1
372.07803	0.6
397.13504	93.8
398.13962	6.5
415.14581	34.8
416.14697	3.0
447.31155	2.3
538.48169	0.8
639.37518	11.6
640.38251	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	639.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.5
59.01383	3.7
60.94868	0.3
68.89358	0.3
69.03455	2.4
70.66257	0.6
71.01389	2.5
71.05059	0.4
72.99335	0.3
73.02930	0.8
75.00900	0.4
83.05035	0.7
85.02955	0.7
87.00909	0.5
89.02443	2.7
89.23491	0.3
98.20204	0.7
101.02445	2.8
113.02457	1.5
119.03519	1.0
130.21906	0.3
141.09238	0.4
145.05112	0.4
149.09756	0.5
153.09167	0.4
153.12871	1.0
156.92593	0.3
161.04526	1.8
167.10829	1.8
169.12357	5.9
177.12877	0.7
179.05618	0.4
179.10797	1.3
179.14388	2.1
181.28415	0.3
184.99835	0.3
195.13910	6.4
196.14207	0.7
197.11833	100.0
198.12184	5.0
205.10490	0.6
205.12341	7.3
206.12610	0.5
211.13454	0.8
223.13399	70.9
224.13757	3.4
235.08202	3.2
253.09305	8.1
268.96426	0.4
295.62915	0.4
305.65042	0.3
341.24808	0.6
359.22293	0.4
385.23672	1.2
403.24899	1.3
415.19925	0.4
433.20734	4.7
434.21057	0.4
441.20972	1.0
459.22391	6.7
460.22699	0.5
595.31207	0.5
621.32788	1.2
639.35620	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3059
Annotation	Chenabinol methyl ether
Peak:m/z	Relative Intensity
55.43247	0.6
59.01378	5.2
61.98836	5.8
69.33105	3.5
69.33524	2.4
71.84911	0.6
72.99301	1.2
73.02940	2.6
75.00884	3.4
75.46526	0.6
77.80244	0.6
78.98591	3.1
79.18847	0.6
79.95271	1.0
79.95744	25.1
80.96523	50.1
81.03460	1.0
82.18604	0.6
85.02943	3.1
87.00870	2.1
89.02467	1.3
89.07178	0.8
94.98092	11.3
96.96005	3.0
97.02980	1.3
99.00882	0.8
101.02477	3.5
106.98075	1.6
113.02444	1.1
116.92835	0.8
119.05002	1.6
122.97597	2.1
125.02432	2.5
134.97591	4.5
135.04529	0.7
136.99126	2.0
143.03503	0.7
145.02942	1.8
148.99162	4.0
152.98627	5.6
161.02466	0.9
161.04591	0.7
163.04034	0.8
163.06148	1.1
164.41159	0.7
164.98662	9.0
179.00241	1.2
206.99715	1.8
225.00761	13.6
243.01785	1.8
329.23334	1.4
330.23709	1.2
331.24100	2.1
391.23361	1.7
639.30566	100.0
640.30847	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	637.323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
57.03458	1.1
58.00579	0.5
59.01382	11.0
61.98829	0.9
65.03978	2.4
68.95210	0.4
69.03455	1.5
69.44743	1.6
69.45164	2.0
71.01388	9.0
72.70266	0.4
72.99299	1.1
73.02952	2.3
78.76250	0.5
79.05518	0.4
81.12096	0.4
83.01376	1.4
83.05009	1.3
83.76429	0.5
85.02938	3.3
87.00878	3.7
89.02451	4.1
91.05534	1.5
93.03438	1.1
95.01385	1.2
95.05022	0.8
97.06615	2.1
99.00884	0.5
101.02444	6.8
105.07111	0.8
107.05012	0.9
109.06546	1.4
113.02455	3.6
115.05547	2.7
117.07088	0.8
119.03456	0.7
119.05038	0.5
123.08157	1.6
125.09727	9.6
129.07114	0.6
133.10287	0.5
135.08136	1.6
145.05028	1.7
157.10165	0.7
161.04529	1.7
163.07649	0.6
163.11266	1.0
179.68243	0.5
185.10278	0.6
185.11838	4.2
187.09731	1.4
187.14943	4.4
191.10765	0.7
195.11700	0.6
201.12813	0.8
205.12311	1.0
207.10243	0.4
209.11824	10.2
211.13388	0.5
213.12842	5.5
215.10715	1.6
221.15485	0.6
231.13902	10.9
233.11754	1.7
235.08176	2.7
235.13412	1.1
237.14896	0.5
247.13330	0.9
249.14963	1.0
253.09253	0.8
273.14981	0.6
329.24808	1.1
331.18991	0.4
339.23203	2.0
355.22653	0.9
357.24393	1.2
365.21213	2.1
373.23962	2.2
383.22253	12.5
384.22470	0.9
391.01440	0.4
391.24976	1.3
401.23352	12.6
402.23654	1.3
419.24573	3.7
429.10049	0.6
431.31653	1.4
445.20505	0.5
482.06424	0.5
609.32507	1.0
614.75385	0.5
619.31213	100.0
620.31641	12.8
633.03027	0.5
637.32208	15.0
638.32556	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	637.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.3
56.99791	0.1
57.03454	1.0
57.66756	0.1
58.00608	0.2
59.01384	6.2
61.98831	0.2
65.03959	0.2
67.01888	0.3
69.03458	8.9
69.60563	0.9
71.01386	3.6
71.01758	0.2
71.05027	1.0
72.99319	0.2
73.02951	0.7
78.95927	0.1
79.30367	0.1
79.64106	0.1
81.03461	0.3
83.01403	0.6
83.05037	1.1
85.02958	1.1
85.06602	0.4
87.00883	0.8
89.02448	2.6
93.03466	0.9
95.01389	0.3
95.05039	0.9
97.02966	0.3
97.06591	0.8
98.20589	0.3
99.00882	0.3
101.02449	3.4
101.03079	0.3
104.36925	0.1
106.04291	0.2
107.08660	0.2
108.05827	0.2
109.06612	0.9
111.08106	0.1
113.02463	1.9
117.45860	0.1
118.65244	0.1
119.03465	0.7
119.05067	0.2
121.06595	0.9
123.08173	0.2
125.02466	0.2
125.06092	1.1
125.09719	0.4
129.02043	0.1
131.81172	0.1
133.05051	0.2
133.06610	0.2
133.10254	0.4
135.08179	0.2
135.11792	0.3
141.09229	0.3
143.03510	0.5
143.08687	0.1
145.05084	0.7
147.08174	0.3
149.09746	1.4
151.11302	4.2
152.11662	0.2
153.09232	0.3
159.08189	0.8
161.04617	1.4
161.05942	0.2
161.13396	0.5
167.10791	4.8
168.11183	0.2
177.09221	20.1
177.12781	0.5
178.09541	1.0
179.05641	0.7
179.10809	1.3
179.14415	3.7
180.14774	0.1
185.02505	0.1
187.11325	0.3
193.12244	0.1
195.10272	48.2
195.13895	10.4
196.10606	2.0
196.14218	0.5
205.12335	10.3
206.12633	0.5
223.13394	100.0
224.13713	5.1
235.08243	3.1
253.09299	10.1
254.09467	0.4
307.06235	0.2
313.21521	0.2
321.22308	0.2
331.18961	0.2
339.23404	0.3
347.19836	0.1
357.20563	0.4
365.21048	0.3
375.21417	0.2
383.22260	1.2
401.23254	1.2
413.18048	0.3
429.09839	0.3
431.19247	1.0
441.21167	0.9
459.22357	12.5
460.22647	1.3
471.40686	0.2
567.28003	0.4
593.29633	0.4
619.31287	1.0
637.32025	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19766	3.2
56.37449	3.7
57.03437	6.0
57.42538	3.4
58.00585	4.5
59.01388	100.0
61.98825	10.3
69.56973	18.4
71.01376	39.2
72.99311	5.5
73.02946	27.6
75.00880	12.4
81.61605	3.8
83.01408	6.8
85.02959	20.1
87.00878	9.0
87.04530	37.2
89.02448	31.0
96.96098	4.6
101.02459	44.6
103.03998	20.2
109.02969	4.7
113.02442	15.0
115.03999	7.5
119.03498	19.0
119.05014	6.6
121.02930	4.7
123.04507	16.0
123.08105	3.8
131.03491	9.3
138.09303	8.3
143.03517	17.9
145.02930	6.1
145.05008	5.0
148.04108	27.4
148.17372	4.0
150.05594	17.0
151.05983	3.7
153.09212	4.8
161.02505	5.8
161.04834	34.5
161.07214	4.1
162.05194	4.7
163.06142	78.7
173.02411	4.8
174.04309	7.0
174.05620	4.8
175.05151	36.1
176.05594	6.4
185.02501	7.5
188.07132	4.5
190.07492	7.4
191.08173	3.9
201.11392	7.4
202.08734	4.9
205.07210	25.4
215.08176	4.7
216.06650	5.2
232.08456	7.7
233.09334	19.6
239.16597	5.0
242.08192	5.3
244.09834	53.7
245.09920	17.8
247.08191	54.0
253.05022	4.3
255.02922	6.7
255.06525	5.2
269.17572	89.1
270.18152	4.3
271.02457	13.8
271.09753	5.8
276.80359	4.3
283.02472	8.8
287.10504	5.7
293.17581	40.3
305.11349	13.3
306.11786	6.3
307.06171	8.0
307.10269	5.7
311.18613	8.3
319.18762	4.7
323.18719	7.5
325.11383	5.3
328.02231	29.3
329.02933	14.2
337.20175	8.9
339.11557	5.2
340.12787	7.2
371.23996	6.4
379.16376	5.1
381.18127	18.0
387.08328	4.2
389.25342	13.9
397.21936	5.8
415.23523	9.3
424.18732	7.6
425.17728	6.1
429.09851	12.8
442.19925	20.1
446.06067	4.5
469.17841	7.3
470.19016	32.3
559.26141	6.2
593.31537	11.9
607.27631	12.3
637.14014	31.6
637.26068	12.4
638.14227	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	637.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23292	1.2
50.51889	1.1
51.44483	1.2
52.05011	1.0
52.29374	1.3
55.01849	1.2
57.03437	2.0
57.11637	1.1
59.01101	1.3
59.01384	23.2
61.98816	4.2
65.00326	1.6
71.01394	10.6
72.99294	2.1
73.02943	6.3
75.00887	6.1
80.50565	1.2
82.02969	3.6
83.01430	1.3
85.02970	3.4
87.00876	1.9
87.04516	7.1
89.02455	6.2
95.01369	1.4
96.95956	1.5
96.96535	1.3
101.02463	9.9
103.04025	4.1
109.02919	3.3
112.04028	1.9
113.02448	2.7
119.03484	4.7
119.04990	3.1
120.04511	2.2
121.02961	2.8
122.06070	1.5
123.04560	3.3
124.07734	1.6
129.05574	1.4
131.03513	2.6
135.00890	1.7
135.04552	1.4
136.07703	1.7
138.09238	2.9
143.03529	3.0
145.02986	2.2
147.05606	1.5
148.01663	2.9
148.04045	18.1
149.04387	4.9
150.05621	11.9
151.00356	2.5
151.05952	2.5
154.05096	1.4
159.04465	1.5
160.04030	5.5
161.02551	2.7
161.04816	29.4
162.05177	9.2
163.00327	2.4
163.06187	9.9
165.18143	1.3
171.10188	2.2
173.02402	3.0
173.06099	2.1
174.04268	4.7
175.05122	28.1
176.05492	10.1
177.05605	1.9
178.99847	15.1
182.11942	1.3
183.04324	1.8
185.02411	4.7
185.05972	1.7
187.06262	1.5
189.06841	1.8
190.07397	4.6
190.99870	3.4
191.08086	4.1
192.00703	6.2
198.03285	1.4
199.03978	2.3
201.07796	2.1
201.11304	5.3
202.08719	4.4
202.94411	1.3
203.04582	4.7
203.09099	2.6
204.04910	1.7
205.07138	4.0
206.99228	1.8
211.04077	3.9
212.04735	1.9
215.08347	2.1
216.06601	4.4
217.07022	2.2
226.02750	4.7
227.03465	8.4
229.05006	1.5
231.07715	2.2
232.08585	5.8
233.09218	12.8
234.09537	5.2
235.09628	2.0
239.03537	5.6
243.02957	4.3
244.09827	45.7
245.10127	24.8
246.10426	8.7
247.08197	8.1
253.05022	2.4
254.02312	1.6
255.02975	16.9
255.06447	2.3
256.03552	2.7
269.17523	11.6
271.02487	43.5
271.05392	2.5
272.03021	6.4
281.01178	1.5
282.01675	3.8
283.02466	23.7
287.10284	3.4
287.14014	5.7
288.08856	3.9
289.05115	1.4
289.09116	3.6
290.09433	1.8
293.17587	6.4
299.01950	9.4
300.02704	8.0
301.03586	3.6
305.11456	9.1
306.11703	10.2
307.06146	4.0
307.11874	2.9
308.55682	1.5
311.01910	5.2
319.06168	1.8
323.18781	2.0
328.02234	88.1
329.02957	49.7
330.03366	3.5
335.18588	1.5
337.20245	1.6
338.11392	3.6
339.11710	4.1
340.12537	4.2
371.24576	1.8
381.17868	1.7
389.25385	9.0
400.18561	2.0
424.18869	1.8
425.17206	3.0
429.09900	8.8
430.10226	2.1
442.20010	5.9
442.25241	1.5
443.20145	3.0
444.20029	1.8
456.19464	1.3
468.17514	7.2
469.18109	17.2
470.18631	23.9
473.21124	3.6
474.21646	2.4
475.20648	1.8
475.29568	1.9
589.26062	1.9
593.32697	6.3
607.27307	6.2
636.28192	1.9
637.14136	100.0
637.26306	6.2
638.14471	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	637.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02045	1.2
66.74731	1.2
69.33692	8.4
72.99324	3.0
75.00880	11.0
79.55818	1.2
83.01418	1.7
93.03465	28.2
94.03764	1.3
109.02970	9.0
117.03447	2.1
118.99886	6.2
119.05025	12.2
121.02967	14.9
123.04541	1.7
131.05060	10.3
133.06618	10.7
135.04547	3.8
145.02977	17.3
147.04533	22.6
149.06146	5.8
157.02960	2.7
158.03743	3.5
159.04544	12.9
161.02496	8.6
163.03931	1.3
173.02451	26.8
174.03212	7.6
175.04022	7.5
177.05589	100.0
178.05901	6.6
185.02435	24.9
186.03087	1.3
187.04015	2.5
191.03508	8.1
195.04521	1.3
197.06134	1.9
198.03293	1.5
203.03453	3.7
209.02661	2.2
209.04553	29.1
209.06099	1.4
210.04852	1.6
213.05647	1.4
221.06250	1.3
224.04947	1.8
225.05556	4.7
233.06226	1.7
237.05595	2.5
243.06613	10.6
249.05458	1.2
251.07188	1.6
253.05086	19.6
254.05765	7.3
254.84618	1.4
255.06653	12.4
256.06638	1.3
261.05530	4.6
262.06088	1.7
263.07236	1.7
265.03156	6.7
266.05914	1.3
267.06656	2.1
277.05090	4.2
278.05698	4.0
279.06589	8.2
281.04819	2.1
281.08173	3.6
289.05029	4.8
290.05771	2.2
291.06778	2.2
293.04547	5.5
293.07852	2.4
294.05396	3.9
295.05945	2.1
306.05383	2.0
307.06113	26.8
308.06464	1.8
319.06165	7.3
371.09851	12.9
387.08752	3.3
403.11856	5.2
411.08884	1.3
429.09833	58.3
430.10208	8.3
447.10736	4.3
505.11417	1.6
582.84857	1.3
646.91492	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
61.31100	1.1
69.60660	7.9
69.60996	1.8
75.00877	15.6
80.38402	1.1
84.59305	1.1
93.03469	4.2
109.02950	13.3
117.03456	1.5
118.99855	1.3
121.02966	25.7
123.04575	1.8
133.02974	2.0
135.04536	3.6
142.93408	1.2
145.02971	22.6
147.04526	6.7
157.02908	4.7
159.04532	9.0
161.02489	10.4
163.04050	1.7
173.02438	44.9
174.03223	10.8
175.03967	6.4
185.02443	43.6
186.03012	2.7
187.03981	3.9
190.65157	1.1
197.06026	3.5
198.03214	4.0
203.03531	6.3
209.06090	3.7
213.05571	1.1
224.04845	3.6
225.05605	8.2
227.07141	1.7
233.06015	2.5
237.05684	6.7
238.06343	2.3
240.04329	2.2
241.05048	3.3
243.06592	14.6
248.04747	2.5
249.05621	1.8
251.03589	1.6
251.07011	2.2
253.05072	33.5
254.05782	15.0
255.06613	21.4
260.04721	2.3
261.03650	3.7
261.05627	5.7
262.06317	2.4
263.07159	2.0
264.03958	1.4
265.05048	5.3
266.05841	1.5
267.06616	5.1
273.05429	1.8
276.04166	3.5
277.05045	9.3
278.05817	5.0
279.06665	19.4
280.07309	1.4
281.04633	3.4
281.08176	7.4
288.04337	1.6
289.05060	5.4
290.05801	4.3
291.03250	1.2
291.06506	3.7
292.03754	1.5
293.04520	8.4
293.08209	3.9
294.05341	11.1
295.06049	4.9
301.04993	3.1
305.04596	3.5
306.05240	5.7
307.06128	49.3
308.06476	2.9
319.06119	15.9
320.06705	3.9
352.40549	1.5
387.08850	6.1
403.11963	9.7
411.08710	2.6
429.09790	100.0
430.10291	12.8
447.10760	3.9
505.11310	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	635.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06221	0.8
52.25000	0.9
59.01386	2.7
65.95648	1.1
69.62867	6.9
77.70297	1.1
82.02999	5.8
84.60132	0.8
96.04581	1.2
98.20657	1.6
98.45012	1.1
109.47953	1.0
112.04013	2.2
116.07413	1.0
120.04578	3.3
120.30075	0.8
121.06576	1.7
121.68040	0.8
122.06152	1.2
129.05547	4.2
136.07692	4.3
138.09271	3.2
147.03342	1.0
147.04547	1.1
148.04045	31.3
149.04774	1.1
150.05634	20.1
154.05103	2.5
160.04019	11.9
161.04836	58.1
162.05559	6.4
164.03583	2.1
173.03557	3.9
173.04854	1.4
173.06125	1.2
174.04326	7.1
174.05643	3.5
175.05133	55.3
175.06355	2.9
176.05862	6.7
176.10977	0.9
177.06628	1.0
179.08168	1.1
184.07819	1.0
186.05635	1.6
187.06383	2.7
189.06717	4.9
190.07448	9.0
190.08794	1.0
191.08263	7.9
200.07167	2.1
200.10751	1.1
201.07823	2.5
201.09306	2.6
202.03868	1.2
202.08846	9.8
203.04646	12.9
203.08260	2.8
215.05951	0.9
215.08319	1.9
216.06680	5.9
216.10329	1.6
226.08948	1.1
228.06723	2.7
229.07437	2.0
231.07735	2.4
232.08560	10.2
233.09312	27.2
234.09663	1.7
242.08217	1.2
243.07759	1.7
243.11374	2.1
244.09833	100.0
245.09561	9.8
261.12445	1.1
263.10202	2.5
268.08337	1.2
286.09619	2.7
287.10364	6.7
287.13794	2.0
288.08743	13.3
289.09409	2.0
292.55408	1.0
295.10959	1.8
304.10983	1.1
305.11456	30.6
306.11707	1.7
312.13589	2.4
338.11456	13.6
339.11975	2.5
370.17688	2.6
396.15756	1.9
400.18774	2.3
424.09811	0.9
424.19000	1.5
442.19781	9.6
454.19879	2.1
455.18512	1.5
467.16974	3.5
468.17770	59.9
469.18039	6.3
472.20840	14.3
473.21277	2.2
563.25244	1.8
587.25262	1.6
605.26215	9.4
606.26331	1.4
617.26306	2.0
635.27271	10.3
636.27289	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00398	0.8
59.01393	1.7
60.12228	1.0
82.02975	6.4
87.25983	1.0
96.04533	1.4
109.00037	0.8
112.04077	1.6
120.04556	4.5
122.02496	1.7
122.06044	0.9
129.05585	3.1
132.04552	1.6
132.75487	1.0
136.07687	3.2
138.09253	2.3
145.69269	0.9
147.04478	0.9
148.04048	35.1
149.04738	2.3
150.05605	19.8
154.05107	1.7
160.02859	1.8
160.04045	12.0
161.04828	60.2
162.05441	3.7
164.03519	3.7
173.03537	3.2
173.04832	1.8
173.06079	1.1
174.04311	6.8
174.05623	3.9
174.85599	1.0
175.05118	55.5
175.06322	2.4
176.05893	5.8
177.06644	1.3
181.61623	1.0
186.05559	1.5
187.06395	3.0
188.07161	1.6
189.06725	4.6
190.07440	9.3
190.87926	0.9
191.08217	6.7
200.07057	1.6
200.10944	1.1
201.07912	3.6
201.09433	2.2
202.03748	1.1
202.08780	11.2
203.04597	12.5
203.08188	2.0
204.06697	1.4
213.10403	1.1
214.11050	1.2
215.05800	1.4
215.08286	1.1
216.06656	7.6
217.07532	1.0
217.09674	1.2
228.06664	1.4
229.07419	2.4
231.07660	2.4
232.08585	10.4
233.09312	24.4
242.08229	1.3
242.10512	1.4
243.07736	1.3
244.09796	100.0
245.09666	9.9
248.82449	0.9
257.87155	1.0
263.10358	1.4
286.09601	2.1
287.10507	6.1
287.13379	1.4
288.08688	17.0
289.09314	1.2
303.10043	1.2
304.10461	1.1
305.11414	34.9
306.11682	1.8
312.13605	1.1
338.11530	12.9
339.11896	1.9
370.17661	2.1
377.19379	0.9
400.18716	2.6
412.18295	1.3
419.92371	1.0
424.18527	1.8
425.17276	1.2
426.16748	1.2
442.19891	8.5
443.19891	1.8
454.19611	2.1
455.18878	1.2
467.17307	1.8
468.17715	62.8
469.18057	9.0
472.20877	15.1
473.21231	1.5
558.58295	1.2
563.24933	1.9
605.26202	8.8
606.26349	2.1
635.27551	8.6
636.28021	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.9
72.44837	0.9
75.95464	0.8
75.98096	0.7
82.02993	4.2
86.27419	0.8
96.04565	2.1
98.20628	2.0
108.04568	1.0
112.04057	1.9
114.88745	0.8
120.04557	4.5
122.06054	1.3
129.05591	2.7
132.04581	1.1
134.06090	1.3
136.07690	3.4
138.05608	1.6
138.09279	2.7
142.99973	0.8
147.04590	1.2
148.04054	31.9
149.04669	1.9
150.01897	0.9
150.04425	1.2
150.05614	16.2
154.05093	1.5
159.08119	0.9
160.04050	10.1
161.04831	56.9
162.05605	4.4
164.03534	3.5
173.03554	4.6
173.04822	1.5
173.06065	1.1
174.04295	7.4
174.05624	4.2
175.05128	51.3
175.06351	2.3
176.05792	4.3
177.06769	1.1
186.05582	2.3
186.70219	0.8
187.06413	3.9
188.07222	1.7
189.06670	3.4
190.07430	9.5
191.08209	5.6
200.07153	1.4
201.07799	2.2
201.09236	2.8
202.03787	1.2
202.08871	8.8
203.04604	12.3
203.08261	1.4
204.06636	1.5
214.05168	1.1
215.06065	1.3
215.08211	1.7
216.06776	4.5
226.08688	2.0
228.06682	2.7
229.07542	1.9
231.07764	1.7
232.08527	8.8
233.09312	24.3
242.08189	1.1
243.07646	1.3
243.11456	1.4
244.09811	100.0
245.09583	8.7
249.94789	0.8
263.10291	1.8
268.08804	1.0
270.07602	1.4
281.09378	0.9
286.09515	2.3
287.10376	6.4
287.13962	2.4
288.08719	14.5
288.11618	1.1
289.09283	2.4
295.11023	1.9
304.10559	1.1
305.11459	33.0
306.11935	3.0
308.40329	0.9
312.13641	1.5
338.11472	15.8
339.11893	1.7
370.17645	2.9
396.15656	1.2
400.18784	2.1
412.18716	1.2
424.18695	1.3
442.19870	9.6
443.19998	1.1
450.16754	1.4
454.19675	2.2
455.18417	1.2
467.17090	2.0
468.17758	66.1
469.18222	9.4
472.20840	15.9
473.21130	1.8
563.24768	1.1
605.26141	10.0
606.26569	1.3
617.25800	1.5
635.27405	8.0
636.27527	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98906	1.1
52.75439	1.1
57.47157	1.0
59.01387	9.2
61.98828	4.1
69.68057	1.3
70.71291	2.9
70.71636	1.3
71.01386	3.5
72.99285	1.2
73.02934	1.2
75.00864	2.3
78.95901	4.2
83.01372	2.8
85.02952	2.5
89.02426	1.3
90.36336	1.1
92.17705	1.3
93.03457	20.3
94.03755	1.3
96.31915	1.1
96.95990	2.8
101.02404	1.6
107.05045	1.7
116.92856	1.9
117.03421	1.3
118.99850	4.0
119.05033	8.3
121.02903	1.3
131.05020	8.5
133.06590	6.3
135.04565	1.4
145.02957	4.1
147.04526	14.1
149.06104	5.7
158.03667	1.7
159.04509	5.7
163.03952	2.0
175.03961	3.8
177.05569	100.0
178.05879	3.9
265.03564	8.3
282.12405	1.4
327.25299	1.8
396.15646	3.7
399.21469	1.9
561.27148	1.6
635.27930	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	635.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98906	1.1
52.75439	1.1
57.47157	1.0
59.01387	9.2
61.98828	4.1
69.68057	1.3
70.71291	2.9
70.71636	1.3
71.01386	3.5
72.99285	1.2
73.02934	1.2
75.00864	2.3
78.95901	4.2
83.01372	2.8
85.02952	2.5
89.02426	1.3
90.36336	1.1
92.17705	1.3
93.03457	20.3
94.03755	1.3
96.31915	1.1
96.95990	2.8
101.02404	1.6
107.05045	1.7
116.92856	1.9
117.03421	1.3
118.99850	4.0
119.05033	8.3
121.02903	1.3
131.05020	8.5
133.06590	6.3
135.04565	1.4
145.02957	4.1
147.04526	14.1
149.06104	5.7
158.03667	1.7
159.04509	5.7
163.03952	2.0
175.03961	3.8
177.05569	100.0
178.05879	3.9
265.03564	8.3
282.12405	1.4
327.25299	1.8
396.15646	3.7
399.21469	1.9
561.27148	1.6
635.27930	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	633.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75061	2.6
59.01379	15.5
61.98838	4.7
64.23863	2.7
65.01507	2.7
71.01389	7.1
73.04078	3.5
75.00881	2.9
85.02950	3.9
88.98808	3.9
89.02436	3.0
94.02977	3.1
96.96012	7.9
101.02395	3.4
101.48815	2.8
120.04546	7.1
122.06131	20.8
125.09723	2.5
134.02538	2.4
134.06128	6.6
136.07674	6.2
138.09241	5.4
145.02896	3.5
148.04054	34.1
149.02509	2.8
149.04814	3.6
150.01881	3.5
150.05621	50.9
151.05881	3.1
152.07169	2.8
159.37634	2.5
160.04060	5.6
161.04782	11.1
162.05626	19.1
164.07162	3.0
172.07620	2.8
174.05585	2.9
175.05116	11.6
176.07251	2.9
178.08752	10.1
188.10892	4.3
199.06477	3.1
200.07196	23.4
202.08824	2.8
203.04625	9.2
203.08118	3.6
206.88683	3.1
214.08771	10.1
215.08344	9.8
228.05348	7.9
229.09880	14.3
230.10539	10.2
231.11401	61.0
241.09865	3.7
243.07715	53.3
244.08394	6.8
245.09175	5.6
253.09435	3.5
255.07724	8.4
255.11430	3.8
256.08511	9.9
257.09381	33.1
257.12314	3.8
269.09265	4.4
273.12405	14.6
283.10876	3.4
287.06689	7.2
287.13916	5.6
293.09109	4.7
294.14941	6.2
301.08386	4.6
305.09174	3.5
307.10770	6.0
309.12433	3.3
335.09125	7.6
335.14023	12.8
336.09915	22.5
337.10483	2.6
337.11896	3.2
337.15521	22.0
338.15372	6.1
348.09900	5.7
349.10715	9.9
350.11444	25.8
351.12073	12.4
352.12961	16.3
363.12793	5.5
364.13016	9.3
365.13779	3.6
377.14288	3.4
378.14706	22.0
379.15970	8.0
380.16177	37.5
381.16861	4.6
388.13000	4.5
394.13916	7.5
395.14160	3.5
404.11963	4.2
405.13348	6.0
406.14063	50.1
407.14426	3.2
422.17636	26.3
423.14841	7.7
424.15076	66.7
425.15335	6.0
438.15897	3.3
465.15442	18.2
466.16220	100.0
467.16653	12.8
500.21426	3.7
517.24390	7.5
543.22461	20.7
547.25342	6.4
559.25470	10.3
561.23572	22.4
562.24078	3.6
566.32928	12.9
567.33246	19.2
573.23621	17.4
589.26434	5.4
591.24670	30.4
603.15613	4.8
603.24689	47.1
604.24786	7.8
633.24988	30.3
634.25568	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	633.257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56157	3.0
58.30900	2.7
59.01376	11.5
61.98825	4.0
69.34192	24.1
71.01380	4.9
75.00871	2.9
88.50365	2.5
94.03001	2.5
96.96012	6.9
101.02419	2.6
116.92836	3.8
120.04530	7.6
122.02479	3.2
122.06127	15.9
134.06129	3.9
136.07616	5.6
138.05673	3.3
138.09250	8.4
148.04066	34.3
149.04784	3.8
150.05600	50.6
160.04005	13.9
161.04852	40.5
162.05626	22.4
164.03528	3.9
164.07120	4.1
173.03546	5.1
173.04880	3.2
174.04355	5.1
175.05161	15.2
178.08777	5.2
186.05574	3.2
188.10791	4.3
198.78128	2.6
200.07133	14.9
201.07988	4.9
201.11389	4.4
202.08794	5.9
203.08238	9.6
210.48601	2.6
213.06544	2.8
214.08717	8.2
215.08243	7.2
216.06813	3.0
216.08755	2.8
223.07593	3.3
228.05380	3.3
229.09866	15.7
230.10556	8.5
231.11378	52.0
232.11736	3.5
243.07736	33.9
244.09900	43.1
245.09720	4.2
253.09610	2.8
255.07791	8.3
255.11433	3.9
256.08545	8.2
257.09290	20.2
257.13007	3.7
267.07831	2.9
267.11362	3.4
271.10953	3.5
273.12473	8.5
283.10873	4.3
287.06595	3.7
287.14175	3.3
288.08737	7.3
293.09457	7.8
294.15100	7.0
307.10883	3.6
308.11133	3.2
321.12570	3.5
322.08466	4.7
334.07870	2.9
335.09155	8.2
335.13940	12.4
336.09949	37.6
336.14017	3.4
337.10623	6.6
337.15524	28.6
338.15115	10.1
348.09760	3.8
349.10800	9.1
350.11389	25.9
351.12277	14.0
352.13016	22.5
361.11877	3.0
362.11368	5.0
363.12509	16.8
364.13123	15.8
365.13428	4.0
378.14587	25.4
379.15939	10.8
380.16168	48.7
385.22159	8.1
390.10983	3.8
394.14023	9.3
404.12460	3.9
405.13272	8.5
406.14069	68.3
407.14377	7.4
422.17810	19.9
423.15210	10.5
424.15164	82.6
425.15344	6.9
448.14804	3.8
465.15433	27.4
466.16196	100.0
467.16415	11.6
470.19318	4.8
489.21164	3.6
500.21375	2.6
507.22321	4.0
513.16644	8.8
517.24725	13.0
519.22095	3.1
531.22498	4.9
543.22778	25.9
544.22852	3.2
547.25568	5.3
559.25537	7.3
561.23456	20.5
563.29865	3.3
573.23743	21.4
574.23761	3.8
589.26215	6.0
591.24677	26.2
591.33417	4.4
592.25262	3.2
603.24597	43.6
604.25494	4.4
615.24701	3.1
633.25696	34.2
633.34918	4.2
634.26178	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	633.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	1.1
57.03444	1.9
59.01383	3.8
60.33923	0.6
69.61147	1.4
69.61553	3.0
71.01386	61.7
71.30751	0.6
72.01734	1.1
73.02943	1.3
75.00877	73.9
85.02956	13.3
87.00887	0.9
87.04506	0.8
88.38352	0.7
89.02476	0.8
90.09803	0.8
93.03458	8.3
98.20523	0.9
101.02451	2.0
103.04024	0.9
108.02177	1.5
115.04101	0.8
117.03475	1.2
119.05025	10.4
121.02957	0.9
123.04500	1.3
125.02454	1.2
129.01950	50.9
130.02278	1.1
133.06587	0.8
135.04527	1.6
138.50223	0.7
145.02974	3.9
145.06596	2.4
147.04512	0.7
159.04475	1.2
161.02412	1.1
163.04021	1.0
163.06145	2.4
173.06128	1.6
177.05614	1.9
191.07162	5.4
205.07224	0.8
209.06131	0.7
210.06871	55.5
211.07643	100.0
212.08020	6.6
218.96503	0.7
222.06911	1.2
223.07544	3.9
225.09239	9.0
237.09207	11.7
238.09770	1.8
239.10747	4.6
242.95732	0.7
247.08073	1.2
253.08733	5.5
257.08224	0.7
265.08707	6.3
271.02512	0.8
279.03036	3.1
279.10291	1.0
283.09744	1.9
283.15378	1.1
284.67795	0.7
297.11301	16.3
297.14401	1.2
298.11761	1.2
300.02567	1.1
301.03568	2.1
318.94275	0.9
341.10312	7.2
391.20395	0.6
415.13953	20.6
416.14255	2.3
487.15738	4.4
503.15823	1.1
545.16516	7.5
546.17645	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09998	0.6
55.33544	0.6
71.01382	0.8
71.05192	0.6
71.60234	0.6
72.99288	1.0
75.00888	0.8
75.02843	0.5
83.01373	0.9
93.03465	22.9
107.04996	0.8
109.02969	3.2
110.65059	0.6
116.05071	2.3
117.03472	1.0
118.99850	2.9
119.05038	8.7
121.02959	1.8
121.06573	0.7
130.04234	0.9
131.05052	8.2
133.06636	5.6
134.03835	0.6
135.04584	1.0
145.02960	4.9
147.04543	15.7
148.04924	0.6
149.06093	5.8
158.03728	1.9
159.03360	1.0
159.04536	7.6
160.04048	95.6
161.04431	3.7
163.03993	0.9
175.04022	2.1
177.05583	100.0
178.05940	4.3
204.03011	4.5
213.10710	0.7
265.03534	7.1
366.08304	44.6
367.08551	3.0
413.28049	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	11.7
71.01368	4.7
73.02887	2.7
75.00863	4.1
82.02959	4.5
89.02426	3.0
93.03462	25.1
98.20724	6.7
101.02500	5.4
113.42718	3.1
119.05044	18.1
120.04432	3.6
131.04980	7.9
133.06613	4.9
133.73048	3.3
133.91171	2.6
135.04454	3.3
145.02966	9.0
147.03423	5.1
147.04536	20.4
148.04033	13.9
149.04875	4.8
149.06084	4.5
150.05614	10.9
159.04527	7.2
161.04799	7.2
163.03998	5.0
164.03433	3.5
173.03595	4.6
174.04346	10.9
175.05157	6.3
177.05566	100.0
178.06036	4.6
184.39653	2.9
189.06688	5.8
190.07472	16.9
202.08966	3.9
211.07306	2.7
231.07724	11.7
232.08458	21.0
233.09351	3.9
244.08473	2.7
244.09912	3.9
253.09195	3.1
286.09595	6.0
315.13464	5.9
340.12906	2.9
398.17197	17.9
410.17368	6.9
428.44800	3.0
452.18481	7.7
453.17105	5.0
470.19345	79.0
471.19720	4.4
523.16864	3.4
561.23706	3.2
615.24109	3.6
633.25586	20.5
634.26324	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	631.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	9.7
61.98832	2.8
71.01385	4.0
71.61090	1.6
72.99319	1.0
73.02954	3.0
75.00878	2.0
85.02946	2.1
87.04562	1.4
88.98793	5.0
89.02444	2.0
91.31535	0.9
96.96046	2.3
97.06600	1.8
101.02450	3.3
106.54710	1.1
107.40993	0.8
113.02480	1.8
125.09752	5.1
137.09712	2.4
138.72876	1.0
139.04001	1.5
155.10805	1.3
163.06088	1.2
165.12915	1.7
171.10292	6.3
185.11871	1.6
201.11215	1.2
204.35707	1.0
209.11823	1.1
239.12843	1.8
313.98267	1.0
314.12326	1.2
321.24347	1.6
325.24081	1.1
327.24631	1.1
339.25397	5.6
365.23221	5.9
374.83044	1.1
381.22803	1.2
383.24362	100.0
384.24637	9.6
396.28531	1.1
397.25262	5.1
398.26163	1.0
423.27460	1.4
424.27954	1.9
425.29556	6.2
451.27090	1.7
468.26602	1.2
469.27805	7.8
631.32361	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	631.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	9.7
61.98832	2.8
71.01385	4.0
71.61090	1.6
72.99319	1.0
73.02954	3.0
75.00878	2.0
85.02946	2.1
87.04562	1.4
88.98793	5.0
89.02444	2.0
91.31535	0.9
96.96046	2.3
97.06600	1.8
101.02450	3.3
106.54710	1.1
107.40993	0.8
113.02480	1.8
125.09752	5.1
137.09712	2.4
138.72876	1.0
139.04001	1.5
155.10805	1.3
163.06088	1.2
165.12915	1.7
171.10292	6.3
185.11871	1.6
201.11215	1.2
204.35707	1.0
209.11823	1.1
239.12843	1.8
313.98267	1.0
314.12326	1.2
321.24347	1.6
325.24081	1.1
327.24631	1.1
339.25397	5.6
365.23221	5.9
374.83044	1.1
381.22803	1.2
383.24362	100.0
384.24637	9.6
396.28531	1.1
397.25262	5.1
398.26163	1.0
423.27460	1.4
424.27954	1.9
425.29556	6.2
451.27090	1.7
468.26602	1.2
469.27805	7.8
631.32361	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	631.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	3.3
61.98837	1.9
71.61996	1.6
72.99311	5.9
75.00883	2.2
75.37022	1.5
78.95943	1.6
83.01409	1.8
91.00397	2.1
106.09713	1.2
136.45720	1.5
138.13431	1.3
167.14391	4.1
191.14420	5.3
193.16026	11.0
203.41263	1.5
231.17516	4.9
233.15443	5.3
235.17061	2.1
259.17062	1.8
261.14969	3.0
275.16586	6.6
279.15900	2.0
319.15472	4.4
326.13861	1.6
409.31094	4.0
427.32193	3.9
445.33405	3.5
451.32135	4.6
461.37491	1.4
469.33221	5.9
495.31192	2.6
513.32098	3.9
550.55878	1.5
587.35803	10.0
598.14417	1.5
631.34918	100.0
632.35291	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	631.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.9
61.98824	1.3
65.04116	0.6
68.75928	0.5
69.54803	0.7
73.02957	1.7
75.00868	1.9
76.52645	0.7
78.95918	1.9
96.12650	0.7
98.20734	1.3
99.48828	0.6
99.92589	12.2
113.33399	0.6
116.07180	0.9
116.92867	100.0
116.97251	1.5
117.01949	3.9
117.05571	0.9
117.92872	4.5
140.83838	0.6
144.83595	0.6
145.51347	0.7
192.53439	0.6
287.68503	0.7
287.71884	0.6
330.25037	0.7
346.05707	0.8
517.59778	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.1
61.98830	8.9
69.28520	7.4
69.28947	5.0
69.75893	1.1
71.01351	1.4
73.02940	9.0
75.00867	5.1
77.20020	1.3
87.09839	1.2
88.98753	2.1
91.28422	1.3
98.20481	5.2
99.00900	2.6
99.92593	14.4
110.79516	1.3
115.00414	1.4
116.07210	3.1
116.92869	100.0
116.97260	3.1
117.01952	19.2
117.05584	8.6
117.92873	4.0
121.13847	1.2
259.16367	1.3
327.18466	1.7
406.75848	1.5
568.35272	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03472	1.2
58.00578	1.1
59.01384	18.9
63.32874	1.0
64.41956	1.0
71.01399	9.0
71.37657	1.1
73.02952	17.0
73.77306	0.8
75.00886	4.7
79.35917	0.9
83.01395	4.7
84.76135	0.9
87.00883	26.8
95.05048	1.0
97.06599	2.8
100.34129	0.8
101.02460	12.5
111.04462	0.8
111.08175	2.2
112.01662	1.5
113.02461	2.6
113.06106	2.8
114.38449	0.9
119.05019	1.5
123.04549	1.2
123.08179	5.1
125.02452	4.8
125.06112	2.3
132.67932	0.9
133.02950	2.0
135.04514	4.1
142.06622	1.8
143.03496	1.2
145.02959	3.9
151.11299	2.2
153.05556	1.0
161.02461	11.5
161.04579	1.6
167.07124	2.1
169.12355	11.1
171.10265	3.0
181.12381	2.3
203.05566	1.8
205.08528	1.1
207.17464	1.8
223.17050	3.9
227.07120	1.0
233.19138	2.5
235.17047	2.2
237.03993	4.1
251.16544	2.0
253.18126	1.6
277.18167	9.4
279.16003	2.8
295.15601	8.8
295.19131	100.0
296.19424	6.8
297.17130	5.3
309.17386	1.8
309.20557	6.6
313.16702	2.3
319.19193	2.1
321.17017	8.4
337.16623	1.4
337.20212	9.5
339.18137	25.3
340.18414	1.9
363.18411	1.7
365.11426	1.4
375.09821	1.8
381.19189	3.6
511.15082	2.2
543.24548	10.8
544.24823	1.8
631.22113	1.1
645.18634	1.1
657.11938	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57464	0.5
57.03439	0.5
59.01373	1.6
61.98827	0.5
68.11616	0.5
71.01385	1.2
71.62151	0.5
74.02442	0.6
75.00881	2.0
83.01398	1.4
87.00865	0.5
93.03466	23.3
95.69214	0.4
100.00423	0.6
107.05076	1.0
116.05077	0.8
117.03460	1.2
118.99848	4.5
119.05038	9.9
120.05405	0.5
121.02980	1.1
121.06606	0.9
121.98264	0.4
128.03564	0.9
130.04243	1.4
130.06616	0.5
131.05034	7.8
133.02980	1.2
133.05026	0.5
133.06601	7.9
135.04521	5.2
142.06630	1.8
145.02956	6.7
147.04533	16.8
149.06084	6.4
158.03770	1.5
159.04506	6.8
161.02466	5.2
163.04019	1.9
168.08247	0.5
175.04002	2.9
177.05580	100.0
178.05910	4.5
186.05608	0.9
203.08270	1.1
210.06923	2.1
211.07608	1.3
221.04578	1.7
229.06160	3.7
237.04042	1.9
257.09320	5.0
265.03503	8.8
305.31970	0.5
365.11462	3.3
379.24673	0.5
469.17810	2.3
631.23291	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28686	0.8
59.01380	2.7
59.05263	0.9
65.98861	1.0
69.39021	5.7
69.39439	2.6
71.01387	2.0
72.00930	1.7
75.00878	22.6
85.02972	0.9
89.02436	1.5
93.03452	2.2
96.96029	1.0
100.00423	9.2
101.02451	1.2
109.01686	2.9
109.02969	4.1
110.02470	2.1
116.05095	4.6
117.03487	2.8
119.05057	7.1
119.14175	0.9
121.06644	1.0
130.06635	2.2
132.02167	0.9
133.02972	18.0
134.03763	1.3
135.04539	49.5
136.04871	1.7
142.06641	18.9
143.07002	1.5
145.02977	13.5
147.04591	1.4
157.07727	1.1
159.04535	1.3
161.02460	100.0
162.02805	3.7
175.03979	1.5
179.03569	2.8
185.07269	1.5
186.05620	10.5
187.04074	1.2
203.08258	3.1
204.26912	0.9
221.04486	2.4
227.07138	10.5
229.06187	39.0
230.06544	2.1
237.01675	1.9
237.04060	29.2
238.04367	1.5
239.07170	10.7
255.10324	2.1
281.08249	2.8
283.07324	3.5
295.09967	1.1
301.02914	1.1
307.06067	1.5
324.08469	1.7
338.10315	2.6
349.11856	1.6
365.11432	21.3
366.11679	1.6
393.55389	0.9
467.16504	1.1
485.16968	1.2
511.15125	24.3
512.15424	2.6
529.16101	4.0
587.16870	1.1
598.78088	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37420	1.2
59.01384	3.7
60.99305	15.9
61.98826	2.0
68.99572	1.8
78.95907	1.7
80.96564	1.5
87.00883	2.1
88.00400	12.3
88.98808	100.0
89.02444	56.8
103.92029	1.7
104.92763	1.2
112.98573	3.9
122.89411	3.7
141.22415	1.3
148.90981	8.3
155.44035	1.2
162.92522	1.5
196.25696	1.4
219.62967	1.2
322.96301	2.6
324.97864	8.5
342.99011	2.0
410.69394	1.4
540.46265	1.4
573.77991	1.5
629.21326	6.2
653.35822	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.8
59.01384	12.3
60.16769	1.3
61.98824	4.3
69.03456	2.2
69.88112	1.2
71.01394	7.3
71.61468	1.7
73.02929	2.6
75.00853	2.9
85.02948	1.6
86.14126	1.2
87.00880	1.5
89.02449	3.5
94.91464	1.2
97.06588	12.1
101.02443	6.3
113.02448	1.9
113.41308	1.3
119.03462	1.5
123.08190	6.7
125.02477	1.3
125.09727	96.4
126.10087	2.9
169.08725	2.3
183.13913	2.2
187.09764	74.0
188.10080	3.1
205.12288	2.4
211.13503	1.5
223.13353	12.6
245.99652	1.4
253.09308	4.6
405.17740	6.5
423.18738	15.9
459.21957	1.4
490.71039	1.5
629.31763	100.0
630.31891	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	629.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.7
59.01145	1.1
59.01388	14.8
61.98822	5.6
63.83631	1.1
66.11204	1.2
69.03444	1.8
71.01395	9.8
71.61666	1.7
72.99293	2.0
73.02947	3.6
75.00852	1.5
75.10263	1.2
78.95927	1.6
79.06573	1.0
81.03430	1.6
83.01376	1.2
83.04994	1.7
85.02957	6.0
87.00876	1.6
88.98826	2.5
89.02455	4.9
95.01410	1.2
95.05010	2.1
96.96019	2.0
97.03015	1.4
97.06574	2.7
101.02435	3.6
109.02930	1.3
113.02443	5.2
119.03568	1.3
123.08145	4.0
125.09719	10.4
127.11230	1.7
135.08215	1.2
137.09729	1.7
138.23259	1.2
139.04005	3.9
153.09213	3.3
153.12854	1.3
155.10779	3.0
171.10297	27.1
183.10243	2.0
185.11761	1.8
200.10580	1.4
209.11790	3.6
211.13397	3.9
212.13737	1.7
213.13919	2.3
223.16862	1.3
227.07185	2.2
227.12930	1.9
251.16437	1.3
257.19174	1.5
279.16031	1.8
303.21753	3.3
307.22910	1.7
323.22192	1.3
325.23859	31.6
326.23944	1.9
363.25610	1.5
375.20972	1.7
377.26987	5.2
378.27631	1.6
381.26593	47.2
382.26816	4.7
393.26526	2.6
395.28040	55.2
396.28229	5.5
405.26346	4.6
423.27551	99.3
424.27936	11.1
437.29242	6.4
449.25397	13.7
465.28488	3.0
467.26462	100.0
468.26596	8.9
509.27536	3.2
510.13617	1.3
580.13983	1.4
585.30371	3.6
611.30096	3.4
629.31610	72.5
630.31897	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	629.107
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34417	5.2
59.01385	33.0
59.01655	5.6
59.11240	4.9
61.98830	9.5
65.66479	4.7
69.48653	44.5
71.01382	14.0
72.99313	5.7
75.00890	15.1
80.04200	5.0
83.01451	5.1
85.02957	5.6
89.02467	6.8
93.03468	14.4
96.96020	11.5
101.02460	10.3
108.08161	5.9
115.80302	5.5
117.03481	6.1
119.05040	21.4
121.02994	5.6
123.51490	4.9
125.02475	7.1
132.91919	5.8
135.04485	5.4
145.02977	26.9
163.04106	5.6
211.07596	12.0
215.08670	5.7
218.55034	5.4
227.03525	21.2
255.02997	50.8
263.05658	6.1
265.08704	8.1
284.03256	57.2
285.04092	69.1
301.20203	6.2
319.21188	35.2
366.06015	7.3
463.04590	6.1
585.30621	17.0
593.13129	100.0
594.13312	13.9
629.29431	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.0
62.75571	0.3
62.86441	0.3
63.96228	1.1
64.76063	0.4
69.61850	1.4
69.62260	0.9
71.01388	5.3
72.99293	0.5
73.02960	1.2
77.88763	0.3
78.98596	3.9
79.95741	10.4
80.96520	50.2
81.03432	0.6
83.01398	0.5
85.02971	2.6
87.00867	1.8
94.98091	10.4
96.96007	0.7
97.02953	1.3
101.02457	2.1
101.96604	0.4
106.98080	2.9
113.02471	0.4
122.13395	0.3
122.97616	1.9
125.02451	2.2
126.02780	0.4
127.04029	0.5
134.97568	3.6
136.99136	1.2
148.99139	4.7
152.98643	4.1
164.98621	9.3
167.00146	0.4
197.11882	0.5
206.99617	2.0
209.11903	0.5
225.00743	16.2
228.21149	0.3
280.94839	0.4
315.03918	0.6
510.90753	0.4
583.39349	0.6
605.63666	0.4
627.34174	100.0
628.34540	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	628.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05307	1.3
61.98836	100.0
64.96321	1.3
68.92727	1.3
74.87584	1.2
86.29054	1.5
94.36300	1.1
98.20658	2.3
104.09616	1.2
125.46275	1.4
156.41949	1.5
162.32899	1.6
181.16022	1.5
199.16994	15.4
223.17026	3.9
241.18100	1.3
247.17136	6.6
265.18073	4.2
309.17203	1.8
565.37439	31.0
566.37549	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	627.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49916	0.4
59.01379	5.9
60.07663	0.4
61.98827	1.3
63.96241	1.0
69.03458	0.9
71.01381	6.8
71.17495	0.5
71.17838	0.8
73.02943	2.0
73.06530	0.5
75.00887	0.6
78.98604	3.9
79.95741	8.7
80.96521	48.7
81.03479	1.2
85.02961	2.2
87.00881	2.0
88.98788	0.9
89.02467	0.6
90.11926	0.4
94.98094	11.2
95.01397	0.5
96.96018	1.0
97.02959	1.2
98.06996	0.4
99.00871	0.7
101.02444	3.4
106.98096	1.9
109.06632	0.6
113.02435	0.8
122.03712	1.3
122.97601	2.0
125.02455	5.1
127.03957	0.5
134.79179	0.4
134.97604	3.8
136.05273	0.7
136.99118	1.2
148.99153	4.2
151.07628	1.6
152.98651	4.2
153.58748	0.4
164.98657	9.0
183.10303	1.7
203.37413	0.5
206.99693	1.7
207.10329	1.2
209.11765	0.5
211.13425	1.2
220.41953	0.5
225.00742	13.1
225.11351	1.8
279.02243	0.5
302.33011	0.5
315.03967	1.0
344.50079	0.5
355.18918	0.8
373.20062	1.1
391.20972	0.5
465.31995	1.3
502.01437	0.5
609.29510	1.7
610.32782	0.5
627.34204	100.0
628.34583	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	627.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14733	4.1
58.47858	5.3
59.01382	100.0
59.69560	4.4
61.98820	16.0
69.55793	35.0
71.01385	19.5
73.02944	6.7
74.50663	4.4
75.00881	7.3
79.95752	6.1
80.96529	33.5
81.42198	4.5
83.01384	5.2
85.02951	12.2
88.98173	4.2
89.02463	18.6
91.04003	4.4
91.96966	4.5
92.26484	4.2
94.98039	5.2
96.96000	5.7
101.02454	20.8
104.65115	4.7
113.02454	13.1
121.72027	4.5
130.12341	4.3
131.10574	4.2
143.03447	6.4
164.98671	5.0
185.11838	71.4
187.49379	4.3
195.13870	4.8
197.11728	6.4
204.97282	4.6
208.67227	5.0
211.13376	11.1
223.13425	60.4
235.08240	8.0
253.09250	19.3
272.37097	4.8
454.37836	4.7
523.32813	4.7
541.33649	30.4
564.32147	5.8
615.38647	5.7
627.34113	64.4
637.19244	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	627.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07909	4.6
58.40344	5.1
59.01387	100.0
61.98825	10.4
70.62996	4.5
71.01382	30.0
71.18758	8.7
71.19128	6.2
73.02963	9.7
83.01366	5.8
85.02954	8.3
88.53819	4.5
89.02453	18.3
101.02442	25.6
110.23177	5.9
113.02457	17.7
118.90403	5.4
137.16124	5.3
140.56175	5.2
161.04573	9.7
185.11880	9.5
197.11874	22.5
211.13414	31.2
253.09300	31.9
483.89664	6.0
541.33942	49.8
542.34131	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	627.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83092	2.7
57.03451	3.4
59.01376	28.2
66.72803	2.5
69.38316	21.9
71.01392	21.2
73.02956	7.4
81.03458	3.4
81.78328	2.9
83.05028	3.5
85.02925	5.4
87.00871	4.3
89.02438	11.5
93.03470	5.0
95.05016	4.1
96.60570	2.5
97.02934	5.6
97.06599	6.6
101.02435	11.8
108.76659	2.8
109.06586	25.5
111.04541	2.9
113.02421	9.6
121.06606	4.1
123.04517	3.4
123.08121	2.6
125.09750	5.3
135.08134	12.2
135.09091	3.3
143.07249	4.3
149.06078	4.3
150.06877	44.5
155.10782	4.8
161.04532	5.7
161.09682	4.9
163.07649	24.1
163.11288	13.3
164.08418	8.6
171.10291	3.2
175.11278	4.1
177.09213	3.9
179.07103	11.4
179.10799	26.4
183.10278	53.0
185.11810	25.6
197.08134	3.1
205.08534	3.7
205.12268	3.2
207.10280	54.2
211.13409	37.7
212.43716	2.5
225.11328	30.3
235.08167	9.3
249.14894	2.7
251.12923	3.4
253.09227	14.4
263.60260	2.7
265.08719	4.7
265.33035	3.0
275.13013	2.9
285.20709	14.0
311.20157	5.3
319.19299	3.3
329.21320	3.7
337.18146	4.0
345.20654	12.1
347.22281	3.2
355.19092	29.5
356.19711	2.9
363.21774	9.3
373.20209	34.7
391.21301	20.8
443.19254	4.4
447.22766	3.9
447.31207	3.6
461.20554	6.3
464.31253	39.4
465.25723	3.3
465.32104	42.5
466.32346	4.6
581.29572	8.5
583.28223	4.4
591.28143	8.4
609.19067	3.9
609.29059	98.9
610.29431	13.1
627.29553	29.4
627.37463	100.0
628.38483	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	627.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	20.5
61.98833	4.7
70.91642	2.8
71.01395	9.1
73.02967	3.3
75.00880	2.3
81.03493	3.0
83.01440	1.5
85.02953	3.4
87.00923	1.9
89.02462	5.8
95.05041	4.5
96.23893	1.3
97.02994	2.6
97.06601	4.2
101.02458	8.6
109.06596	1.9
113.02451	4.2
115.76585	1.3
117.07146	6.7
119.03516	2.1
123.04539	7.3
123.08193	1.6
131.05070	1.3
133.06621	3.2
135.08183	16.9
136.05310	5.2
136.08502	1.3
145.05054	2.9
149.06105	2.5
150.06865	3.0
151.07622	1.4
153.09212	2.3
157.08699	6.2
161.02458	1.7
161.04576	3.0
161.06061	3.0
163.07631	1.3
165.09254	2.4
179.05641	1.1
179.07133	30.6
181.08693	1.6
181.31128	1.3
183.13918	6.5
185.11778	1.3
192.06676	7.6
193.12431	1.2
196.08731	1.3
197.08189	9.9
205.12314	3.1
209.11856	2.4
211.13408	100.0
212.08575	1.2
212.13768	4.0
213.15091	2.0
218.04565	2.6
221.15553	2.7
231.13992	1.6
233.11845	3.2
235.08217	6.1
247.13348	2.5
249.14998	2.8
251.12921	4.0
253.09364	13.3
275.12820	6.9
285.18674	1.5
301.21658	1.9
311.20245	1.7
319.22800	2.7
327.19794	3.4
329.17697	2.4
329.21265	5.5
337.18127	3.6
345.20673	3.7
355.19125	16.0
356.19626	1.7
363.21802	3.7
373.20297	22.5
391.21408	8.7
447.22198	6.2
464.31290	1.7
465.25250	1.7
465.32272	3.0
581.29846	3.8
583.26746	3.8
591.28015	5.7
599.30859	2.1
609.29132	52.9
610.29913	8.4
627.29022	14.3
627.37769	8.9
628.30194	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91148	5.3
59.01388	100.0
61.98827	7.3
71.57201	6.0
75.00872	4.5
82.07452	4.9
96.14589	5.7
103.36758	4.5
128.44917	5.0
141.01698	64.9
148.68517	5.0
157.17606	4.7
160.58528	5.0
171.94606	5.8
197.11902	6.2
211.13313	7.5
275.06424	6.1
339.00336	5.9
352.80124	7.0
393.86700	5.3
432.45370	5.6
569.08765	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	627.21
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
56.87809	0.9
61.98830	1.4
64.17198	0.9
69.43179	1.0
70.73959	1.0
70.74310	2.2
98.20123	1.4
110.02613	0.9
121.02895	1.0
126.76760	1.0
188.58670	0.9
200.95296	1.1
243.66620	1.0
248.72113	1.0
265.14844	0.9
387.33774	1.0
452.14966	4.3
481.14932	8.0
493.15500	1.4
495.16724	17.5
496.17001	3.5
507.16418	1.4
508.17603	1.8
509.18506	1.4
511.34625	1.0
512.13483	1.8
523.18652	1.2
526.15332	1.4
533.18518	1.0
535.16522	1.3
536.16852	1.2
540.16602	2.3
551.19330	42.8
552.19495	7.6
572.15540	3.2
586.17072	2.3
595.18286	10.2
596.19165	1.5
627.20990	100.0
628.21320	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	627.209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29435	1.2
57.03467	1.6
58.55228	1.1
59.01378	9.5
61.52319	1.2
61.98822	1.7
70.32916	5.6
71.01383	4.9
72.99297	1.5
73.02943	1.5
75.00888	3.2
79.95761	1.9
80.96524	13.9
81.03442	2.2
83.01395	4.0
84.60793	1.3
85.02964	1.4
85.41488	1.3
89.02437	1.8
93.03464	20.9
94.98077	3.7
96.96011	3.2
98.20559	1.3
101.02442	2.1
118.99850	4.1
119.05043	9.7
123.04521	2.9
125.02454	5.2
131.05042	8.3
133.06586	9.0
135.04535	1.6
145.02934	8.3
147.04536	16.5
149.06073	5.0
152.98634	1.5
159.04495	5.4
163.04042	1.9
164.98604	3.3
167.14351	3.5
175.03946	1.9
177.05577	64.8
178.05936	3.6
185.11832	2.1
191.14401	5.2
197.11739	2.7
207.17496	4.1
211.13367	5.1
224.57643	1.3
225.00711	5.2
226.18672	1.6
231.17520	14.7
233.15416	5.2
245.19142	2.0
249.18484	1.7
265.03540	6.3
273.18564	15.2
275.16568	7.0
293.17618	5.6
317.17636	20.9
319.15460	2.4
352.69727	1.4
361.16571	100.0
362.16809	9.9
627.34113	33.8
628.34369	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	627.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	4.1
63.02389	2.4
64.47964	2.3
65.00315	4.9
71.01383	2.5
71.42220	2.7
75.00861	6.3
78.95950	2.5
83.01395	3.6
91.77425	2.0
93.03425	2.2
93.41062	2.1
96.96014	4.1
107.01379	7.1
108.02164	1.9
109.02959	43.4
119.05048	3.9
121.02930	5.4
124.01641	2.5
125.02421	3.3
133.02951	5.4
135.00839	2.7
135.04535	22.5
139.53818	2.0
145.02959	5.8
146.46935	2.2
149.02388	4.3
151.00417	22.0
152.01161	8.1
159.04510	2.4
161.02460	10.4
163.00407	5.1
174.03139	2.1
175.03938	3.6
177.01990	10.3
178.99875	10.5
179.03416	2.5
184.57990	2.6
185.02428	2.9
189.01894	4.5
192.00681	2.9
193.01463	2.1
225.05719	2.5
227.03503	4.9
239.03487	2.3
241.04987	3.3
242.02161	2.5
243.03012	4.0
244.09857	13.2
253.05124	5.7
254.02200	2.9
255.02998	7.1
255.06436	3.9
257.04520	2.7
257.12943	11.8
267.02948	2.7
269.04517	12.2
270.04926	3.0
271.02594	25.8
271.05640	3.1
272.02985	3.6
281.04556	12.9
283.02472	6.5
285.04138	18.1
292.04001	2.3
297.04120	21.4
298.04593	6.6
299.02014	5.6
299.05478	4.0
300.02759	32.1
301.03531	32.4
301.11877	14.0
302.03656	2.6
309.04059	4.9
311.05771	4.0
314.04315	9.1
326.04355	44.6
327.05081	62.3
328.05490	4.3
379.55591	2.3
405.43457	2.2
406.14810	2.5
421.05078	4.0
436.07971	3.6
437.08774	27.8
438.09134	3.3
447.09445	44.6
448.09470	4.0
463.08521	5.3
464.08014	2.9
465.08621	4.3
473.10904	100.0
474.11258	9.9
480.06943	5.2
481.07776	9.4
488.88867	2.6
497.14526	2.3
583.14740	17.9
609.12299	3.7
627.13513	96.3
628.13562	13.5
628.22479	2.6
647.80194	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	627.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64215	2.4
59.01365	7.4
63.02383	6.0
65.00346	13.3
71.01382	3.7
75.00878	6.6
83.01386	4.4
89.02439	2.8
101.02457	4.1
107.01397	23.9
107.05092	2.6
109.02938	9.2
111.00878	2.7
113.02418	3.1
119.05018	4.0
121.02951	11.4
123.04514	3.5
124.01640	9.6
125.02440	6.9
130.72160	3.0
135.04501	11.2
137.02361	2.9
139.03969	5.4
145.02991	6.3
149.02458	3.0
149.99467	2.7
151.00377	77.1
152.01106	10.8
159.04489	3.8
161.02371	6.6
162.03195	5.6
163.00371	9.3
163.04007	4.7
163.07602	6.2
164.01154	4.2
169.01424	3.5
173.02403	2.7
175.03996	3.1
178.99850	37.6
179.03535	4.2
187.03973	4.5
192.00589	6.1
199.03972	3.8
213.05611	2.9
227.03455	8.3
229.04980	6.5
241.05014	5.3
243.02933	16.4
254.02272	5.0
255.02992	38.5
256.03464	6.3
257.04483	8.2
263.71323	2.8
269.04453	9.3
271.02475	74.0
272.02972	8.8
284.03256	9.0
285.04031	86.0
286.04562	9.8
299.01913	8.3
300.02759	100.0
301.03494	52.9
313.03540	12.2
314.04294	61.2
315.04822	5.8
341.08844	3.2
346.03296	65.2
346.07361	2.5
347.03607	6.1
372.96103	3.0
373.61359	3.2
375.08691	3.5
420.08475	25.1
421.09210	27.3
436.07996	6.0
437.08725	52.9
438.09134	5.8
447.09085	5.0
461.10492	3.4
463.08734	39.1
465.07813	3.4
505.09973	24.9
506.10168	3.8
583.14551	53.9
584.14471	7.9
609.12506	42.8
610.12244	7.0
627.13507	88.5
627.24249	4.2
628.13806	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	627.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.5
61.98817	1.2
63.02383	1.8
65.00321	3.7
69.03445	2.2
69.50332	1.8
69.50734	5.6
71.01378	2.2
71.44652	0.9
73.02964	4.6
83.01369	2.9
85.02966	1.2
87.00901	0.8
89.02466	1.1
93.03444	1.5
98.20679	1.8
101.02444	2.8
103.03974	0.9
107.01400	6.5
108.02191	1.8
109.02936	2.6
113.02428	1.4
121.02962	7.1
123.35851	0.7
124.01630	1.7
125.02407	1.7
132.08240	1.0
135.00819	1.0
135.04527	2.5
143.03537	1.4
145.02948	1.4
151.00377	25.7
152.01161	1.1
161.02444	1.4
163.00398	5.4
163.06157	1.2
169.01448	1.6
169.59171	0.9
178.99864	11.3
189.01889	1.0
189.12877	2.0
190.99852	1.5
192.00591	1.5
193.01396	1.2
205.07179	1.5
211.03926	1.8
216.04262	1.0
220.06122	1.9
226.02710	1.6
227.03450	4.1
229.01266	1.0
229.05037	1.4
233.11877	4.1
241.05023	1.3
243.02986	12.3
244.03529	1.2
245.04465	1.4
254.02084	1.0
255.03006	29.0
256.03433	2.6
257.04581	1.5
257.12808	1.0
259.09781	2.0
269.04489	1.9
271.02487	58.7
272.02988	5.2
273.03885	1.2
277.10760	13.9
283.02484	1.0
284.03137	1.0
285.04034	7.1
299.01920	2.0
300.02762	100.0
301.03510	52.1
302.03848	2.8
313.03638	2.0
314.04333	7.5
319.11932	2.4
346.03281	9.4
347.03564	1.2
382.11453	2.4
420.08496	2.3
421.09198	4.0
437.08771	9.9
454.46344	0.9
463.08844	37.8
464.09189	3.2
465.17432	2.5
505.09976	19.4
506.10370	1.8
583.14685	7.2
609.12494	33.1
609.22363	1.6
610.12933	4.1
617.90430	0.9
627.13507	31.4
628.13727	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05957	0.4
55.16978	0.6
65.00325	0.4
66.91225	0.4
67.05715	0.4
71.60961	0.4
71.61347	0.5
74.25598	0.4
83.01366	0.6
85.02955	0.4
89.03914	0.5
93.03464	0.5
97.44326	0.4
100.21299	0.4
101.84570	0.4
102.08016	0.4
107.01406	1.5
107.05084	0.5
108.02197	1.2
109.02963	5.7
117.03455	0.6
119.05029	1.3
120.05370	0.6
121.02949	2.1
125.02448	0.8
125.76706	0.5
133.02954	1.1
134.03749	1.0
135.04533	23.8
136.04884	0.8
138.16147	0.4
145.02940	1.1
148.01645	0.5
149.02417	0.8
151.00377	6.9
161.02396	2.2
163.00365	2.2
173.02251	0.5
177.01952	3.8
178.99866	4.1
179.03517	1.2
187.04015	0.6
188.01099	1.0
189.01988	2.0
190.02608	0.6
199.03989	0.7
201.05719	0.5
203.03516	0.7
205.01349	0.7
211.04124	1.6
213.05573	0.7
214.02745	0.6
226.02733	1.8
227.03540	2.3
229.04982	1.0
239.03511	0.8
243.02977	6.5
244.03452	0.8
245.04611	1.3
253.05119	3.7
254.02342	2.0
254.05557	0.5
255.00462	0.9
255.02998	9.8
256.03583	0.9
267.03070	1.0
269.04486	3.2
270.01868	0.5
270.05124	0.7
271.02502	31.0
272.03018	2.5
273.03860	0.6
280.03696	0.5
281.04510	2.6
282.05173	0.9
283.02502	5.5
283.05603	0.7
284.03259	0.8
297.04050	4.4
298.04712	0.9
299.01981	1.2
299.05020	0.6
300.02771	52.1
301.03525	33.5
302.03903	1.2
309.03757	0.5
310.04941	3.7
311.01959	1.4
311.05588	3.1
325.03433	0.6
326.04312	13.1
327.05035	7.6
331.05270	0.5
361.10245	0.7
447.09344	100.0
448.09692	11.0
463.08905	8.4
464.08826	0.9
473.10889	26.3
474.11267	2.2
489.10333	1.4
627.13171	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	627.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90608	0.9
59.01388	7.6
60.07014	0.7
61.98852	1.4
65.00335	2.2
69.03451	3.2
71.01379	2.9
71.61263	0.9
73.02943	4.9
83.01401	2.8
85.02941	2.0
87.00871	1.7
89.02438	1.7
93.03465	2.8
96.96048	1.0
99.00911	2.0
101.02431	3.8
107.01392	4.1
108.02142	0.9
109.02960	2.8
113.02431	1.9
119.05014	2.2
121.02972	6.7
123.04543	2.0
125.02406	1.2
131.03482	0.9
132.08206	2.8
135.00862	1.1
135.04494	2.6
143.03494	1.2
144.05605	0.8
145.02962	3.0
147.04512	0.9
148.01668	2.0
149.02423	1.8
149.67035	0.8
151.00372	16.4
159.08142	1.5
161.02420	2.4
163.00366	3.6
163.04019	1.2
163.06114	2.2
163.07516	1.2
164.01143	1.0
167.03491	2.5
168.03886	0.9
169.01451	1.2
175.07718	0.9
178.99889	7.8
185.02480	1.9
185.05917	1.0
189.12927	1.6
193.05072	1.1
201.01924	1.0
203.03706	0.9
205.07233	1.5
215.10774	1.3
216.04135	0.9
220.06140	5.8
226.02721	0.9
227.03484	5.0
229.05098	2.0
233.11749	3.6
239.03592	0.9
242.08086	1.0
243.02997	10.3
244.09848	1.9
245.04399	1.5
254.02292	1.9
255.03000	27.8
256.03369	1.0
257.12866	1.9
259.09726	2.5
260.62030	0.8
271.02490	59.4
272.02896	4.4
273.03769	1.1
273.11337	1.3
273.87488	0.9
275.10043	1.0
277.10782	17.2
278.11273	1.1
284.03159	1.1
285.03983	7.8
300.02759	100.0
301.03500	51.2
301.11679	0.9
302.03882	2.7
313.07169	3.3
314.07474	3.4
315.07672	2.5
319.11810	3.2
335.05579	2.3
375.08704	1.3
382.11447	5.2
406.15353	1.0
411.07114	1.3
463.08859	38.7
464.09195	3.8
465.17834	1.2
505.09851	20.2
506.10477	3.0
551.14075	1.0
609.12488	33.7
610.12585	4.2
627.13550	19.8
627.26544	4.1
628.13782	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	626.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16668	0.7
61.81052	0.7
61.98833	100.0
71.02510	1.2
71.02834	1.1
80.04462	0.8
122.49136	0.7
129.46347	0.8
151.97000	0.8
346.62195	0.8
358.12531	0.8
407.73615	0.8
512.03894	0.8
532.87317	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05008	1.4
59.01380	3.0
63.02379	1.7
64.31020	1.6
65.00328	4.8
70.92143	2.7
70.92461	2.0
74.69460	1.5
75.00890	4.6
83.01402	3.0
92.48009	1.4
93.03440	1.7
107.01382	9.0
108.02185	3.2
109.02962	40.1
111.10964	1.7
119.05009	3.1
121.02953	6.3
123.04527	1.9
124.01638	3.1
125.02460	3.9
133.03011	2.2
135.04544	21.6
137.02481	1.9
145.02930	5.1
147.04433	2.2
149.02422	5.7
151.00385	29.0
152.01122	6.9
159.04480	2.5
161.02481	8.0
163.00354	6.5
163.04062	3.9
164.01143	3.3
169.01436	2.4
177.01950	10.2
178.99883	18.6
179.03462	2.9
185.02437	2.1
189.01869	4.0
190.99826	3.8
192.00693	3.0
199.04019	3.2
203.03442	1.6
205.01474	2.5
226.02971	1.5
227.03413	3.1
227.07137	2.0
228.04059	1.6
239.03439	2.4
240.04272	3.0
241.05080	3.6
242.08502	1.7
243.03036	3.2
244.09825	8.6
253.05090	5.4
255.02953	8.0
255.06792	2.5
256.03674	2.1
257.04572	4.6
257.12915	10.6
268.03842	2.0
269.04556	13.1
270.05176	2.5
271.02518	25.3
271.05667	2.6
272.02911	2.9
281.04547	10.7
283.02512	6.7
283.05737	1.7
285.04095	16.2
286.04630	2.3
297.04053	28.2
298.04785	6.1
299.02063	5.1
299.05466	2.8
300.02762	36.2
301.03534	27.5
301.11914	8.9
302.03629	2.7
309.04135	2.6
310.04678	2.2
311.05573	2.4
313.03482	3.4
314.04340	15.2
315.05020	3.8
315.13205	1.6
326.04318	43.4
327.05096	59.2
328.05505	4.1
335.05792	2.7
346.03134	2.0
391.08167	2.1
421.05533	5.1
436.07883	6.0
437.08817	35.0
438.09213	3.7
447.09445	34.8
448.09805	4.0
461.10849	3.1
463.08551	5.0
465.08585	2.8
473.10916	100.0
474.11194	7.5
480.07065	9.0
481.07770	7.0
544.14075	2.2
583.14709	20.2
627.13580	91.6
628.13928	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	625.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59701	0.9
51.69504	1.0
56.84465	1.0
57.02759	1.0
66.92281	1.0
71.01406	1.3
75.00873	1.6
83.01392	1.3
93.03465	23.0
101.56941	1.1
109.02961	30.9
110.03291	4.2
114.23869	1.1
116.36594	1.2
118.99865	3.3
119.05053	8.6
121.02941	1.4
123.04605	1.5
130.04262	1.9
131.05034	8.7
133.06606	8.0
135.04510	3.2
145.02922	3.0
147.04523	17.4
149.06087	5.1
158.03804	1.4
159.04515	4.9
161.02463	2.3
163.04056	1.2
170.92783	1.1
175.04028	3.1
177.05582	100.0
178.05937	4.4
191.03581	1.5
193.05135	2.1
197.04597	1.2
221.04564	1.4
265.03540	7.2
269.78580	1.2
359.10056	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	625.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.2
57.03450	0.8
58.00592	2.0
59.01382	36.9
67.84164	0.4
68.99805	0.5
69.03471	2.1
70.62976	0.8
70.63335	1.1
71.01385	34.6
72.99293	3.2
73.02948	6.5
74.05714	0.4
75.00871	1.2
75.68791	0.4
76.02933	0.4
77.07107	0.4
81.03453	1.7
83.01387	4.5
85.02959	8.2
87.00880	11.7
87.04539	0.6
89.02447	32.2
91.04007	0.9
95.01393	2.9
97.02959	7.2
99.00890	2.1
99.04500	0.7
101.02448	31.0
102.02788	0.5
109.02960	1.0
111.00939	0.6
111.04514	1.0
113.02457	15.7
115.04009	0.9
119.03502	9.1
121.02911	0.7
123.00875	0.5
123.04492	0.4
125.02455	14.6
127.04013	0.6
131.03517	1.5
133.05110	0.9
137.02452	0.4
138.39517	0.4
139.04007	1.2
141.01938	0.6
143.03506	6.7
149.04538	1.2
161.04561	8.2
165.28117	0.5
167.03503	0.9
169.05017	0.6
171.03004	0.7
179.05611	5.8
185.04422	1.0
199.06107	0.5
199.59697	0.4
205.84204	0.4
217.07158	0.7
219.04976	0.7
221.06705	2.7
223.13533	0.6
227.20166	100.0
228.20523	5.2
235.08209	16.1
236.08498	0.5
241.21716	1.4
245.06645	0.8
253.09294	4.7
263.07700	1.8
277.09241	0.8
287.07758	3.3
288.07983	0.5
305.08826	3.2
323.09662	2.5
379.12546	0.9
397.13510	67.6
398.13858	4.2
415.14587	30.1
416.14890	1.5
625.34210	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64657	1.2
56.94904	1.2
59.08997	1.2
71.61236	2.0
72.99308	5.4
75.00884	2.4
83.01397	1.3
86.09602	1.3
88.43500	1.2
93.03471	22.3
98.56911	1.3
100.77238	1.2
105.31562	1.4
109.02966	16.7
110.03246	3.6
117.03500	1.7
118.99860	4.8
119.05022	6.6
120.98566	1.3
121.02948	1.7
123.04533	1.6
130.04268	1.9
131.05035	8.6
133.06592	7.9
134.03777	1.6
135.04486	6.2
145.02936	5.5
147.04530	17.1
149.06065	6.2
150.49425	1.3
158.03719	2.3
159.04495	7.2
164.01085	1.6
175.03973	2.2
177.05573	100.0
178.05884	4.1
179.03485	3.1
193.05009	2.4
193.07555	1.5
197.04478	6.4
238.86862	1.4
244.75009	1.4
265.03601	7.5
359.09821	14.0
360.09976	1.6
594.94989	1.6
630.53851	2.0
647.40979	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87010	0.3
59.01376	1.1
61.52990	0.3
63.02384	0.5
65.00339	1.1
68.99820	0.9
69.65259	2.0
71.01382	0.4
73.02960	0.8
75.00868	0.6
76.08587	0.3
83.01418	0.6
87.00897	0.4
89.02433	0.4
101.02435	0.3
103.03986	0.4
107.01422	1.4
109.02940	0.3
110.00085	0.7
130.24634	0.3
133.03038	0.7
135.00951	0.5
135.04588	0.4
137.02415	0.6
139.00356	1.0
143.04996	0.4
147.04578	0.3
149.02495	0.6
151.00388	5.1
155.05022	0.7
157.03018	0.5
159.04497	1.0
161.02455	1.2
163.00357	0.4
163.06091	0.5
164.01219	1.8
165.99083	1.4
166.99905	0.6
171.04524	0.4
175.04004	0.8
178.99857	0.6
183.04509	1.6
185.02452	0.6
187.04015	0.5
189.01939	0.7
199.04034	2.3
201.01952	7.4
202.02405	0.4
203.03506	4.8
211.03972	0.4
227.03510	5.0
229.01491	0.6
230.02139	0.5
231.02998	5.3
243.02962	3.5
244.03522	0.6
253.01851	0.4
255.02948	2.8
271.02490	60.5
272.02850	3.2
279.03107	0.4
287.02017	0.5
298.00961	0.6
299.01981	100.0
300.02307	7.3
300.05548	0.6
301.03650	0.9
316.02274	4.0
317.02908	1.9
423.05322	0.4
625.14075	7.0
626.14679	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
69.34044	3.3
69.34450	10.7
71.01404	2.9
75.00888	3.0
77.90924	1.4
93.03462	19.9
99.00892	1.6
109.02961	4.8
115.15551	1.2
118.99847	2.3
119.05043	12.2
121.02945	2.3
131.05016	7.1
133.06589	7.3
135.04514	4.6
145.02963	5.8
147.04526	16.4
149.06076	7.6
159.04552	8.3
163.04044	4.2
175.04007	3.0
177.05583	100.0
178.05910	4.5
235.96471	1.4
237.16406	1.7
253.04919	2.8
265.03528	5.9
279.03061	2.6
280.03741	1.5
299.01904	2.0
359.07761	2.0
604.46655	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	625.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
61.93433	1.0
65.00340	1.8
66.43858	0.8
66.73827	0.9
69.71272	5.8
75.93072	0.8
83.01379	1.0
107.01373	2.8
109.02926	2.8
113.40990	0.9
121.02951	1.8
121.47755	1.0
124.01609	1.3
125.02429	1.0
135.04530	2.2
137.02403	1.6
151.00392	12.4
161.02484	1.7
163.00356	1.8
164.01141	2.1
178.99852	7.8
211.04153	1.0
214.02754	5.5
215.65633	0.9
226.02878	1.3
227.03535	2.3
242.02092	3.0
243.02983	7.7
254.02197	1.3
255.02977	13.3
256.03210	1.1
259.02512	4.6
270.01706	3.7
271.02475	51.6
272.02969	2.9
287.01987	14.9
288.02664	2.4
299.01956	1.7
300.02771	45.3
301.03488	22.1
302.04047	1.2
316.02240	56.8
317.02957	9.7
327.07904	0.8
463.08835	4.0
625.14087	100.0
626.14490	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	625.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	3.8
59.13411	0.7
61.64950	0.7
61.98832	1.9
63.02404	0.8
65.00330	2.6
65.54884	0.6
69.43053	6.0
71.01384	2.0
73.02942	1.1
83.01387	1.6
85.02934	0.8
96.96031	0.8
98.20645	1.2
107.01391	4.4
108.02202	1.4
109.02961	2.3
113.02465	1.1
114.62749	0.7
116.92838	0.8
119.05051	1.7
121.02970	4.4
125.02480	1.1
127.30982	0.6
132.56558	0.6
133.02933	4.0
135.00923	1.0
135.04532	2.9
145.02946	1.9
148.01668	1.6
149.02461	1.2
151.00372	15.9
159.04449	1.2
161.02478	8.1
163.00391	3.2
163.04037	1.3
164.01251	1.1
169.01440	1.1
175.04073	0.9
178.99861	8.7
179.03499	1.8
199.04112	1.2
201.05450	0.9
203.03424	0.9
207.76009	0.7
211.04025	1.1
215.03493	0.9
226.02695	1.0
227.03519	3.7
228.04272	0.9
229.05048	0.8
243.02979	8.5
244.03687	0.7
245.04530	1.7
254.02191	1.3
255.03008	24.0
256.03491	1.4
269.00992	3.0
271.02478	47.3
272.02988	4.9
282.01746	0.9
283.02536	3.9
285.03918	1.3
299.01904	2.5
300.02765	100.0
301.03485	56.3
302.03922	3.1
323.07712	1.2
341.03287	1.2
343.12674	0.8
345.04239	1.0
363.05139	1.3
373.03693	1.6
391.04483	0.9
403.04483	0.9
418.03119	0.9
419.04028	9.3
420.04486	1.0
430.85471	0.8
433.05710	1.0
434.06671	0.9
463.08838	93.5
464.09171	8.6
478.05515	3.2
479.06113	5.6
565.09943	1.2
625.12006	61.1
625.28125	1.5
626.12299	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	625.12
Annotation	Quercetin 3-(6''-caffeylgalactoside)
Peak:m/z	Relative Intensity
63.02407	0.8
65.00325	2.1
71.01407	0.5
83.01402	1.1
107.01395	3.7
108.02181	1.1
109.02940	2.1
121.02949	2.4
133.02972	3.9
135.00900	0.9
135.04526	2.7
139.03963	0.4
148.01677	1.4
149.02472	0.6
151.00378	16.0
152.00783	0.6
159.04453	0.5
161.02472	8.7
163.00380	2.3
163.03975	0.4
164.01161	1.2
169.01349	0.6
177.05426	0.4
178.99876	7.3
179.03476	1.6
183.04564	0.4
187.04019	0.6
188.04697	0.4
190.99905	0.6
192.00658	0.9
199.03979	0.8
201.05611	0.5
203.03584	0.8
208.01814	0.4
211.03963	1.4
216.04228	0.5
226.02739	1.5
227.03441	2.2
229.05101	0.7
229.68149	0.4
239.03380	0.5
243.03003	9.0
244.03665	0.4
245.04460	1.4
254.02177	2.3
255.03001	24.9
256.03366	1.8
271.02484	48.8
272.02966	5.4
273.04028	1.8
283.02505	1.8
284.87479	0.4
299.01935	1.7
300.02759	100.0
301.03491	56.8
302.03888	4.1
323.07663	1.5
402.03897	0.4
463.08820	77.6
464.09085	7.5
565.10089	1.2
625.11993	53.8
626.12280	8.2
626.22516	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91800	0.4
59.01386	3.3
61.98829	1.3
63.96238	0.7
69.03462	0.6
71.01389	6.0
73.02941	1.7
75.00890	0.6
78.95901	0.6
78.98592	4.0
79.63226	0.4
79.95743	23.5
80.96522	54.7
81.03462	0.6
84.43697	0.4
85.02969	3.2
87.00878	1.9
94.94038	0.4
94.98089	11.1
94.98663	0.8
95.01384	0.4
96.96009	2.1
97.02400	0.4
97.02963	1.5
98.19836	0.9
99.00909	0.5
101.02443	2.6
102.34343	0.5
106.98109	2.0
113.02403	0.5
115.92074	0.6
116.92892	0.9
119.04966	0.5
122.97575	3.1
125.02467	2.6
134.97624	4.2
136.99149	1.7
148.99156	4.2
152.98651	4.3
153.10118	0.4
164.98628	8.5
167.00055	0.4
171.10202	0.4
172.53299	0.5
179.00157	0.8
195.10416	0.5
197.01219	0.6
206.99678	2.4
207.10275	0.4
209.11893	0.9
225.00749	13.9
231.11835	0.4
241.00185	0.6
243.01805	1.5
315.03976	0.7
319.40366	0.4
361.10904	0.7
456.95322	0.4
623.31036	100.0
624.31335	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	623.3109
Annotation	Dauricine
Peak:m/z	Relative Intensity
53.09623	0.4
59.01382	2.7
61.98837	0.8
63.96217	1.0
65.94429	0.4
69.03463	0.6
71.01389	5.9
72.39726	0.4
73.02933	1.0
75.00882	0.6
78.38777	0.4
78.98593	4.6
79.95746	23.0
80.96522	50.0
81.03432	0.7
81.16685	0.4
81.96453	0.4
85.02966	1.9
87.00882	1.7
94.98093	9.9
95.01366	0.4
96.95985	1.3
97.02954	1.1
101.02471	2.2
106.98093	1.7
111.94713	0.5
113.02444	0.9
122.97588	2.8
125.02451	2.4
127.38100	0.4
134.97597	3.5
136.99153	1.3
148.99156	4.5
152.98639	4.2
164.98637	8.5
179.00119	0.7
182.99768	0.6
197.01199	0.7
199.20918	0.4
206.99655	2.5
211.94952	0.4
215.07848	0.4
225.00740	12.7
241.00415	0.5
243.01765	1.7
269.03836	0.5
315.03931	0.8
364.10263	0.5
461.28717	0.6
503.17117	0.6
526.21808	0.5
623.31079	100.0
624.31354	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	623.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.2
59.01385	1.9
64.81571	0.2
65.00317	0.2
68.80025	0.2
69.03452	0.7
71.01385	1.2
71.61861	0.2
72.99292	0.3
73.02934	0.9
75.00873	1.6
77.03966	0.2
80.02683	0.4
81.03462	1.2
81.41896	0.2
83.01379	0.9
85.02942	0.7
87.00861	0.7
87.04517	0.2
89.02431	0.4
93.03466	5.4
94.03731	0.2
95.01377	0.2
95.05044	2.0
97.02955	10.9
98.03741	0.3
99.00869	0.3
101.02438	0.9
105.03426	0.4
107.05029	0.6
108.02183	0.5
109.02956	2.3
111.00852	0.3
111.04507	0.3
113.02433	0.3
115.04010	0.4
117.03474	0.6
119.05041	2.2
121.02946	2.5
122.03738	0.3
123.04532	2.4
124.01653	0.4
125.02445	1.3
127.64674	0.2
129.33623	0.2
131.03488	0.5
132.02214	0.2
133.02950	2.6
134.03711	0.8
135.04539	2.9
135.38663	0.2
135.39661	0.2
137.02458	4.0
138.03238	1.5
139.04016	2.7
143.03491	0.7
143.05013	0.9
145.02962	1.1
145.06580	0.6
146.03690	0.3
147.04498	0.9
148.01671	1.4
149.02473	2.9
151.03999	0.4
157.06583	0.6
159.04530	0.7
161.02448	3.2
161.06073	0.9
162.03209	0.5
163.04008	0.6
163.06108	0.6
164.01164	0.8
165.01982	1.5
166.02698	1.1
167.03537	0.3
167.04977	0.4
169.06599	4.9
171.04550	2.7
172.05266	0.6
172.70836	0.2
173.05986	0.3
175.04033	0.5
177.01959	0.4
177.05611	0.3
179.03500	1.0
181.06526	0.3
182.07310	0.2
183.08170	1.1
185.02354	0.4
185.06070	2.6
186.06865	1.0
187.04045	0.5
187.07655	4.1
189.05589	3.5
191.03534	0.4
196.05338	0.3
199.07562	0.3
201.05557	0.4
203.03459	0.3
205.07109	0.5
205.08713	2.0
209.06010	0.8
209.46205	0.2
210.06796	0.4
211.07652	6.6
212.07950	0.4
213.05602	1.6
214.06210	0.3
215.03481	0.3
227.07143	1.3
229.08678	3.0
231.06628	0.8
232.03871	0.3
237.05721	0.5
240.06657	0.4
253.05101	0.3
255.06635	100.0
256.06979	6.8
267.06558	0.6
273.07687	21.6
274.08127	1.4
279.02902	0.6
279.06219	0.3
293.08145	0.4
295.06088	0.3
297.07721	1.7
297.15036	0.2
339.08603	0.4
373.10410	0.2
385.13229	0.3
459.12222	0.4
461.14743	0.6
477.13739	0.4
487.14764	0.5
503.10043	0.3
539.11816	0.2
563.17767	1.0
579.10651	0.2
581.18738	2.2
582.19153	0.4
623.19965	8.0
624.20361	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.1
61.98826	0.8
62.10812	0.4
62.96418	0.3
71.61945	0.3
71.62326	0.4
72.54469	0.3
78.84901	0.3
78.95908	100.0
96.96967	5.6
116.85015	0.3
128.51292	0.3
137.25487	0.3
138.56038	0.4
152.99585	0.6
163.07782	0.3
171.00652	71.9
172.01001	1.0
560.88446	0.4
623.32080	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
62.01020	0.7
70.95554	1.1
78.02621	0.6
83.66982	0.6
103.15590	0.6
108.02158	1.1
109.02960	100.0
110.03313	2.5
113.72522	0.6
114.73713	0.6
118.99867	1.7
149.06116	2.1
161.02454	5.2
179.03543	1.0
191.03497	2.3
193.05057	10.7
206.43216	0.6
212.05081	0.6
212.63336	0.7
237.04030	3.2
281.03049	5.0
287.43201	0.6
297.66391	0.7
347.04144	0.7
385.83868	0.7
385.88876	0.6
394.37006	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53657	0.3
59.01374	0.9
61.98824	1.2
62.82949	0.2
69.55756	0.3
69.94656	1.5
71.01359	0.5
71.05016	0.5
75.40583	0.2
78.95907	100.0
79.95757	0.4
80.96530	3.1
81.27714	0.2
85.02936	0.3
94.98074	0.6
96.96966	6.1
98.19922	0.3
100.66061	0.3
115.07664	0.6
122.06085	0.4
125.02513	0.4
127.11263	0.3
152.99576	0.8
164.06409	0.3
167.14389	1.2
169.12355	4.7
171.00645	68.3
172.00969	0.9
188.57468	0.3
211.13396	1.9
217.01193	0.3
225.00706	0.5
229.14423	4.4
236.16611	0.4
241.18114	1.6
280.15521	1.3
283.19122	5.0
346.38684	0.3
450.28497	0.8
622.29761	5.2
622.39453	0.4
623.30396	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.314
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.0
58.00585	1.5
58.06244	1.3
59.01384	47.9
60.66668	1.2
61.98837	46.3
66.68005	1.4
69.45642	9.2
71.01393	17.4
72.99326	3.3
73.02966	6.8
75.00864	3.0
79.92747	1.2
79.95744	9.5
80.96526	19.3
83.01363	2.0
85.02969	7.2
87.00876	4.6
87.04513	2.5
89.02452	19.8
94.98106	2.6
97.03053	1.6
99.00877	2.0
101.02452	27.7
103.04015	5.6
113.02452	3.3
116.92889	1.3
119.03524	12.6
125.02476	1.9
131.03520	3.3
139.04089	1.3
143.03500	7.6
145.05051	4.0
145.34364	1.3
161.02559	1.8
161.06010	2.4
163.06139	13.6
164.98669	1.6
205.07198	8.4
225.00748	3.3
231.03217	1.4
237.18367	1.7
247.08237	4.6
249.18663	1.9
253.18098	100.0
254.18341	4.3
267.19617	18.2
295.19116	14.6
313.24118	1.5
337.20114	4.8
339.21661	2.3
351.62793	1.8
399.23947	1.6
441.24713	3.3
465.41440	1.4
483.25717	1.7
554.03809	1.6
621.29370	35.7
622.29803	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	621.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.0
58.00601	2.4
59.01386	16.6
61.98824	2.9
62.86817	0.9
64.15047	0.9
65.07090	0.9
69.03481	1.3
69.64021	1.5
69.64429	5.1
71.01387	9.8
72.99311	1.6
73.02953	4.1
75.00875	2.6
83.01398	1.0
85.02960	2.6
87.00874	2.1
87.04514	1.1
89.02458	9.5
97.02956	2.0
99.00946	1.4
101.02447	8.3
113.02435	4.9
119.03491	2.8
123.08200	1.8
125.02438	2.1
125.09747	8.5
127.11309	2.3
129.06659	1.0
135.03038	1.2
137.09737	1.4
143.03508	1.6
153.09221	1.4
153.69981	0.9
155.10809	3.6
161.04596	2.2
164.04231	0.9
166.36798	0.9
167.76906	1.0
171.10239	7.8
179.05589	1.2
195.13934	4.0
201.11328	35.6
201.13205	1.8
201.15025	1.4
202.11661	2.4
205.12338	4.0
223.13416	28.6
224.13736	1.8
235.08205	2.0
253.09216	2.0
355.24792	4.0
373.25977	100.0
374.26321	9.5
381.22797	3.8
397.13467	15.4
399.23935	2.7
415.14487	8.5
415.27072	2.3
459.29730	1.6
577.32458	1.2
603.33990	2.6
621.26123	1.6
621.35803	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.1
61.98835	19.7
63.96236	1.0
70.19417	1.5
71.01385	6.5
72.99317	0.4
73.02966	1.8
75.00880	1.2
78.95908	2.0
78.98591	4.6
79.95743	25.8
80.96523	53.0
81.03458	0.7
83.01415	0.6
85.02945	2.7
86.23376	0.4
87.00878	2.1
89.02451	1.4
89.58716	0.4
94.98088	11.1
96.96011	1.4
97.02969	1.0
99.00908	0.7
101.02453	2.6
101.05227	0.4
106.98084	2.5
111.78034	0.4
113.02481	0.7
122.97596	2.6
125.02428	3.1
134.97583	4.0
136.99144	1.6
138.50549	0.4
146.35938	0.4
148.99164	4.5
152.98628	4.2
161.04498	0.5
163.38266	0.4
164.98645	9.0
170.00333	0.4
171.00648	1.5
179.00165	0.7
182.99693	0.7
206.99741	2.7
225.00752	12.3
226.01038	0.6
243.01765	1.2
273.61600	0.4
315.03867	1.0
351.53299	0.4
409.49747	0.3
447.20392	0.7
458.35800	0.6
459.97610	0.4
513.82043	0.5
577.34003	0.5
621.29462	100.0
622.29840	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	621.295
Annotation	Cycleanine
Peak:m/z	Relative Intensity
55.12729	0.4
59.01377	5.7
60.92541	0.4
61.98836	4.3
63.64682	0.4
63.96241	0.8
65.75817	0.4
70.19064	1.7
71.01384	6.7
72.60711	0.4
72.99280	0.4
73.02953	2.4
75.00874	1.0
78.95909	1.6
78.98591	4.0
79.63675	0.4
79.95740	25.1
80.96519	55.8
83.01364	0.8
85.02948	2.6
87.00880	2.7
88.98830	0.6
89.02449	1.2
94.98087	12.5
95.01409	0.4
96.96014	2.8
97.02940	1.2
99.00879	0.7
101.02436	3.0
106.79198	0.4
106.98083	2.5
113.02466	0.7
116.92902	0.5
122.97610	2.8
125.02438	2.7
131.12900	0.5
134.97595	4.3
136.99129	1.9
148.99146	4.0
152.98634	5.3
164.98627	9.1
167.00131	0.5
179.00125	0.5
182.99731	0.6
206.99756	2.4
224.98602	0.8
225.00740	12.5
241.00305	0.6
242.50089	0.4
243.01775	1.8
315.03903	0.7
456.68323	0.5
577.36359	0.5
621.29456	100.0
622.29852	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	65.0
69.88591	6.9
69.89007	4.3
71.01391	25.3
72.99339	2.0
73.02955	16.2
75.00862	4.9
83.01407	4.8
85.02950	8.7
86.99609	2.0
89.02435	19.4
95.01421	3.0
99.00883	5.6
101.02443	16.3
109.02939	2.5
110.06132	7.1
110.76969	2.1
113.02476	19.8
119.03500	10.6
122.06109	4.1
124.07687	4.0
125.02453	2.7
129.05495	2.8
133.02995	2.8
135.04529	9.2
136.07693	4.2
136.17844	2.0
144.33202	2.0
147.03345	2.9
147.04510	3.1
148.04057	11.6
149.04701	3.7
150.05637	11.6
151.00377	3.8
160.04047	5.8
161.02466	4.6
161.04689	8.9
173.03540	3.5
173.04799	2.6
173.06087	6.2
174.04234	5.1
174.05644	9.9
175.05161	2.3
179.05585	5.7
189.06732	3.8
191.08275	2.3
194.59569	2.0
199.07555	2.3
201.09254	5.4
202.08775	4.9
214.08734	3.7
233.09271	4.4
242.08246	13.1
243.08905	5.1
244.09801	17.2
303.13498	4.0
328.13077	4.8
341.08743	3.2
367.16483	2.7
371.67786	2.3
386.17163	6.9
397.17676	100.0
398.17795	12.5
440.18268	5.9
441.16724	3.3
457.66519	2.5
458.19217	18.0
459.19702	3.6
479.15338	2.4
485.95721	2.4
491.19376	4.6
517.26544	26.2
518.26758	4.6
535.27570	15.3
536.27875	2.3
577.28607	5.7
603.24524	5.5
621.17023	3.3
621.26111	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	621.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84064	0.4
57.03440	1.6
58.00593	1.1
59.01383	32.2
61.98813	0.7
66.14222	0.4
69.03439	4.0
70.38412	0.5
70.38764	1.5
71.01387	22.4
71.05006	0.8
72.01714	0.5
72.99303	1.6
73.02943	4.1
75.00866	0.6
81.03455	1.2
83.01395	2.3
83.05030	0.6
85.02950	5.3
85.06592	0.6
87.00873	4.8
89.02448	25.5
91.04044	0.4
95.01385	1.3
97.02969	2.7
98.19931	0.4
99.00893	1.4
99.04538	0.4
101.02453	18.0
102.02816	0.5
105.00092	0.4
111.04529	0.5
113.02454	8.7
115.04030	0.4
119.03506	7.4
124.01762	0.5
125.02466	7.6
125.09715	0.8
131.03467	1.0
133.05060	0.7
139.04005	0.6
141.01918	0.7
143.03525	3.9
149.04530	0.7
149.09743	0.5
161.04556	4.6
161.13379	0.5
167.03525	0.6
167.10796	5.0
176.65567	0.5
177.12827	0.5
179.05632	5.2
179.10786	1.4
179.14391	4.2
179.67860	0.4
181.03043	0.4
181.05066	0.5
181.34474	0.5
185.04518	0.6
195.13911	12.0
196.14285	0.6
201.11293	1.9
205.12343	9.8
207.84995	0.4
221.06677	1.6
223.13402	100.0
224.13737	5.2
231.90236	0.4
235.08231	6.9
245.06708	0.4
253.09273	1.6
263.07669	0.8
287.07684	1.6
305.08817	1.4
313.09875	0.5
319.40280	0.4
323.09842	1.2
361.11673	0.4
373.26093	1.0
397.13519	56.2
398.13962	3.7
415.14584	29.2
416.14841	2.4
577.32556	1.1
621.27484	7.3
622.27997	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00586	0.9
59.01383	7.8
60.43719	1.0
62.19720	0.8
65.96225	1.0
69.70355	1.1
71.01396	1.5
71.61271	1.6
74.50150	1.0
75.00877	4.1
82.02981	1.9
90.09413	1.1
98.13996	0.9
109.02932	1.5
110.06125	4.4
120.04546	2.0
121.06611	1.5
122.06142	3.6
124.07661	3.0
129.05544	1.6
132.04524	1.3
135.04536	1.8
136.07697	4.1
141.17967	0.9
145.02916	1.4
147.03247	1.7
147.04431	1.0
148.04073	10.5
149.04791	3.4
150.05621	14.9
151.06209	1.1
154.05179	1.3
154.08736	1.8
160.04016	3.1
160.07561	1.1
160.97214	1.0
161.04854	4.3
162.05641	1.6
164.10413	1.0
172.05305	2.2
173.03542	2.2
173.04785	2.4
173.06093	5.9
174.04291	4.5
174.05609	10.9
175.05109	3.2
176.05875	1.3
176.07271	1.8
187.06343	1.3
189.06688	2.6
190.07472	3.5
191.08246	3.8
196.25447	1.1
199.07739	5.0
200.07146	2.9
201.07671	1.8
201.09480	5.0
202.08766	6.5
213.09180	1.8
214.08679	1.7
215.08214	1.2
215.10730	1.5
216.10277	1.6
219.11452	1.1
226.08775	2.5
227.07132	2.6
228.06758	1.9
229.07425	1.5
232.08450	3.2
233.09283	4.4
242.08252	9.8
243.09084	7.6
244.09859	17.4
245.09726	1.3
256.09793	2.7
268.20627	1.1
279.02969	1.3
287.10199	1.5
303.13364	5.5
328.12970	4.5
328.16580	1.4
349.15598	1.3
355.16895	1.2
356.16309	1.2
367.16562	3.0
369.14215	1.0
386.17218	12.1
397.17691	100.0
398.17911	13.0
440.18228	5.3
441.16846	4.6
458.13266	1.9
458.19351	28.2
459.19794	2.1
491.19446	3.9
531.68054	1.1
549.23541	1.4
558.42432	1.4
603.24615	4.7
621.25830	18.0
622.25964	3.3
636.32214	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	10.7
61.98827	4.1
67.04765	1.0
71.01381	4.6
75.00881	10.4
79.95708	1.6
81.03470	1.6
82.03001	8.8
83.00111	1.2
83.05060	1.2
84.63992	1.2
89.02448	2.0
96.04594	1.6
96.96018	44.7
98.79256	1.4
99.00874	1.8
99.04497	1.6
101.02460	2.0
108.04581	1.9
109.02950	3.8
110.06147	7.2
113.02438	1.6
119.05026	1.6
120.04545	2.3
121.02956	2.4
121.06615	1.5
122.06123	7.0
123.04490	1.5
124.07672	5.6
127.58038	1.2
129.05615	2.3
134.06126	1.6
135.04504	3.3
136.07678	2.9
145.02945	1.7
147.03326	1.8
147.04521	1.6
147.05661	1.3
148.04059	27.2
148.07700	1.3
149.04851	8.3
150.05617	48.1
154.05128	2.7
154.08766	1.5
160.04045	2.8
161.02380	2.9
161.04820	5.7
162.05574	4.8
164.03494	2.1
172.05293	3.7
173.03560	8.5
173.04814	2.3
173.06091	5.0
173.09764	2.1
174.04333	16.8
174.05635	7.6
175.05130	10.5
179.08267	1.8
186.05487	2.1
187.06400	3.3
189.06696	5.4
190.07390	7.6
191.03496	2.1
191.08228	9.6
199.07661	3.7
200.07069	2.5
201.07664	1.8
201.09413	5.8
202.07208	1.2
202.08789	9.7
203.08255	2.8
211.13445	1.5
214.08829	2.4
215.08101	1.6
216.06743	1.7
216.10394	1.7
218.08127	1.6
218.64488	1.2
219.03011	2.1
219.11310	1.7
226.08832	2.1
227.07098	2.1
228.06697	1.7
231.07774	4.0
232.08409	9.0
233.09303	15.0
239.03497	2.5
239.05766	1.4
241.09818	2.1
242.08334	8.0
243.08824	5.8
243.11230	2.3
244.09976	14.9
245.09248	7.6
253.05086	2.5
263.10297	2.4
273.12494	5.7
279.02966	3.4
280.03384	2.5
281.04163	4.5
285.04156	2.0
287.10483	2.2
288.08560	1.3
303.13483	15.2
305.11383	4.8
322.52121	1.1
328.13010	13.7
329.11258	1.9
344.16129	5.0
355.16580	2.4
356.16220	2.5
357.14630	3.4
367.16724	2.3
386.17221	37.0
387.17282	4.2
397.17706	69.0
398.17569	14.7
416.18127	2.6
422.16992	1.3
440.18222	14.6
441.16711	11.0
448.18939	1.2
457.08554	1.8
458.19351	100.0
459.19650	10.4
476.86560	1.3
484.27756	1.3
491.19336	5.0
549.23547	5.5
577.26312	2.5
579.24524	2.1
603.24658	5.9
621.15289	2.7
621.25665	43.5
622.25891	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	621.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01157	0.6
58.85817	0.5
63.02409	0.8
68.99816	3.5
69.63940	3.3
71.01389	2.3
75.00880	6.8
91.05536	1.3
93.03481	1.5
95.01427	0.7
95.05029	0.8
99.00888	40.5
100.01305	0.6
101.02512	0.6
103.05520	2.8
105.03470	3.4
107.05051	1.7
109.02952	2.0
119.05058	4.7
121.02962	1.5
123.04495	1.0
129.03485	2.0
133.02965	15.9
134.03764	3.9
135.04538	100.0
136.04869	3.4
137.02498	0.7
143.05040	0.9
144.94653	0.6
145.02946	1.5
147.04550	11.7
148.05275	0.8
149.02519	1.1
157.53798	0.5
161.02469	10.9
163.04008	6.9
169.06561	0.8
177.01964	2.5
179.03485	3.2
185.06052	0.8
187.04079	0.7
191.03535	8.4
192.03654	0.5
195.04704	0.5
213.05664	1.1
215.03458	0.6
217.04965	0.7
219.02966	1.9
231.73221	0.6
235.02472	5.1
237.04042	5.0
241.05083	3.1
242.05836	0.6
251.07144	1.1
255.06555	1.7
267.06723	0.6
269.08395	0.7
271.06430	0.6
285.04105	6.7
295.05902	3.1
297.09995	1.1
299.05588	5.6
339.05127	1.1
341.08807	12.5
342.09268	0.7
343.04626	9.8
355.34290	0.6
501.10852	0.8
505.10083	2.2
539.38019	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.8
63.02392	0.7
66.42202	0.4
68.99821	4.1
69.40579	3.8
71.01384	1.8
75.00872	6.3
91.05537	1.1
93.03484	1.2
95.05048	0.9
96.96012	3.9
98.20662	0.9
99.00886	36.8
100.01215	0.9
101.02469	0.7
101.03955	0.5
103.05522	3.7
105.03470	2.7
107.05033	1.8
109.02948	2.6
111.00860	0.5
117.03468	0.8
119.05030	6.1
121.02960	1.5
123.04505	1.0
125.02481	0.4
129.03484	1.2
133.02959	15.4
134.03778	4.2
135.04530	100.0
136.04855	4.1
145.02956	1.4
147.04530	13.3
148.05278	1.2
149.02455	0.8
151.04004	0.7
159.04564	1.2
161.02452	11.1
163.03998	6.4
173.02400	1.2
174.03201	0.4
175.03938	0.5
177.01978	2.9
177.05594	0.7
179.03506	3.2
185.02448	1.0
185.06119	0.5
187.03986	0.7
191.03505	8.2
193.05057	1.1
198.09081	0.6
209.37007	0.5
213.05667	0.6
215.03601	0.5
219.02924	1.0
227.03561	0.5
227.07130	1.4
229.01428	0.8
235.02443	4.5
237.04005	4.0
240.68945	0.5
241.05060	1.6
251.07359	0.6
253.05148	0.7
255.06648	0.8
267.06812	1.1
269.08200	1.4
274.06668	0.4
277.05069	1.0
285.04047	2.3
293.04688	0.6
295.05969	2.9
297.09766	0.9
299.05637	5.0
300.65875	0.5
313.07401	0.5
327.08524	0.4
339.05151	1.7
341.08789	11.1
342.09244	1.0
343.04547	3.5
344.05054	0.6
371.08356	0.5
394.61667	0.4
404.08136	0.4
413.10190	1.0
416.09872	1.5
432.08160	0.5
457.11267	1.2
474.87631	0.4
501.10294	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86074	1.0
58.00581	1.2
59.01388	34.1
60.01740	1.1
61.98830	6.7
69.03446	1.1
71.01387	13.9
71.05020	1.1
71.62412	1.6
72.99306	2.5
73.02962	8.4
75.00880	4.1
83.01406	3.3
85.02964	4.4
87.00885	3.4
87.04511	2.8
87.38889	1.0
89.02435	7.8
95.01410	1.5
96.96012	2.4
101.02445	11.1
103.04044	2.5
109.02986	1.1
112.01690	1.2
113.02486	5.1
119.03535	2.1
119.05032	1.4
122.06129	1.9
123.08104	1.3
125.09756	1.5
131.03481	2.3
143.03464	2.6
145.03014	1.7
159.41994	1.0
161.04680	4.0
162.05688	1.6
163.06207	5.7
167.05742	1.1
169.12390	1.3
171.10257	3.7
193.12283	1.6
197.11856	7.3
201.11365	2.2
205.07190	3.2
216.29460	1.1
227.12944	1.7
247.04665	1.1
247.07965	1.5
251.16504	4.0
252.09012	1.5
253.09215	2.3
267.11423	1.9
269.17587	100.0
270.17941	4.9
283.19196	6.6
285.03845	1.7
299.14014	2.1
300.02600	1.2
311.18658	9.3
329.23389	1.5
341.23483	3.1
353.23352	3.5
371.24411	44.0
372.24698	3.2
457.24551	4.0
527.25922	1.3
571.25525	1.7
575.30908	5.9
619.29004	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	619.289
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17303	1.3
59.01393	7.1
61.98840	2.2
63.18760	1.5
70.29987	1.6
75.00867	4.0
78.95909	76.0
80.91702	2.3
86.64311	1.6
96.96967	11.7
98.20259	8.5
105.01941	27.6
152.99593	100.0
171.00685	4.0
194.35381	1.5
205.19545	2.4
223.00110	9.2
230.70172	1.5
241.01186	23.6
242.87428	1.6
259.02197	2.5
259.24365	2.5
283.29205	1.6
290.48257	1.9
303.23331	33.6
304.23523	1.6
315.04861	21.3
333.05872	3.3
352.91049	1.6
533.21838	1.9
619.28857	89.6
620.29633	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2891
Annotation	CHEMBL3745966
Peak:m/z	Relative Intensity
51.58471	0.9
59.01393	4.2
71.51672	1.2
76.43952	0.8
78.95907	68.0
93.01721	0.8
96.96973	12.2
109.44005	1.0
123.46232	0.8
152.99596	100.0
171.00645	2.8
223.00148	9.2
241.01202	28.1
242.01520	0.9
259.02185	1.3
259.24231	3.7
303.23288	34.4
304.23572	2.9
315.01184	1.0
315.04886	19.7
333.05981	2.9
434.99100	1.0
524.84674	0.9
619.28925	92.4
620.29456	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	619.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91640	2.5
58.00594	8.6
59.01384	100.0
61.98827	20.4
71.01390	39.7
71.61898	4.8
72.99314	7.2
73.02940	20.8
75.00888	5.8
83.01392	5.9
85.02955	16.6
87.00872	10.8
87.04524	2.6
89.02449	38.8
96.65524	2.7
96.96004	12.6
99.00893	4.0
99.04543	2.9
99.08141	8.1
101.02451	41.3
103.04010	20.1
113.02442	10.8
115.04018	3.1
119.03522	21.4
125.09728	6.0
131.03493	9.7
143.03519	12.2
145.05058	7.9
150.05597	2.6
163.06133	83.6
164.03490	3.6
205.07166	14.3
207.17542	18.7
222.35320	2.7
233.15652	2.7
247.08214	53.6
247.16948	5.2
251.16541	47.6
275.16537	12.2
275.55045	2.9
293.17618	19.2
307.10410	6.2
327.25415	5.2
335.19733	3.0
353.23413	3.3
371.24377	11.2
383.17740	2.7
383.22260	3.4
396.15295	2.9
397.13907	3.4
397.22495	4.3
401.23389	3.5
439.23642	3.6
455.20209	6.0
456.20978	5.8
508.26999	2.9
525.62830	3.0
577.34723	3.1
584.21039	2.9
619.31134	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2562
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
51.98733	1.9
57.01616	1.7
61.98815	3.5
70.03590	5.9
70.04019	3.5
78.95912	1.8
98.19969	2.3
141.97928	1.9
152.99664	3.5
161.60840	2.0
168.56264	1.7
171.15492	1.7
410.51077	2.1
415.15781	2.6
416.16656	9.7
444.15543	2.2
459.18259	100.0
460.18533	12.5
473.19684	11.5
474.20377	6.1
501.19681	2.2
503.17090	5.2
517.18903	2.2
518.19617	48.2
519.19794	6.5
532.21100	8.2
533.21954	92.3
534.22150	9.8
571.99359	1.9
587.23022	5.2
619.25610	66.1
619.35803	3.8
620.25812	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	619.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.0
57.03444	3.7
58.00586	1.8
59.01384	100.0
60.01707	1.8
61.98834	23.6
69.03465	2.5
69.44257	5.6
69.44682	9.3
71.01384	41.7
72.99315	4.6
73.02953	11.6
75.00879	4.0
83.01383	8.2
83.05014	3.6
85.02964	22.3
87.00874	5.7
89.02450	20.5
91.03992	2.6
95.01389	5.6
96.96019	6.0
97.02959	6.1
99.00887	6.6
101.02446	30.5
109.02965	3.0
111.00902	2.8
113.02463	31.8
113.37408	1.7
119.03494	5.3
121.06639	1.8
123.08169	10.0
125.02477	9.5
127.04041	2.4
137.02406	2.8
143.03532	7.3
161.02469	1.9
161.04544	11.0
163.06142	2.2
167.07127	3.5
171.10272	1.7
173.11829	2.4
174.04367	1.8
215.05742	2.8
232.08492	2.1
235.08266	1.9
243.15031	1.7
253.09291	12.4
279.03107	1.7
315.18326	2.1
353.23465	3.1
371.24301	7.8
396.15622	3.2
397.13959	3.3
415.30917	2.7
429.21237	11.8
447.22452	20.5
448.22571	2.0
455.20285	3.5
456.20276	3.1
457.27866	2.5
471.22302	9.0
472.23175	2.1
489.23123	9.3
559.34924	22.7
577.36047	37.1
604.82086	2.0
619.27032	5.1
620.27411	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	619.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.0
57.03444	3.7
58.00586	1.8
59.01384	100.0
60.01707	1.8
61.98834	23.6
69.03465	2.5
69.44257	5.6
69.44682	9.3
71.01384	41.7
72.99315	4.6
73.02953	11.6
75.00879	4.0
83.01383	8.2
83.05014	3.6
85.02964	22.3
87.00874	5.7
89.02450	20.5
91.03992	2.6
95.01389	5.6
96.96019	6.0
97.02959	6.1
99.00887	6.6
101.02446	30.5
109.02965	3.0
111.00902	2.8
113.02463	31.8
113.37408	1.7
119.03494	5.3
121.06639	1.8
123.08169	10.0
125.02477	9.5
127.04041	2.4
137.02406	2.8
143.03532	7.3
161.02469	1.9
161.04544	11.0
163.06142	2.2
167.07127	3.5
171.10272	1.7
173.11829	2.4
174.04367	1.8
215.05742	2.8
232.08492	2.1
235.08266	1.9
243.15031	1.7
253.09291	12.4
279.03107	1.7
315.18326	2.1
353.23465	3.1
371.24301	7.8
396.15622	3.2
397.13959	3.3
415.30917	2.7
429.21237	11.8
447.22452	20.5
448.22571	2.0
455.20285	3.5
456.20276	3.1
457.27866	2.5
471.22302	9.0
472.23175	2.1
489.23123	9.3
559.34924	22.7
577.36047	37.1
604.82086	2.0
619.27032	5.1
620.27411	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	619.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03188	1.1
57.03452	16.0
59.01382	8.8
61.98818	2.9
71.01379	2.4
71.19081	2.1
71.64598	1.2
73.02939	1.1
75.51907	1.1
78.95903	2.5
79.60848	1.1
81.03452	9.6
83.01391	4.9
101.02491	1.5
113.02436	1.3
125.02454	100.0
126.02763	2.7
161.02425	3.8
167.03593	1.2
171.00563	1.6
171.04539	2.6
173.02461	1.4
174.03185	3.5
175.04004	19.6
185.06044	1.9
196.05241	2.0
197.06020	1.4
198.03183	3.5
199.03989	14.4
200.04364	1.2
201.01924	3.2
204.17101	1.1
211.04066	2.5
212.04878	2.1
213.05516	2.5
217.05052	14.8
218.05348	1.3
225.05563	1.1
240.04251	2.6
241.05058	19.8
243.03001	3.7
276.83237	1.2
279.65784	1.2
279.91995	1.1
285.04071	10.3
289.17957	1.5
405.20786	6.8
407.18610	5.7
421.20370	1.5
423.18088	1.2
425.19812	2.0
433.45682	1.1
449.19785	14.1
450.19928	2.5
465.19104	1.6
491.20724	2.4
493.18680	79.3
494.19064	11.7
533.21606	1.5
559.19922	1.4
601.20612	2.9
619.21710	4.2
619.30853	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.0733
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40876	1.0
54.86163	1.0
59.01382	3.9
60.79783	0.9
61.98828	3.0
69.70464	5.3
71.01384	1.9
72.99315	3.3
73.14316	1.0
75.00883	13.7
77.75279	1.1
93.03441	1.3
94.35783	1.0
101.02454	1.6
102.08395	1.0
104.65193	0.9
109.02974	7.4
118.99866	3.2
119.05038	3.3
120.55420	0.9
145.02945	4.0
147.04492	2.0
148.04045	1.7
149.02446	1.3
151.00432	1.9
161.02434	4.9
161.04788	2.5
163.04137	1.5
169.06563	1.3
173.02454	2.6
174.03137	2.6
175.03976	7.8
195.04584	3.6
197.06067	1.3
199.04172	1.1
207.04524	1.3
213.05586	5.2
221.04388	1.1
223.03986	4.4
224.04675	3.0
225.05548	1.9
233.06010	1.2
237.05736	1.8
239.03345	1.4
241.05057	1.6
244.09827	1.4
246.41127	1.5
250.02545	1.9
251.03494	11.9
252.04344	6.1
253.05095	6.1
261.05588	2.5
269.04556	3.6
277.05075	2.7
279.03009	100.0
280.03595	16.3
281.04550	9.8
289.04993	3.2
291.02975	1.2
291.06702	2.5
292.03946	1.7
293.04559	4.6
293.07678	1.3
300.02774	1.3
301.05103	1.1
305.04544	2.2
317.04538	4.8
319.06180	7.1
333.04007	1.5
345.03964	11.7
346.04465	1.8
395.16122	2.5
409.07068	1.6
411.08771	3.4
412.18924	1.5
413.06393	2.7
427.08163	4.6
429.09671	6.0
437.06592	8.9
455.07748	54.8
456.08304	5.8
473.08807	10.2
531.09546	6.1
561.08429	1.6
575.25201	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	618.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.5
61.98836	100.0
71.01395	1.2
71.61877	0.5
73.02957	0.7
80.96539	1.3
84.41569	0.5
85.03004	0.8
94.98154	0.5
100.12420	0.5
101.02459	1.0
101.76101	0.5
113.02421	0.8
242.37785	0.6
339.23532	1.2
365.21115	1.2
383.22394	3.1
401.22998	3.7
618.27112	1.6
619.31439	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	618.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.3
57.03440	1.5
58.00606	6.8
58.32986	0.6
59.01382	100.0
60.59164	0.5
61.98820	0.7
64.62325	0.5
67.94250	0.6
69.64747	0.6
70.02975	1.1
71.01385	71.3
72.99299	7.7
73.02959	2.0
75.00884	1.0
77.26009	0.6
78.95900	0.8
83.01381	4.0
83.05022	2.0
84.02172	0.7
85.02958	13.8
85.06601	2.2
86.02505	0.8
87.00874	4.1
88.04048	1.9
89.02447	93.1
90.02762	1.0
91.03414	0.6
93.73668	0.6
95.01392	4.1
95.05019	0.7
96.96007	1.1
98.02477	1.4
98.19818	1.1
99.00909	0.9
101.02447	50.3
102.02802	1.2
108.08189	4.1
109.06608	0.6
113.02455	28.2
115.07695	1.5
119.03506	50.9
120.03831	0.8
124.07700	1.4
125.02445	1.4
126.09255	7.2
131.03505	5.2
136.07747	0.9
138.09258	3.0
143.03493	7.0
149.04556	4.5
150.77853	0.6
154.08765	1.7
156.10294	2.3
161.04546	8.2
166.08730	2.6
173.92905	0.6
179.05618	18.0
179.07164	1.0
184.09766	1.7
185.54391	0.7
251.23959	0.7
253.25380	17.2
254.25632	1.0
255.23277	0.6
281.24808	3.9
283.26166	0.8
298.27527	1.7
299.25946	8.0
324.29044	5.3
340.28372	1.7
352.28577	1.5
353.29211	1.0
408.34781	2.2
420.34839	5.2
438.35880	57.2
439.36371	6.4
456.30649	1.1
456.36954	22.4
457.37213	3.2
593.75604	0.7
618.42188	71.2
619.42664	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	618.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.2
61.98837	0.8
69.47437	5.5
69.47818	1.1
71.01389	0.8
75.00903	1.0
75.30035	0.7
85.02968	1.3
104.05072	1.8
106.06632	100.0
107.06998	3.6
108.08215	1.1
109.02895	0.9
118.06618	1.0
119.05019	0.9
145.03023	1.1
146.06177	1.4
150.05611	84.4
151.05934	3.0
161.02449	0.8
161.04736	2.0
164.07213	6.8
167.86281	0.7
183.02730	0.7
192.06683	2.7
194.04572	4.9
210.39763	0.7
220.72321	0.7
236.05670	2.2
244.09714	2.8
255.03044	1.4
279.02866	0.8
305.04590	1.5
306.04749	1.9
326.12390	1.3
344.03033	0.9
370.11432	68.9
371.11740	3.8
398.10782	1.0
412.12415	5.8
413.12854	1.0
522.97687	0.8
542.02753	0.8
574.17859	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	617.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20948	0.9
59.01389	10.4
61.98832	2.0
64.70659	1.0
70.34487	1.0
71.01384	3.5
71.61555	1.2
71.61968	1.3
73.02958	1.3
74.69361	1.0
75.00875	1.2
82.02985	6.0
83.55577	1.0
85.03004	1.3
89.02480	2.2
96.96056	1.0
101.02456	3.3
107.97507	1.1
108.04551	1.5
113.02461	1.0
119.05081	1.1
120.04541	3.0
122.06147	1.5
134.74438	1.1
136.07697	3.1
139.04036	1.6
147.03279	2.3
148.04053	20.1
148.83409	1.0
149.04855	9.7
150.05624	25.2
150.09273	4.5
154.05101	2.4
160.04073	2.2
160.11212	1.0
161.04826	7.6
162.05615	3.1
163.02776	3.4
164.03543	6.6
164.07150	1.2
173.03571	8.0
173.04875	1.8
174.04347	26.9
174.05635	2.5
175.05084	8.2
175.06354	4.8
186.05614	1.8
187.06401	2.8
187.61748	1.1
188.07141	2.1
189.06700	15.1
190.05029	1.9
190.05521	1.7
190.07477	29.8
191.05824	1.5
191.08145	3.0
200.07150	4.0
200.10760	1.5
201.07913	5.0
202.07387	3.5
202.08775	3.8
203.08322	1.9
213.04532	1.0
213.06656	1.5
213.10303	1.8
214.11052	2.4
215.08284	2.8
217.07404	3.6
217.09764	3.0
223.06281	1.1
225.07845	1.0
227.09442	1.4
228.06691	2.4
231.07727	15.0
232.08521	38.5
233.09085	6.0
241.09845	2.9
242.08249	3.6
242.10544	1.3
243.07625	2.2
244.08270	11.6
245.06963	1.8
245.09323	4.1
253.09129	1.8
255.07745	1.1
257.09155	1.4
259.10892	1.4
262.09598	3.0
267.07700	1.1
285.08838	2.9
286.07080	1.2
286.09647	8.9
289.09436	3.4
293.13791	1.1
297.47601	1.1
299.13977	10.5
303.09952	2.2
304.10571	4.0
324.13605	6.9
325.12003	1.8
337.10626	1.5
353.15088	1.5
369.22897	1.5
382.17755	32.5
383.18039	3.9
393.18054	2.2
394.17743	6.6
395.15875	1.6
406.17609	1.7
412.18768	4.4
418.17661	2.4
436.18774	20.8
436.24588	1.6
437.17197	7.9
438.17200	1.1
449.15823	2.8
450.16867	1.2
454.19861	100.0
455.19998	9.6
467.11658	0.9
467.17059	8.0
545.24072	3.4
557.33331	2.8
568.99884	1.4
575.25726	1.7
575.34540	1.5
599.25250	6.4
617.25977	25.0
618.26526	3.5
625.78815	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07228	1.6
59.01385	25.9
61.98827	3.4
69.47993	9.7
69.48421	4.9
71.01391	15.6
72.99296	2.3
73.02952	4.1
75.00883	3.0
85.02954	2.9
89.02464	8.8
101.02462	8.6
102.33768	1.5
107.42284	1.6
113.02488	4.2
117.03510	1.8
119.03515	5.1
119.05032	4.9
121.05354	2.2
131.03473	1.6
134.06120	5.9
136.07684	30.0
136.08641	2.9
138.09270	3.2
143.03473	1.6
145.02957	6.9
146.03311	3.2
151.00410	2.5
157.07735	1.7
162.05647	8.0
163.06152	7.8
173.10826	6.9
179.05499	1.9
185.10832	5.8
189.37733	1.6
197.10886	15.9
199.08763	15.9
205.07162	1.6
213.06799	2.2
213.13965	22.9
215.08241	5.7
223.08751	1.7
237.10368	3.4
238.11024	3.7
239.11905	100.0
240.12238	6.2
255.03043	2.2
267.11548	2.7
267.16061	8.3
268.08508	2.8
269.10223	1.5
271.02542	5.4
293.20258	1.8
300.02649	7.1
301.03601	8.0
308.17615	26.4
309.17834	2.8
318.12366	4.1
319.17947	2.4
320.17957	4.4
332.14200	1.7
333.14786	7.0
336.20929	10.4
337.20990	1.7
344.17426	2.1
345.15012	2.3
360.17142	10.1
362.18744	88.4
363.19305	9.0
376.10342	2.5
376.16412	2.8
377.10446	2.8
378.18427	2.6
380.19803	53.3
380.24741	2.6
381.20145	6.1
392.19806	7.1
406.17709	41.0
407.17981	4.5
410.20862	11.9
424.18799	67.3
425.19354	7.7
436.18759	11.0
451.66153	1.6
454.19958	10.8
463.08804	3.5
497.16190	3.1
522.42340	1.6
543.25989	14.9
573.27173	3.7
587.25214	26.6
588.24933	4.6
617.26086	19.7
618.26141	3.8
618.35175	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	617.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.7
57.03432	3.1
57.74157	1.2
58.00573	2.0
59.01382	100.0
61.98821	4.6
69.03432	1.7
69.82426	6.9
71.01388	45.4
72.01728	1.3
72.99290	3.9
73.02955	12.4
75.00872	4.3
78.77594	1.2
82.02989	3.0
83.01395	6.7
85.02953	14.3
87.00895	6.1
89.02452	32.5
91.04009	18.6
95.01366	4.0
95.04994	1.2
96.95990	3.4
97.02871	1.3
98.19838	1.3
99.00859	3.0
101.02459	28.6
111.04456	1.3
113.02457	28.3
119.03516	10.5
119.05003	4.2
124.01720	1.1
125.02445	3.3
131.03516	2.0
136.07697	6.7
138.09254	4.9
139.04039	6.3
143.03479	4.7
145.02953	4.2
148.04031	13.5
149.04749	4.7
150.05620	16.1
150.09265	4.1
154.05121	1.9
160.04076	1.8
161.04585	18.2
162.05620	2.5
163.06178	2.3
164.03505	3.5
164.07140	1.9
171.10297	7.3
173.03520	4.8
174.04338	13.5
175.05069	5.3
175.06395	1.7
176.05956	2.0
179.05595	8.8
187.06329	1.9
189.06671	6.1
190.07465	15.2
191.08185	1.5
197.10806	2.9
199.08820	3.6
201.07997	3.5
202.07413	1.9
209.11809	3.3
213.13927	6.1
215.08153	1.4
217.07465	1.4
221.15526	3.1
229.13400	1.6
231.07744	7.5
232.08513	23.9
233.09207	3.9
235.08141	2.8
237.10262	2.1
239.11900	18.6
240.12222	1.4
242.08351	1.7
242.10637	1.4
243.07442	1.6
244.08560	5.7
245.09161	1.8
247.08173	1.9
253.09320	8.2
267.11346	1.5
285.08841	2.1
286.09698	3.1
289.09677	1.4
299.14017	6.9
301.11938	2.8
303.09808	1.6
304.10825	2.2
308.17654	7.8
313.20291	3.1
319.17477	1.8
320.17792	2.4
321.24542	2.0
324.13651	2.9
333.14667	2.3
336.20697	2.3
345.14880	2.5
360.17242	14.1
362.18707	21.7
378.18088	4.3
380.19794	12.5
381.20450	1.7
382.17722	16.1
387.01828	1.4
394.17810	4.4
395.27847	2.5
404.16199	1.6
406.17868	7.9
407.24362	1.7
410.20840	3.2
412.18665	2.3
413.29007	5.7
424.18793	17.3
432.15823	3.8
436.18695	11.7
437.17307	3.0
454.19858	58.1
455.20157	5.4
467.16885	3.8
499.29114	9.1
511.25888	1.7
539.32355	1.8
543.26141	12.7
544.26294	1.7
545.23981	2.0
555.26556	1.8
557.33295	34.1
558.33551	2.5
573.27063	2.5
575.34210	30.1
576.34802	1.8
587.25195	14.1
588.24939	2.5
599.24878	6.4
617.26001	24.2
617.35168	1.7
618.26886	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	61.5
61.98831	5.2
63.69492	2.4
66.05707	2.4
71.01379	11.1
75.00864	2.8
77.54398	2.6
80.24886	2.4
81.03448	4.3
81.45882	2.5
83.05018	7.8
85.02968	4.6
89.02452	4.0
97.02869	3.0
101.02449	7.9
105.21297	2.9
113.02460	5.2
113.76917	2.7
116.19964	2.7
120.37740	2.6
127.71618	2.8
135.04536	6.3
136.07713	6.7
144.30188	2.7
145.07632	3.3
153.85701	2.6
159.04433	3.0
162.05501	3.2
184.09935	4.8
185.10818	2.9
226.10959	4.3
228.09149	3.3
253.09332	5.1
295.19165	4.4
304.14517	3.0
305.15167	3.2
306.16077	7.8
318.16074	19.6
334.19516	2.9
348.17273	11.4
349.17911	4.8
360.17307	6.9
378.18204	15.0
420.19324	9.2
429.22983	3.9
441.22821	20.3
442.23492	4.2
471.23648	12.0
483.24088	48.6
484.24197	4.1
501.25134	23.6
543.26105	100.0
544.26068	11.0
573.27136	10.6
575.34808	5.5
587.24915	7.4
617.30219	4.1
617.46381	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31890	1.2
59.01382	19.0
61.98827	4.1
62.27857	1.4
71.01378	7.2
71.61704	1.4
73.02939	3.5
73.42994	1.2
75.00883	6.0
83.05058	1.3
85.02952	2.5
87.00894	2.1
87.04534	1.7
88.85597	1.4
89.02438	6.9
96.95998	1.6
98.85670	1.3
99.92564	2.7
101.02438	8.7
109.02964	2.1
113.02462	4.2
116.92849	2.5
117.03477	1.5
119.03509	2.7
119.05019	4.7
121.05316	2.3
122.06172	1.8
125.87323	1.5
128.98793	1.2
134.06134	5.6
136.06714	2.0
136.07692	26.2
136.87099	1.2
138.09244	2.0
145.02937	7.0
146.03352	3.0
151.00345	3.0
161.02464	2.4
162.05649	7.9
163.06117	3.5
173.10835	5.2
174.11256	1.4
175.43152	1.2
178.99760	1.4
185.10896	6.2
197.10840	13.4
199.08781	14.6
200.09143	1.3
207.16968	1.3
212.13228	1.5
213.13977	23.2
213.71140	1.4
214.14355	1.5
221.04518	3.2
223.08701	1.5
225.10225	2.3
237.10388	3.1
238.10905	2.0
239.11902	100.0
240.12219	4.4
252.11380	2.7
255.02878	3.6
257.12790	1.4
267.15991	5.4
271.02429	4.2
276.45825	1.1
279.13684	1.9
285.04108	1.4
291.13696	2.2
293.20221	2.1
300.02722	3.8
301.03467	6.1
307.16748	2.0
308.17673	25.1
309.17792	1.9
311.49194	1.4
318.12299	2.4
319.18008	2.4
320.17664	4.8
332.14005	2.6
333.14914	6.2
336.20694	8.6
337.21048	1.3
347.16513	1.9
360.17239	8.5
362.18738	91.1
363.19247	7.4
376.16562	3.6
378.17917	2.8
379.35739	1.2
380.19833	54.9
381.20135	4.5
392.19913	8.9
395.10010	1.3
406.17703	35.9
407.17816	3.5
410.20914	12.1
424.18820	69.0
425.19110	6.0
436.18716	9.9
438.28558	2.2
450.16882	2.0
454.19833	11.3
455.20654	1.4
494.19278	3.0
495.26468	1.4
529.53979	1.4
543.26056	14.0
544.26318	2.7
573.27216	4.7
587.25098	29.6
588.25269	4.8
599.25323	2.6
617.25647	15.8
618.26093	3.0
618.35242	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	617.209
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82011	6.2
56.55257	5.6
59.01390	100.0
63.14371	5.4
69.32859	16.1
69.33279	38.4
71.01405	38.8
71.01743	7.8
72.99320	7.0
73.02964	38.9
75.00884	14.3
83.01405	12.6
85.02966	22.1
87.00911	17.2
89.02464	32.2
96.96045	28.1
101.02448	57.9
103.04017	19.1
107.01401	11.2
113.02461	13.4
115.04025	13.4
119.03504	13.8
131.03510	16.2
135.11795	11.6
143.03526	18.4
145.02921	11.8
145.05074	6.8
151.00395	23.4
161.04570	8.5
161.09804	14.2
163.00342	6.2
163.06113	48.9
178.99825	6.1
179.10773	83.3
199.03920	7.4
205.07153	33.2
221.11757	9.0
243.02924	8.5
247.08202	22.1
255.02942	22.3
267.15808	7.7
271.02509	52.9
285.04221	8.9
299.01904	20.1
300.02786	72.1
301.03445	62.4
302.03568	7.4
367.17740	8.8
411.16611	10.2
419.15491	7.4
463.08585	10.6
573.21625	11.3
617.11328	13.2
617.62238	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.7
56.67283	2.1
57.03443	3.5
58.00605	4.0
59.01385	100.0
61.98838	3.2
69.03441	6.1
71.01389	39.1
71.37693	2.8
72.99305	7.4
73.02955	43.7
73.30193	2.2
75.00872	10.5
81.03454	2.2
83.01394	7.8
85.02957	17.9
86.00111	3.3
86.92598	1.8
87.00871	24.4
87.04534	13.6
89.02454	20.2
93.03481	2.9
97.02975	2.6
99.00891	2.4
101.02459	47.5
103.04040	16.4
106.04263	10.3
107.05028	3.6
111.04471	2.3
113.02478	12.0
115.04012	9.9
119.03494	8.3
119.05040	3.5
125.02418	3.3
127.04005	3.0
131.03531	25.8
135.11815	4.6
138.03238	4.5
143.03529	21.4
145.02969	4.5
145.05098	7.5
146.03258	3.6
151.00380	2.5
161.02460	3.0
161.04602	3.3
161.09732	23.0
163.04105	4.5
163.06142	55.1
179.10797	63.2
180.11079	3.2
203.05597	2.3
203.10887	4.0
205.07155	39.6
205.08742	8.2
211.04089	2.2
222.53188	2.0
223.09784	13.6
237.47942	2.7
247.08167	16.3
265.09094	4.8
271.02344	5.3
285.04196	3.4
300.02756	7.1
301.03516	4.8
369.15457	4.6
411.16626	10.8
463.09082	2.0
515.17426	3.4
573.21924	39.7
574.21838	4.1
618.35175	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	617.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	6.0
57.03438	2.7
58.00597	5.2
59.01382	100.0
69.03444	2.3
71.01387	36.8
71.61349	2.8
72.99308	6.8
73.02957	48.3
75.00875	6.7
81.03448	1.8
83.01395	8.2
83.65500	1.9
85.02953	21.5
86.00119	6.0
87.00890	20.4
87.04526	33.4
89.02449	23.5
91.12438	2.4
97.02984	3.4
99.00869	3.0
99.04487	2.9
101.02443	48.5
103.04023	21.2
107.01424	2.0
109.02962	4.8
113.02459	11.5
115.04021	11.2
119.03504	8.8
119.05042	4.9
125.02483	3.7
131.03529	24.0
135.11823	5.4
137.00171	1.8
143.02525	3.1
143.03520	26.0
145.02974	4.8
145.05045	10.9
151.00389	4.7
161.09744	11.7
163.06139	68.6
178.99780	3.4
179.10782	47.1
203.05643	4.7
205.07159	36.2
205.08864	2.7
223.09731	9.0
227.03532	3.0
227.07187	2.9
247.08206	28.8
255.02957	4.6
265.08987	2.7
267.16028	70.1
268.16296	4.5
271.02463	7.1
281.09262	1.9
284.03317	3.2
285.03900	4.1
289.09351	4.5
299.02026	3.7
300.02762	7.6
301.03604	13.7
302.03751	1.9
309.17062	16.3
323.74365	2.0
333.20068	2.2
335.30981	1.8
369.22833	3.2
411.16476	15.0
455.23392	5.0
531.20801	2.7
573.21918	84.2
574.22278	9.5
617.12164	3.3
617.25488	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.2
61.26215	0.5
61.98835	100.0
69.34829	5.1
71.03476	0.5
72.96144	0.5
73.08794	0.5
98.20271	2.7
118.95938	0.5
125.05454	0.6
151.99536	0.5
226.09363	0.6
232.27765	0.7
235.69418	0.6
511.36462	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
69.60613	1.7
69.61037	1.7
70.57951	0.5
78.95951	0.8
83.74957	0.5
84.67279	0.5
98.19932	1.1
179.10764	0.7
194.00551	0.5
197.11896	1.8
255.23183	2.6
452.65094	0.6
544.12555	0.5
553.37390	5.5
554.37988	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60140	2.4
59.01382	8.2
69.35817	12.6
69.36246	12.9
71.01395	7.7
75.00891	5.3
79.33060	2.8
81.26656	2.5
83.01397	9.8
87.00888	12.2
94.71162	3.6
96.96014	6.1
99.00907	5.3
109.02951	10.9
111.00872	17.9
113.02416	4.7
113.99586	3.4
115.00388	27.7
125.02448	4.7
133.03020	3.5
135.04515	8.7
139.00389	16.5
147.04562	4.4
149.02449	5.5
156.00670	14.9
157.01431	25.0
159.04428	2.6
159.77768	2.7
161.02464	5.8
163.04085	7.0
174.01701	11.6
174.03139	4.3
175.02516	28.6
175.03947	6.1
177.01961	9.3
177.05493	4.7
190.02768	6.2
191.03511	10.5
193.05086	26.9
205.01483	5.0
206.02171	7.3
207.06615	11.8
209.04558	6.1
223.06206	4.6
229.04918	3.3
231.06686	5.1
233.04578	14.1
234.05356	13.0
251.05624	4.3
275.05521	4.3
279.05161	3.6
279.08578	3.5
289.07190	9.6
291.05206	6.4
307.08249	100.0
307.11777	6.1
307.56586	2.9
308.08575	7.5
351.07141	5.2
397.11505	4.0
455.11929	3.0
469.68799	2.6
484.26840	2.8
489.22379	3.2
495.11954	3.0
511.14633	9.6
513.12494	8.4
555.13519	8.6
585.75824	2.7
603.32953	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	615.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21922	0.5
60.17342	0.5
60.51215	0.5
70.13506	1.1
70.13905	1.1
72.99316	13.3
75.00881	0.8
91.05551	0.6
96.95988	1.5
98.19973	0.6
100.22122	0.5
101.03968	0.6
109.02930	0.8
119.05035	5.1
121.02953	1.0
135.04526	3.1
142.86507	0.5
147.04541	16.8
148.04884	0.9
156.82402	0.5
161.02444	1.6
162.51146	0.6
163.04018	2.2
172.52699	0.6
177.05621	1.1
185.37415	0.6
191.03519	46.3
192.03847	2.5
209.04568	100.0
210.04898	5.5
211.05225	1.0
230.25464	0.6
267.79578	0.5
279.03052	0.6
295.06149	0.5
306.56799	0.5
405.17062	0.6
615.21613	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40477	0.4
52.93375	0.5
57.03451	0.6
57.26858	0.4
59.01383	14.7
61.98836	100.0
69.46774	3.9
71.01389	6.2
72.99345	0.8
73.02956	1.7
73.84267	0.5
75.00876	2.0
78.95911	1.0
82.02979	0.8
83.01414	1.4
85.02957	2.8
87.00868	1.0
89.02453	3.6
95.01399	1.3
95.05052	0.6
96.96032	0.6
97.02995	0.5
101.02446	5.0
107.01408	0.7
109.02213	0.6
109.02956	12.2
111.00866	0.5
113.02468	3.9
119.03518	1.9
119.05038	1.2
121.02987	0.4
123.00896	1.0
124.01678	0.6
125.02457	1.1
135.00943	1.1
135.04533	0.6
136.07664	0.6
139.04022	0.9
143.03572	0.9
145.03008	2.5
146.06190	0.5
147.03354	0.5
148.04065	1.5
149.04797	0.9
150.05611	2.2
152.01151	1.6
153.01952	23.3
154.02327	0.8
159.04466	0.4
161.02487	0.8
161.04591	2.3
163.03983	0.9
163.06154	1.3
164.03616	1.0
169.15572	0.5
171.10242	0.9
173.03557	1.0
174.04341	2.1
175.05125	0.6
175.06447	0.7
189.06700	1.0
190.07452	3.0
195.02945	2.5
201.07890	0.7
225.75731	0.5
229.06139	0.8
231.07747	1.4
232.08496	4.2
235.08284	1.0
237.03938	0.6
239.11917	2.0
244.08386	1.2
247.08261	1.3
249.14951	0.7
253.09315	3.2
254.09560	0.5
255.05122	4.9
285.09003	0.7
291.16000	0.7
297.06064	0.9
299.14023	1.3
360.17258	0.7
362.18747	2.1
380.19873	1.4
382.17740	2.5
394.17529	0.7
406.17609	1.0
424.18564	1.1
436.18665	1.7
437.17282	0.6
454.19870	8.7
553.26556	69.6
554.26935	8.0
557.33112	2.0
574.32434	1.0
575.34344	4.3
587.24396	0.6
617.26111	2.5
617.35510	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22583	0.8
61.98829	1.2
72.99310	13.3
75.00875	2.2
96.96009	1.3
109.02946	0.9
119.05050	5.7
121.02951	2.0
133.02997	1.1
135.04501	5.0
145.02985	1.8
147.04526	17.0
159.04570	1.1
159.08157	1.0
161.02425	3.6
163.04036	3.0
177.05611	6.2
187.14589	0.9
191.03514	49.3
192.03865	2.0
198.34538	0.9
209.04561	100.0
210.04881	3.3
213.56012	1.0
220.48111	0.8
237.04025	1.3
359.28601	0.9
418.93155	0.9
582.46326	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79930	1.6
52.04124	1.8
59.01375	9.1
70.95070	4.4
71.01395	3.9
75.00884	6.1
80.00896	2.1
83.01399	1.8
93.03464	21.9
96.96012	8.5
117.03467	5.9
119.05038	21.8
130.04344	1.7
130.58044	1.9
131.05048	6.9
133.06606	7.3
142.06618	4.3
145.02960	33.3
147.04546	13.6
149.06119	4.9
157.07768	2.1
158.03751	1.8
159.04498	6.0
163.04007	2.2
177.05582	100.0
178.05843	5.8
221.04550	8.2
229.06204	7.8
247.57758	1.9
253.09253	5.4
265.03595	5.2
274.95206	2.1
313.58289	2.0
349.11917	9.4
417.84116	1.8
495.15738	3.8
615.25427	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	615.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98813	4.1
66.59186	1.9
66.98734	2.1
68.46404	2.0
72.00891	3.0
73.54202	2.3
75.00883	31.3
93.03461	5.5
100.00417	10.8
100.85212	2.1
101.02462	3.5
110.02472	6.1
116.05059	11.5
117.03458	13.4
119.05035	40.8
124.04078	2.0
142.06631	22.2
145.02969	100.0
146.03317	4.4
149.04518	2.2
157.07748	5.1
159.09276	3.0
161.02396	2.1
163.04039	3.4
164.54500	2.1
173.06139	2.6
186.05629	11.0
203.08264	4.3
204.53105	2.4
210.06815	4.6
211.07614	21.8
214.05264	2.1
221.04535	21.5
223.07681	8.6
223.42447	2.7
229.06152	21.4
230.56288	3.5
283.07181	5.3
308.90085	2.3
322.10815	15.1
345.12497	8.1
349.11923	23.5
385.30405	2.7
451.16550	6.1
469.17722	2.5
485.69766	2.3
495.15649	47.8
496.15848	4.6
513.16650	3.8
579.30524	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	615.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	11.7
61.98839	3.3
67.89527	1.4
68.43610	1.4
69.74360	3.2
69.74767	7.4
71.01384	5.7
72.00911	5.2
72.99314	1.6
73.02966	3.7
74.02482	3.9
75.00876	31.6
78.85470	1.3
78.95900	2.1
80.40445	1.4
83.01418	1.7
85.02938	2.3
86.55235	1.3
89.02469	1.6
93.03455	8.3
96.96020	4.8
99.92603	1.6
100.00430	11.3
101.02451	3.8
109.01653	1.5
110.02483	2.1
113.02454	2.8
116.05061	16.9
117.03458	18.2
119.05035	42.0
121.02994	1.4
123.04566	2.0
123.13029	1.5
130.06638	4.0
135.04494	1.9
142.06633	26.7
143.05055	1.9
145.02962	100.0
146.03326	4.8
147.04529	3.9
157.07677	3.1
159.04527	3.4
159.09244	3.2
161.02408	2.5
163.03996	3.3
163.06126	5.1
173.06145	2.0
175.03967	3.3
176.07175	1.9
177.05557	1.5
183.05536	1.6
186.05598	10.0
203.08273	10.3
211.07600	5.3
214.05022	2.8
216.06740	3.2
221.04544	19.2
223.07677	14.9
229.06177	26.9
234.42746	1.6
237.09201	2.1
239.10718	1.8
239.88335	1.8
247.08163	3.6
258.09058	1.9
265.08685	3.0
265.14487	3.6
269.17587	3.3
278.08771	1.4
279.10114	2.2
279.15848	1.4
283.07385	2.5
285.04004	1.7
308.09247	4.8
322.10867	25.2
323.11166	1.9
349.11877	26.7
350.12265	2.2
451.16626	5.8
469.17691	4.0
495.15671	48.9
496.15921	3.3
513.16785	16.1
514.17175	1.9
571.16882	3.3
590.54401	1.5
615.26135	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	615.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99501	1.5
59.01381	5.4
69.70818	8.3
69.71231	2.8
72.00909	2.7
75.00882	25.6
77.45087	1.4
83.74963	1.4
93.03457	17.5
100.00420	9.3
101.02460	3.8
113.02490	1.7
115.63044	1.4
117.03469	19.6
119.05036	70.0
120.05357	2.2
142.06641	6.1
145.02968	100.0
146.03342	2.3
147.04489	2.1
154.06619	1.7
157.07707	3.8
161.02386	1.8
162.05603	2.8
167.06136	6.3
169.07704	10.2
186.05585	3.7
221.04562	12.3
229.06158	9.9
232.07678	6.7
233.08372	2.8
234.09200	18.1
235.09633	2.1
244.07599	5.2
246.09218	10.7
247.09499	1.5
248.10820	1.8
253.09317	2.9
259.77368	1.7
261.10300	3.5
262.08655	2.7
263.11893	2.1
274.08627	2.4
276.10263	10.2
285.03970	1.6
288.10312	10.2
289.09961	3.7
290.08270	5.1
303.11349	3.3
307.10928	2.3
331.10852	3.4
332.09128	4.3
349.11945	27.7
350.12305	3.4
355.06454	1.7
375.05545	1.0
375.09830	61.7
376.10312	8.4
409.15530	6.2
495.15683	68.1
496.15997	9.5
513.17102	3.7
571.17950	1.7
579.30389	7.8
615.10980	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	615.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	8.9
61.62247	1.9
61.98827	2.6
66.00463	2.0
69.20381	2.0
71.01395	3.6
72.00914	2.2
73.02963	2.1
75.00884	28.9
85.02937	2.1
93.03462	23.7
96.96046	2.4
100.00425	8.4
101.02457	3.0
102.96540	1.9
113.02473	3.7
113.94388	1.9
116.05074	5.3
117.03463	19.8
119.05035	65.4
126.99606	1.9
142.06674	6.6
145.02962	100.0
146.03299	2.6
148.47942	2.2
157.07732	4.3
159.04568	2.6
162.05649	3.8
163.03937	3.1
167.06149	4.1
169.07706	8.8
185.62088	1.9
186.05588	3.1
203.08353	4.0
211.07684	7.0
211.38213	1.7
221.04552	8.7
229.06154	8.0
232.07637	9.1
233.08447	5.7
234.09276	21.4
244.07622	5.9
245.08365	2.6
246.09244	9.8
248.10709	4.7
255.92998	2.0
261.10291	4.9
263.11920	3.0
265.14517	4.1
274.08820	5.9
276.10208	12.4
288.10278	10.6
289.09848	5.3
290.08258	4.9
307.10849	3.3
323.60214	2.6
331.10815	4.9
332.09317	5.2
349.12057	19.4
375.09842	73.3
376.10248	6.3
409.15604	6.3
451.16544	6.0
495.15634	75.2
496.15814	7.1
513.16638	8.6
571.17224	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	615.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92631	1.0
59.01381	19.6
61.98825	6.5
65.00333	2.6
69.42693	7.4
71.01392	11.1
72.00910	1.5
73.02953	4.2
75.00877	20.0
78.95896	2.3
83.01381	3.1
85.02963	2.6
87.00896	2.4
89.02473	2.4
93.03455	3.3
99.00893	2.0
100.00410	4.3
101.02433	6.0
102.27888	1.0
107.01386	4.4
109.02974	1.9
113.02432	4.7
116.05075	2.2
117.03493	6.7
119.05034	100.0
120.05367	2.5
123.04414	1.4
125.02447	2.7
133.02946	3.0
135.04500	3.0
142.06633	4.7
143.03506	2.2
145.02960	31.4
147.04543	1.2
148.05298	2.3
151.00377	22.6
161.02443	16.2
161.04561	2.4
161.06020	1.3
163.04048	1.1
165.01872	1.2
177.01848	2.2
185.05782	1.1
203.08305	1.0
211.04095	0.9
211.07593	1.0
221.04532	5.3
223.07646	2.9
229.06212	4.3
234.09312	1.6
237.04021	3.1
246.09402	1.9
250.15813	1.0
255.03043	1.7
271.06140	14.5
285.04025	1.4
295.06012	1.4
301.03467	1.8
322.11017	3.3
349.11844	6.3
364.40109	1.1
380.15039	1.0
393.11066	2.9
425.14410	6.2
443.15378	4.2
459.11267	3.0
485.16705	12.8
486.16699	1.6
495.15482	11.5
513.16754	5.5
527.17609	3.5
555.28625	2.0
571.17194	4.8
579.08154	2.4
579.17181	37.3
580.17566	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	614.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
69.90668	3.0
69.91074	7.5
73.87107	1.6
76.89024	1.6
106.80678	1.7
153.61549	2.2
168.31166	1.8
199.17018	11.3
209.15482	3.1
224.42760	2.0
233.15431	6.1
251.16495	5.1
295.15527	2.1
367.15320	1.7
369.19171	2.6
505.16409	1.9
551.35986	28.3
552.36157	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57055	0.8
59.01387	6.9
61.98828	1.3
65.67939	0.7
69.03463	1.4
70.90839	1.6
71.01369	4.4
73.02939	1.0
75.60248	0.6
78.77105	0.7
82.29984	0.7
85.02961	1.4
87.00883	0.9
87.99419	0.7
89.02453	3.0
90.72304	0.7
101.02460	3.4
109.06578	0.7
112.93627	0.7
113.02467	2.4
116.92860	0.7
119.03522	1.1
127.11290	0.9
131.03526	0.8
139.11320	1.7
142.90042	0.6
155.10802	3.1
161.04559	1.2
165.09222	1.4
167.14394	1.1
171.10289	49.3
172.10625	2.1
179.14476	0.8
183.10286	56.5
183.13811	7.4
184.10638	2.7
193.12350	1.6
195.13887	2.8
197.11841	1.3
205.12399	3.5
211.13412	100.0
212.13742	4.0
223.13403	32.0
224.13728	1.3
235.08325	3.7
253.09300	8.7
253.52859	0.8
285.64697	0.8
359.22272	0.9
364.89554	0.7
377.23047	1.2
390.23111	0.8
401.18127	0.9
447.22379	5.5
459.22336	2.6
595.30768	1.4
613.37646	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
60.81718	0.2
70.82255	0.7
73.02948	2.4
75.00859	0.3
78.95905	0.3
84.85519	0.3
98.20564	0.2
99.00864	0.3
99.92587	7.4
100.92641	0.3
116.92867	100.0
116.97234	1.3
117.01943	5.1
117.92873	4.0
129.52847	0.2
140.71858	0.3
162.53745	0.3
370.58691	0.2
381.83884	0.2
467.91122	0.2
534.15204	0.3
564.81140	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	8.8
57.31336	2.6
59.01384	21.8
59.73932	2.9
61.98840	2.7
68.07984	2.5
71.01384	8.7
72.23110	2.4
72.41573	3.1
85.02973	3.7
85.06580	2.8
89.02422	7.1
96.66595	2.7
101.02455	7.3
101.52406	2.5
107.08703	4.1
111.67280	3.0
112.84015	2.3
113.02471	5.4
113.09729	39.6
126.68234	2.7
139.11293	10.9
147.11809	5.9
161.04512	4.7
165.12827	3.4
171.10274	5.3
190.13568	2.6
203.10901	3.0
219.13933	3.6
223.13336	8.2
243.35194	2.7
253.09319	37.0
273.22263	14.6
317.21198	100.0
318.21463	7.4
321.93536	2.9
613.38293	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	611.4084
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36248	48.8
54.62421	39.3
70.91858	100.0
77.24830	42.1
87.13739	62.9
178.28633	50.0
217.92505	54.2
289.29196	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33722	0.8
50.92210	0.8
63.96210	1.0
66.26795	0.8
71.01391	5.3
71.31678	1.8
78.95919	1.1
78.98597	3.7
79.95737	8.6
80.96519	49.4
85.02939	1.9
87.00861	2.8
94.98096	10.4
96.96014	1.5
101.02438	1.2
106.98076	2.8
122.97568	2.3
125.02441	1.8
134.97595	3.5
148.99188	4.3
152.98634	5.5
164.98624	9.9
206.99701	1.5
216.71382	1.0
225.00728	13.2
273.82233	0.8
292.00607	0.9
315.03815	1.4
346.57358	1.0
402.37192	1.0
422.99146	0.9
459.72565	0.9
497.50333	1.0
611.34717	100.0
612.34979	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	611.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50534	0.5
53.23909	0.5
56.41873	0.5
59.01369	1.7
63.02400	0.8
68.30943	0.5
70.05804	2.2
75.00848	0.8
78.95898	2.2
83.01370	0.6
89.02415	0.7
93.03455	2.4
96.78383	0.6
101.02449	0.7
101.15928	0.5
107.01377	2.0
109.02953	1.2
117.03452	1.6
119.05018	1.7
121.02960	12.6
122.05425	0.5
132.02145	1.1
135.00862	1.4
135.04558	0.7
136.45906	0.5
137.02490	0.6
143.05013	0.9
145.02991	4.2
151.00371	2.6
153.71959	0.6
157.06506	0.6
159.04514	1.8
161.02460	0.7
163.00369	2.2
165.01830	0.6
169.06670	1.1
183.04501	1.3
185.06047	1.9
187.03978	2.8
189.05508	1.1
195.04478	0.8
197.06151	1.2
199.04004	1.1
201.05511	0.9
211.04109	2.6
213.05600	2.2
227.03520	30.7
228.03943	1.5
229.05048	11.1
239.03487	1.4
240.04414	0.9
241.05057	1.0
255.02995	51.5
256.03607	6.4
257.04599	7.9
258.04865	0.7
263.44043	0.6
267.02985	0.7
268.19662	0.6
283.02316	0.8
284.03275	55.2
285.04050	100.0
286.04416	6.7
300.02841	0.8
301.03336	0.8
302.03592	0.6
307.08347	1.5
327.05292	0.6
350.79559	0.5
431.17880	0.7
447.09317	7.4
448.09839	0.7
489.10394	23.4
490.10849	2.5
593.13055	35.4
594.13495	5.5
611.14227	16.6
611.27979	2.1
612.14539	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	611.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	2.6
61.98812	0.9
65.00327	0.4
71.01391	1.8
71.61954	0.6
72.99265	0.4
75.00871	2.0
78.95918	1.8
81.04630	0.4
85.02956	0.5
89.02484	0.6
93.03456	0.9
96.95999	1.0
99.92627	0.6
101.02454	0.8
109.02987	0.7
113.02456	1.8
119.05034	13.2
121.03011	0.5
133.02895	0.6
135.04517	1.5
145.02965	1.8
146.28854	0.4
151.00386	1.4
161.02466	1.0
163.04002	8.7
174.01649	0.5
187.33856	0.5
221.04643	0.8
225.10303	0.7
226.08873	1.2
226.11099	14.5
227.11359	0.9
228.10216	0.6
241.13469	100.0
242.13834	6.8
247.13503	0.5
253.13437	1.6
255.02953	0.7
255.15027	0.6
256.03354	0.6
269.12704	0.8
271.02524	0.8
272.02841	0.6
273.02878	0.7
281.12909	0.9
285.12451	81.2
286.12778	5.3
295.05966	0.5
299.14011	11.0
300.02731	1.5
300.14407	0.8
301.03207	2.1
302.03430	1.3
311.05606	0.6
327.13483	15.0
328.13971	1.3
365.87143	0.6
387.15753	1.8
447.17725	8.6
448.18027	0.8
449.08521	1.1
449.17236	4.9
540.71527	0.5
611.14056	4.3
611.23108	1.7
611.31122	0.6
612.13135	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22293	0.5
59.01368	1.1
65.00337	0.5
69.25493	1.0
69.25901	4.2
75.00862	0.6
78.95910	1.9
81.20759	0.5
83.01411	0.5
88.38517	0.4
89.02447	0.5
93.03452	1.7
101.02449	0.6
107.01386	2.0
108.02250	0.5
109.02924	0.6
116.44720	0.6
117.03445	1.3
119.05013	1.6
121.02970	11.0
131.98409	0.5
135.00856	2.1
141.07130	0.7
143.05016	0.8
145.02966	4.2
151.00400	3.2
157.06583	0.8
159.04549	1.1
163.00415	2.3
163.04019	1.1
164.01073	0.5
169.06531	0.8
171.04573	0.9
183.04503	1.1
185.06113	2.6
187.04030	3.6
189.05589	1.4
199.03880	0.8
201.05617	0.6
211.04047	2.7
213.05559	2.6
223.04008	0.5
227.03520	25.4
228.03880	1.9
229.05048	9.9
239.03535	1.9
240.04205	1.0
241.05067	1.5
255.02995	46.2
256.03595	6.2
257.04578	6.6
267.03119	0.8
271.02386	0.8
284.03275	53.3
285.04047	100.0
286.04373	6.8
307.08307	1.2
329.01828	0.6
447.09265	5.4
448.09998	0.7
489.10385	22.0
490.10641	2.7
517.09412	0.8
593.13049	31.0
594.13397	4.1
611.14063	14.2
611.29303	1.6
612.14423	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	609.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.7
59.01368	2.7
65.41929	1.1
66.88288	1.3
71.61289	1.4
77.97454	1.2
83.01381	2.2
123.54592	1.2
125.02472	1.5
173.61276	1.4
181.15973	18.4
195.17484	4.2
197.19109	52.2
197.72971	1.5
198.19420	3.5
203.18069	2.3
205.15933	8.7
221.19092	1.4
223.17006	24.2
225.14882	2.7
225.18541	1.8
226.43929	1.4
229.17967	1.9
237.18628	1.7
241.18022	4.2
243.19640	100.0
244.19968	4.5
247.17026	48.5
248.17296	2.8
261.18521	1.6
265.18063	25.9
266.18378	1.4
267.19638	16.3
271.02502	2.8
291.15982	3.0
300.02881	6.8
301.03366	2.7
309.17111	13.6
365.19659	49.5
366.20001	3.8
379.21304	1.8
383.20581	3.9
609.14514	5.2
609.40076	91.4
610.40417	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	611.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.0
65.00311	0.7
67.17690	0.6
69.79195	3.3
71.01391	0.7
75.00878	2.3
93.03474	2.3
101.02477	0.8
107.01367	1.6
109.02957	3.4
113.02448	0.7
117.03446	0.8
119.05012	3.9
120.05370	1.1
121.02953	2.4
125.02482	0.9
133.02954	0.8
135.04532	2.2
145.02963	2.0
145.86139	0.6
149.02408	0.9
151.00360	4.4
152.01057	1.6
159.04468	1.0
161.02429	1.6
163.00410	3.1
163.04010	2.3
164.04335	0.9
175.00391	0.9
177.01892	1.5
178.99869	2.6
185.06033	0.7
213.05518	1.2
221.04469	1.1
222.05022	1.1
225.05583	1.0
226.02647	0.9
227.03484	1.0
228.03947	0.8
229.05055	1.8
239.03487	0.8
241.05058	2.3
243.02945	1.8
253.05005	1.6
255.03026	5.0
255.06685	1.2
256.03415	2.1
257.04227	2.2
267.02988	1.8
268.03644	0.9
269.04514	4.5
270.01697	0.8
270.05157	1.1
271.02469	10.5
271.06009	1.7
271.09085	0.7
272.02805	2.6
273.03128	1.9
281.04572	2.5
283.02524	0.9
283.06256	1.3
284.03241	1.9
285.04065	8.5
286.04651	1.1
297.04044	3.8
299.02069	3.6
299.05341	1.0
300.02734	11.2
301.03360	15.2
302.03552	5.4
303.03989	1.8
310.04800	1.5
311.05496	3.0
313.03552	4.3
314.04355	4.3
326.04248	1.2
327.05237	3.3
346.03168	1.3
347.09332	1.1
348.06308	1.4
349.07028	1.3
353.02899	0.8
363.08569	2.2
375.08652	3.1
376.05640	0.9
377.06482	2.6
391.08197	11.6
392.08630	2.1
402.14825	0.7
405.05807	3.0
419.07822	3.2
420.08444	13.5
421.09247	14.3
422.09738	1.5
431.09579	0.9
447.09409	11.8
457.11499	3.5
464.07593	8.3
465.08353	10.9
466.08914	0.8
473.10745	1.9
567.15167	8.5
568.15271	1.8
611.14075	100.0
612.14355	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	609.292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49569	1.1
55.66252	0.9
57.03445	2.9
59.01383	24.4
59.04483	0.9
61.98833	36.9
65.03972	4.1
68.40818	0.9
69.03455	2.8
71.01391	18.8
71.62219	1.5
71.91484	1.0
72.99313	1.5
73.02962	3.9
75.00887	2.3
78.95913	0.9
79.95798	0.9
80.96533	2.2
81.03458	2.9
83.01417	2.4
83.05035	2.1
85.02964	8.1
87.00897	3.8
89.02436	7.4
91.05524	8.1
93.03479	2.8
95.01398	3.2
95.05022	1.4
96.96036	2.7
97.02938	1.1
97.06598	3.7
101.02454	13.7
107.01369	1.3
107.05037	5.2
109.06617	5.5
111.04507	6.5
113.02453	16.3
115.92070	1.5
116.92885	3.2
117.97581	1.3
119.03504	2.5
119.05019	3.1
121.06618	1.3
123.08173	3.4
125.02464	1.8
125.06122	1.3
125.09743	15.6
133.06645	1.4
135.04529	1.6
135.08173	1.7
140.64360	1.0
143.03564	1.7
145.05144	2.4
145.06456	1.4
147.08154	1.5
151.00359	2.5
151.07692	1.7
151.11252	1.0
159.11807	6.0
161.02475	2.9
161.04530	4.0
161.09726	2.1
163.07661	4.3
169.06569	1.2
175.07639	1.5
175.11285	1.1
179.05630	1.8
181.08676	2.6
185.09763	12.4
185.11656	7.9
187.07664	6.8
187.09744	1.8
188.33885	0.9
203.10829	5.1
209.11858	6.1
221.11798	1.6
223.13402	1.4
235.08273	3.8
235.13403	2.7
243.02995	3.7
247.13333	1.7
253.09337	1.9
255.03003	9.5
256.03308	1.4
261.14960	7.0
270.91510	1.1
271.02487	19.4
271.13492	1.0
272.02872	2.1
273.14886	1.1
285.03995	1.2
289.14377	2.2
300.02759	29.3
301.03418	10.5
302.03717	1.1
303.16095	1.2
311.20258	3.1
327.19592	1.3
329.21213	7.8
337.18304	2.4
345.20663	3.9
355.19180	15.2
356.19748	2.2
363.29141	1.5
373.20139	10.2
391.21277	4.8
396.15881	1.7
403.32028	4.2
425.24771	0.9
429.30164	4.1
435.88776	1.0
447.31241	5.1
473.87869	1.0
591.28125	100.0
592.28448	15.8
609.14496	30.7
609.29016	27.1
610.14771	4.5
610.29565	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	609.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04596	1.5
51.04837	1.9
59.01378	23.8
60.53563	1.5
61.98835	36.1
65.03966	3.1
69.03455	5.2
71.01394	12.3
71.61628	1.5
73.02948	3.4
75.00854	3.0
78.16129	1.6
83.01419	2.0
83.05016	2.4
85.02949	6.1
87.00891	3.4
89.02425	3.7
91.05545	1.7
93.03447	2.8
95.05016	6.6
96.95998	1.7
97.06575	9.5
98.81970	1.7
99.00871	1.6
101.02440	7.3
107.01424	2.6
107.04977	1.6
108.02189	1.9
108.55654	1.7
113.02446	7.1
115.92031	1.9
120.01172	1.7
123.08081	1.7
135.04468	2.0
135.08171	1.6
145.03015	2.1
149.06108	2.0
151.00356	4.3
157.08684	3.0
161.02461	3.2
161.04506	1.7
178.99883	3.0
181.08661	4.3
187.14938	3.7
191.10834	2.6
209.11852	9.2
213.12804	7.1
223.13460	4.1
231.13890	15.5
235.08208	4.0
241.44272	1.7
243.02936	5.1
243.89262	1.5
249.14958	4.2
253.09219	4.0
255.02979	14.1
259.37064	1.8
271.02478	29.6
272.03067	2.0
285.04050	1.7
300.02759	46.9
301.03455	15.7
327.19629	2.6
329.21173	3.3
329.24881	1.7
337.17999	3.2
345.21045	1.8
355.19040	9.5
373.20047	12.1
373.23865	1.7
391.21051	3.1
396.15057	1.5
445.20834	2.2
463.08707	2.5
591.28101	100.0
592.28363	14.5
609.14612	47.4
609.28632	22.9
610.15027	8.1
610.29785	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	609.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40916	2.4
61.98843	23.2
63.77359	2.4
65.25997	2.7
71.33035	4.0
71.33369	3.4
78.95908	6.5
81.22137	3.0
99.92580	15.1
116.92876	100.0
118.89987	5.8
131.49905	3.2
134.00552	2.6
138.58600	2.9
229.18115	7.9
243.03038	3.6
255.02882	3.7
271.02441	10.8
296.76691	2.8
300.02692	16.9
301.03461	10.4
428.02283	2.9
609.14758	21.5
609.40161	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03943	0.6
56.47626	0.5
61.98851	0.8
69.55796	2.3
69.56209	1.5
73.02934	0.6
74.81670	0.5
78.95898	0.9
88.79469	0.6
98.19856	1.1
106.06637	1.3
112.12753	0.6
112.74487	0.5
142.06485	0.5
177.48953	0.6
186.86443	0.9
255.02980	0.8
271.02567	0.9
300.02795	1.8
301.03613	1.2
312.44415	0.6
419.22549	0.8
431.22675	0.9
432.23172	26.4
432.29102	1.3
433.23535	3.1
446.20706	1.4
447.25562	100.0
448.25949	13.5
460.22717	1.0
461.22644	1.2
471.25647	1.0
473.23700	0.9
474.24283	21.6
475.24832	2.9
489.26627	42.5
490.26953	5.4
491.24506	4.6
492.25000	1.0
506.26608	1.0
521.29340	1.7
533.25623	19.8
534.25714	3.3
535.23285	6.1
550.25769	2.7
565.28253	21.0
566.28381	3.1
573.17200	0.8
609.14349	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61136	0.6
58.63438	0.6
59.01390	4.6
62.12607	0.6
63.02407	0.9
65.00333	2.1
70.62899	2.1
71.01386	3.0
72.99299	1.3
73.02935	1.2
75.00879	5.4
83.01386	1.7
85.02967	1.3
87.00842	0.7
89.02430	1.1
91.01862	0.9
93.03452	1.5
95.01382	1.4
96.96082	0.9
99.00880	0.7
101.02432	1.9
107.01384	3.5
108.02190	1.3
109.02959	19.0
111.00896	1.0
113.02467	2.1
118.99930	1.1
119.03458	0.6
119.05068	2.3
121.02976	4.2
121.03690	0.7
123.04566	0.7
124.01679	1.4
125.02463	2.9
132.04578	0.8
133.02962	1.4
133.06647	0.6
134.03731	0.7
135.00859	0.9
135.04515	7.3
137.02396	1.2
139.03955	0.8
142.50908	0.6
145.02959	3.7
147.04535	1.7
148.01675	1.6
149.02429	2.1
149.06065	3.7
151.00380	13.7
152.01117	2.2
153.01952	22.3
159.04539	2.1
161.02412	2.6
161.06100	1.2
162.03197	1.1
163.00351	2.6
163.04012	4.1
163.06024	0.6
164.04474	0.7
165.04262	0.7
165.05553	1.6
169.01453	1.1
171.04625	0.7
173.02339	0.9
174.03238	1.5
175.02667	0.6
175.03990	3.2
177.01956	3.3
177.05571	10.6
178.99854	5.2
179.03514	0.7
183.04578	0.9
185.02422	0.8
187.03979	1.2
188.04759	0.7
189.01862	1.0
189.05594	4.3
191.03526	3.5
195.02884	0.8
199.03999	1.4
201.01941	1.1
201.05569	1.4
203.03471	2.2
203.07309	0.7
207.06714	0.8
211.03937	1.2
213.05527	1.3
215.03557	0.9
215.06541	0.6
219.03076	1.6
221.04623	6.5
226.02730	0.9
227.03522	4.5
227.06982	0.9
228.07497	0.8
231.06631	3.5
233.04584	1.6
237.12755	0.6
241.05080	1.0
243.02982	10.0
245.04463	1.1
248.96635	0.6
249.07657	0.8
252.04501	0.6
253.05078	3.6
254.02116	1.6
255.02985	27.2
256.03537	3.1
257.04523	2.4
267.06665	0.9
269.01077	1.4
269.04614	2.4
271.02487	46.7
272.03058	4.4
273.03912	1.5
275.05670	0.7
279.02988	2.3
279.06519	1.1
280.03656	1.2
281.04327	1.0
283.02484	8.8
284.03183	2.7
285.04071	2.4
291.06512	0.7
293.04395	1.3
295.06104	1.7
297.06195	16.6
298.06696	0.9
299.01938	1.9
300.02771	64.7
301.03506	32.6
302.03943	1.9
311.07715	1.7
323.05783	1.1
335.05753	0.9
343.04492	1.0
343.08636	0.9
361.05853	0.7
361.10403	2.1
401.10471	1.0
403.02789	1.0
403.07834	0.8
406.49844	0.7
427.07996	1.3
445.09262	6.9
446.09247	1.0
447.09125	3.6
454.08212	2.5
454.58527	10.8
455.08517	3.5
463.08652	1.4
471.06763	0.9
487.12390	1.6
489.12762	0.7
519.11346	4.8
520.11694	0.7
529.13654	1.7
549.25537	0.7
565.16846	1.2
573.12537	0.7
591.13416	2.1
608.64166	0.7
609.14600	100.0
610.14874	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61136	0.6
58.63438	0.6
59.01390	4.6
62.12607	0.6
63.02407	0.9
65.00333	2.1
70.62899	2.1
71.01386	3.0
72.99299	1.3
73.02935	1.2
75.00879	5.4
83.01386	1.7
85.02967	1.3
87.00842	0.7
89.02430	1.1
91.01862	0.9
93.03452	1.5
95.01382	1.4
96.96082	0.9
99.00880	0.7
101.02432	1.9
107.01384	3.5
108.02190	1.3
109.02959	19.0
111.00896	1.0
113.02467	2.1
118.99930	1.1
119.03458	0.6
119.05068	2.3
121.02976	4.2
121.03690	0.7
123.04566	0.7
124.01679	1.4
125.02463	2.9
132.04578	0.8
133.02962	1.4
133.06647	0.6
134.03731	0.7
135.00859	0.9
135.04515	7.3
137.02396	1.2
139.03955	0.8
142.50908	0.6
145.02959	3.7
147.04535	1.7
148.01675	1.6
149.02429	2.1
149.06065	3.7
151.00380	13.7
152.01117	2.2
153.01952	22.3
159.04539	2.1
161.02412	2.6
161.06100	1.2
162.03197	1.1
163.00351	2.6
163.04012	4.1
163.06024	0.6
164.04474	0.7
165.04262	0.7
165.05553	1.6
169.01453	1.1
171.04625	0.7
173.02339	0.9
174.03238	1.5
175.02667	0.6
175.03990	3.2
177.01956	3.3
177.05571	10.6
178.99854	5.2
179.03514	0.7
183.04578	0.9
185.02422	0.8
187.03979	1.2
188.04759	0.7
189.01862	1.0
189.05594	4.3
191.03526	3.5
195.02884	0.8
199.03999	1.4
201.01941	1.1
201.05569	1.4
203.03471	2.2
203.07309	0.7
207.06714	0.8
211.03937	1.2
213.05527	1.3
215.03557	0.9
215.06541	0.6
219.03076	1.6
221.04623	6.5
226.02730	0.9
227.03522	4.5
227.06982	0.9
228.07497	0.8
231.06631	3.5
233.04584	1.6
237.12755	0.6
241.05080	1.0
243.02982	10.0
245.04463	1.1
248.96635	0.6
249.07657	0.8
252.04501	0.6
253.05078	3.6
254.02116	1.6
255.02985	27.2
256.03537	3.1
257.04523	2.4
267.06665	0.9
269.01077	1.4
269.04614	2.4
271.02487	46.7
272.03058	4.4
273.03912	1.5
275.05670	0.7
279.02988	2.3
279.06519	1.1
280.03656	1.2
281.04327	1.0
283.02484	8.8
284.03183	2.7
285.04071	2.4
291.06512	0.7
293.04395	1.3
295.06104	1.7
297.06195	16.6
298.06696	0.9
299.01938	1.9
300.02771	64.7
301.03506	32.6
302.03943	1.9
311.07715	1.7
323.05783	1.1
335.05753	0.9
343.04492	1.0
343.08636	0.9
361.05853	0.7
361.10403	2.1
401.10471	1.0
403.02789	1.0
403.07834	0.8
406.49844	0.7
427.07996	1.3
445.09262	6.9
446.09247	1.0
447.09125	3.6
454.08212	2.5
454.58527	10.8
455.08517	3.5
463.08652	1.4
471.06763	0.9
487.12390	1.6
489.12762	0.7
519.11346	4.8
520.11694	0.7
529.13654	1.7
549.25537	0.7
565.16846	1.2
573.12537	0.7
591.13416	2.1
608.64166	0.7
609.14600	100.0
610.14874	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18827	0.9
62.11671	0.6
63.78914	0.7
65.00332	1.7
69.97475	3.5
70.03421	0.8
71.31208	0.7
75.00861	1.1
83.01408	1.0
89.04663	0.7
93.03478	1.5
100.50245	0.7
107.01383	2.0
109.02952	1.3
117.03465	0.7
121.02938	1.3
125.02441	0.8
135.04570	1.0
137.02481	0.8
145.03024	0.8
151.00410	5.7
159.04543	1.4
161.02534	1.1
169.06566	0.8
169.76456	1.0
177.01958	0.8
177.05528	1.0
178.99850	1.8
183.04503	2.5
187.04077	1.3
198.05090	1.2
199.03952	1.1
211.04034	3.1
213.05522	1.2
214.02773	0.9
215.03522	0.9
227.03519	8.6
239.03716	0.9
243.03014	2.4
255.02991	49.9
256.03439	4.3
271.02463	12.6
279.03119	0.9
283.02496	100.0
284.03143	15.3
285.04053	78.1
286.04391	5.6
295.06183	0.8
299.02002	18.7
300.02747	7.1
301.03568	15.5
327.04999	3.6
445.08908	0.8
446.08554	19.1
447.09320	63.5
448.09625	4.6
454.57849	1.0
462.08105	5.7
463.08823	6.0
489.10315	5.0
609.14606	71.0
610.14856	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	609.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.8
59.71772	0.6
65.00342	1.3
71.61456	0.9
72.82018	0.7
72.83923	0.7
75.00887	2.0
83.01389	1.1
90.71861	0.7
93.03468	0.9
107.01376	1.3
109.02955	2.4
117.03475	1.3
119.05104	0.8
121.02962	1.5
123.04546	0.9
125.02490	1.0
133.02887	1.1
140.73573	0.7
145.02943	1.3
147.04512	1.2
151.00363	3.5
153.02014	1.2
159.04607	1.0
161.02452	1.4
163.00417	0.9
164.96452	0.7
171.04507	0.8
173.02411	0.9
175.04007	1.0
177.01929	1.4
177.05611	2.1
178.99901	1.0
183.04489	3.5
185.05963	0.9
189.05556	1.1
211.04031	2.9
213.05447	0.9
221.04483	1.1
225.05769	0.9
227.03508	10.4
229.05104	1.2
239.03488	1.4
243.03081	1.3
253.05132	1.2
255.02991	57.4
256.03485	5.0
269.04648	1.0
271.02588	4.4
279.02875	0.8
280.03577	1.0
281.04254	0.9
283.02487	100.0
284.03180	26.9
285.04041	57.8
286.04324	3.7
295.06100	0.9
297.04138	3.0
298.04788	0.9
299.01758	1.1
300.02701	6.4
301.03458	3.4
326.04456	0.9
327.05130	2.2
445.09564	0.9
446.08560	18.4
447.09326	98.6
448.09790	6.8
454.58560	1.3
489.10483	7.9
609.14594	45.7
610.14893	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	609.1461
Annotation	Rutine
Peak:m/z	Relative Intensity
65.00333	1.2
71.13659	1.1
76.27387	0.6
83.01405	0.9
93.03490	0.6
107.01379	2.8
108.02200	1.7
109.02972	1.2
121.02975	2.0
135.00899	0.9
141.92168	0.5
148.01663	1.2
151.00381	11.6
163.00375	1.9
169.01408	0.8
178.99884	6.5
183.04482	0.7
199.54622	0.6
211.04027	1.0
215.03586	0.6
226.02774	1.4
227.03537	2.5
229.04999	0.9
239.03392	0.8
243.02991	9.6
243.05272	0.8
244.03464	0.9
245.04433	1.1
245.28885	0.6
245.42815	0.5
254.02217	2.3
255.02992	24.1
256.03473	1.3
271.02490	56.5
272.02942	3.5
273.04025	1.3
283.02612	1.3
299.02072	1.4
300.02765	100.0
301.03513	38.5
302.03928	2.0
532.32648	0.6
609.14630	95.5
610.14972	12.3
618.00116	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1251
Annotation	56343-26-1
Peak:m/z	Relative Intensity
55.09258	1.0
58.18287	0.9
59.37925	0.8
63.02373	1.2
64.76981	0.8
65.00322	2.2
65.12333	0.8
65.51074	0.9
69.76891	3.8
83.01410	1.1
107.01389	3.9
108.02200	1.7
109.02966	1.9
117.23404	0.8
121.02933	2.7
124.01603	0.9
133.02974	1.5
135.00928	1.3
135.04521	2.1
140.92230	0.9
145.02959	3.0
148.01712	1.8
151.00388	16.6
159.04541	2.3
161.02475	4.6
163.00386	3.0
173.85757	0.9
178.99861	8.5
179.03531	1.1
183.04588	1.4
190.99971	1.4
201.05630	1.1
203.03452	0.9
211.04027	1.3
215.03529	1.5
226.02713	1.4
227.03485	6.7
229.05045	1.5
243.02969	11.2
244.03534	1.7
245.04607	1.9
254.02213	2.7
255.02992	35.4
256.03430	1.8
271.02490	64.9
272.02930	6.4
273.04092	1.6
283.02359	1.4
284.03293	2.3
285.04092	6.5
299.01913	3.6
300.02762	100.0
301.03503	49.0
302.03891	3.0
323.07574	1.3
343.11807	2.4
369.28027	1.1
458.38123	1.0
463.08853	54.4
464.09232	4.1
609.12506	59.9
610.12830	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	607.334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	2.6
59.01379	20.1
61.98841	7.2
69.18084	1.0
71.01390	7.6
71.62438	1.9
73.02963	3.3
75.00875	3.6
76.31232	1.0
83.01405	1.3
85.02979	2.0
87.00876	1.2
87.04516	1.4
88.98804	1.8
89.02438	2.9
99.00884	1.3
101.02428	5.4
109.03018	1.3
113.02444	2.8
116.92838	1.7
119.03531	1.2
127.11325	2.4
135.04514	1.2
141.12817	2.0
145.02988	1.4
148.03957	1.2
154.14360	0.9
161.02480	1.3
164.47150	1.0
171.13922	2.6
177.16492	1.1
185.11903	1.7
189.06680	1.7
206.76399	1.1
215.08141	1.8
215.12874	1.5
231.07712	6.1
239.11824	1.3
245.10207	1.2
279.03064	1.8
299.02023	1.4
299.18628	2.1
304.36060	1.0
341.26987	4.5
357.26447	2.2
359.28043	100.0
360.28470	8.2
381.18387	3.5
382.18530	3.5
383.18689	3.3
383.28061	5.4
385.25970	1.9
401.29901	1.2
426.20392	3.0
444.21310	3.6
455.07861	1.1
503.32361	1.6
521.33289	3.5
563.34521	14.1
564.35992	1.2
564.46881	1.1
577.26312	3.2
607.27783	7.1
607.36902	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	606.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57122	2.1
54.18508	2.1
59.01099	3.5
59.01385	57.5
59.61553	2.2
60.75605	2.2
61.98838	37.2
62.58397	2.5
71.01393	26.9
71.41718	3.3
72.99297	3.5
73.02939	7.5
74.02479	58.1
75.00860	7.0
79.12206	2.5
83.01392	4.6
85.02968	7.6
89.02457	13.7
99.00897	2.6
101.02444	14.0
101.93834	2.0
104.03535	10.6
109.38477	2.7
113.02473	5.6
119.03502	4.7
120.04515	3.2
121.17599	2.7
125.02449	3.4
132.16977	2.7
138.31345	2.5
150.87454	2.7
161.02431	3.0
182.15363	2.3
265.05121	2.9
279.03030	4.9
285.68408	2.7
296.25885	3.6
340.26077	2.8
358.26608	2.8
359.27859	7.4
426.32373	4.1
472.29044	5.4
490.30066	5.0
532.31207	14.5
562.32355	100.0
563.33020	12.7
606.38776	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	607.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08963	3.0
67.73531	2.8
69.30926	2.7
69.31205	30.2
72.67695	3.1
74.68494	3.2
89.40622	3.2
93.03453	22.9
96.00082	2.8
112.95615	2.8
113.27435	3.5
118.99863	5.7
119.05022	9.5
131.05048	9.3
133.06567	8.4
145.02936	4.6
147.04506	13.3
147.68442	3.3
149.96225	3.2
159.04547	8.9
177.05576	100.0
178.05780	5.9
265.03510	6.4
303.14133	3.3
625.19208	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
65.08893	2.2
70.11681	2.7
70.12022	10.5
75.00874	5.8
84.75673	2.7
93.03461	22.4
104.08654	2.6
109.02910	2.6
111.77471	2.5
118.99865	2.7
119.05029	7.2
131.05037	9.6
133.02959	3.0
133.06622	6.2
145.02959	7.5
147.04536	17.6
149.06061	5.3
159.04520	7.4
175.03999	3.3
177.05579	100.0
178.05936	6.8
227.07088	5.6
265.03476	6.9
279.02957	11.4
382.33365	2.6
427.07651	3.2
455.07629	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	605.321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65460	0.2
59.01370	0.4
59.30040	0.2
61.98833	100.0
68.43333	0.2
73.82865	0.2
78.95926	0.8
97.57568	0.2
152.99599	0.5
155.44598	0.2
171.00633	0.2
277.75836	0.2
303.23239	1.7
304.23724	0.3
305.24017	0.3
343.65494	0.2
528.31006	0.8
571.88513	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.1
61.98835	100.0
70.64293	1.3
75.00871	0.5
85.02960	0.4
89.02469	0.5
101.02450	0.5
101.97842	0.4
111.04572	0.4
113.02443	0.5
169.32030	0.4
206.46490	0.4
222.95108	0.6
276.00583	0.4
361.10455	0.4
380.24548	0.5
465.10809	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	5.3
59.01384	75.7
61.98834	31.7
69.97093	7.4
69.97492	8.1
71.01396	20.8
72.99314	3.6
73.02946	12.7
75.00877	8.6
81.41079	3.1
85.02953	9.7
89.02441	10.4
96.95976	7.8
100.67484	3.1
101.02456	12.0
110.06052	4.1
111.83426	2.9
113.02449	7.4
119.05025	3.8
123.08163	5.2
125.09740	4.0
129.05650	4.9
136.07693	6.6
138.09276	5.1
140.97894	3.2
150.05621	3.9
153.09251	3.0
155.10689	4.8
171.10188	7.3
173.04758	4.6
173.06108	5.0
173.08041	3.0
174.05569	8.0
179.08272	6.2
201.09344	6.7
201.11278	3.3
202.08702	5.4
216.28860	3.9
231.11536	3.3
242.08162	5.0
244.09825	3.9
245.09294	3.3
287.13901	4.5
321.24234	5.6
337.19189	4.4
339.16629	4.3
339.25427	3.9
357.22836	5.9
357.26569	47.1
358.26736	6.8
370.17422	9.6
381.18222	53.1
382.18054	17.1
383.24396	100.0
384.24725	8.9
396.15289	3.8
397.25760	4.9
424.19016	5.9
425.17496	3.7
442.19791	11.5
443.30066	8.8
533.23694	3.6
545.24255	5.4
561.33020	39.2
562.33026	6.0
605.25562	21.5
605.35364	14.4
606.26642	4.5
632.84668	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	605.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51591	0.5
59.01389	4.1
61.98833	2.6
63.96217	0.7
69.33508	4.3
71.01389	3.1
73.02942	0.8
75.00887	1.3
78.98603	2.2
79.95742	75.7
80.96522	23.8
85.02956	1.3
87.00858	0.8
94.98090	4.8
96.96027	1.6
97.02947	1.1
101.02449	1.4
106.98093	1.0
111.94764	2.4
113.02476	1.0
116.92826	1.1
122.97601	1.6
125.02431	2.0
134.97580	2.5
135.04614	0.4
136.99142	3.3
148.99121	2.6
152.98643	3.5
152.99770	0.6
161.04474	0.8
164.98618	4.9
179.00185	1.8
182.99646	2.1
192.06454	0.4
197.01251	2.1
201.26263	0.5
206.99719	3.1
225.00751	11.6
241.00249	7.2
243.01790	5.5
275.07104	0.7
285.02988	1.1
299.04474	1.5
303.06476	1.2
315.03894	4.0
333.07782	1.1
361.10757	2.8
387.08624	0.6
405.09732	0.8
416.26456	0.6
446.43301	0.5
463.10223	0.9
464.11063	0.7
503.17365	1.6
525.19861	0.5
548.79993	0.6
563.38385	0.6
605.30048	100.0
606.30383	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	605.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26410	0.9
59.01374	3.4
61.98817	2.1
68.43813	0.9
69.03466	1.1
71.01387	5.6
75.00880	1.9
78.98592	3.7
79.95741	30.0
80.96523	46.8
85.02939	2.1
87.00877	2.2
90.73563	0.9
94.98101	8.4
96.96027	1.6
101.02454	1.6
105.45331	1.0
106.98110	2.4
113.02438	1.1
117.46682	1.0
122.97561	2.8
134.97609	3.9
136.99136	2.3
145.93356	1.0
148.99156	3.8
152.98639	4.4
164.98631	8.4
166.47952	1.0
179.00209	1.1
206.99614	2.9
225.00758	11.0
241.00253	2.0
243.01764	2.5
281.03308	1.1
309.20605	1.2
382.47073	1.2
400.42752	1.2
450.21878	1.0
464.11057	1.0
495.36969	1.2
565.60052	1.1
593.64587	1.0
605.30042	100.0
606.30505	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	605.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37329	0.8
59.01372	3.0
61.98836	2.0
63.96255	1.2
70.13381	3.7
71.01395	5.6
73.02943	1.9
75.00872	1.0
78.98614	3.9
79.95743	28.0
80.96520	49.0
85.02937	1.9
87.00884	1.0
94.98093	10.7
95.51314	0.8
96.95998	1.8
97.02953	1.3
101.02431	2.1
106.98078	2.4
109.01131	1.0
109.16228	0.9
122.97578	1.8
125.02445	2.8
134.97562	2.8
136.99158	1.6
148.99139	3.8
152.98599	3.9
164.98633	8.5
206.99654	2.5
225.00758	10.5
241.00246	1.0
243.01796	1.8
243.74774	0.8
315.04111	1.2
327.80746	0.9
381.26434	0.9
461.21347	1.0
554.81311	0.9
605.30048	100.0
606.30353	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	605.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77748	0.7
55.93761	0.6
56.73769	0.6
59.01385	6.7
61.98834	10.3
65.10313	0.7
69.27222	2.5
69.27648	3.9
71.01393	1.5
73.02950	1.4
75.00864	0.8
82.02970	1.3
83.05013	1.1
85.02944	0.8
96.96033	1.0
100.57207	0.7
101.02448	1.4
108.04555	0.9
112.04061	1.1
122.06102	1.1
124.07714	1.3
129.05571	2.0
133.06612	0.8
134.06094	2.0
136.07700	3.3
138.05598	0.8
138.09274	3.2
147.03241	1.3
148.04051	6.3
149.04788	2.5
150.05586	4.8
159.04539	1.2
160.04053	2.2
161.04828	3.0
162.05659	3.1
164.10835	1.0
166.46806	0.6
167.96632	0.6
172.05296	2.1
173.03548	1.2
173.04852	3.1
173.06104	4.0
173.09749	1.2
174.04295	3.5
174.05617	7.9
174.09319	0.7
175.05083	1.9
175.07590	0.8
179.08240	2.9
183.46666	0.5
186.05577	1.3
189.06717	0.9
190.07440	0.8
191.08202	2.3
194.90070	0.7
199.07675	3.2
200.06976	3.1
200.10970	0.8
201.07773	2.1
201.09465	5.1
202.08757	5.6
213.09261	2.4
214.08809	3.1
216.10277	1.6
218.08136	0.7
226.08807	1.2
227.07344	1.4
228.06857	0.8
229.07436	1.8
232.08511	2.1
233.09293	1.1
242.08255	8.3
243.09048	5.9
244.09921	10.3
245.09938	0.8
256.09827	2.8
258.11392	0.7
287.14014	3.0
297.12460	0.8
312.13586	3.8
320.16690	1.0
328.16635	0.9
339.17126	2.6
352.16837	0.8
357.26520	1.9
363.17227	1.7
365.83041	0.7
368.67789	0.6
370.17606	5.8
381.18198	100.0
382.18399	11.7
424.18839	3.2
425.16904	1.8
442.19800	16.0
443.20367	1.8
475.19925	2.5
476.20096	0.8
587.25244	3.1
588.25293	0.8
605.25848	8.0
606.26257	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89265	0.4
57.03439	0.9
59.01370	2.6
61.98832	0.5
68.06483	0.4
69.29449	5.1
71.01366	0.5
82.02996	1.9
83.05029	1.4
96.36572	0.5
108.04562	0.8
110.06146	0.5
115.06044	0.5
120.04578	1.2
121.06607	0.8
122.06142	1.2
124.07690	1.6
129.05585	2.5
134.06157	0.6
136.07698	4.9
138.09264	3.6
147.03273	1.6
147.04439	0.5
148.02910	0.9
148.04048	9.0
148.07739	0.7
149.03708	0.6
149.04797	3.0
150.05629	7.6
151.06003	0.5
157.06552	1.0
159.08101	0.9
160.04047	3.3
161.04825	4.5
162.05573	2.0
164.10756	0.7
172.05293	2.9
172.07678	0.8
173.03519	1.7
173.04805	4.5
173.06099	4.5
173.09686	1.9
174.04306	4.8
174.05620	8.9
175.05089	2.2
175.07535	0.9
176.05867	0.9
177.06543	0.6
179.08237	0.9
186.05589	1.3
186.07014	0.7
187.06395	1.5
188.07205	0.5
189.06746	2.1
190.05066	0.7
190.07422	3.3
191.08249	2.3
199.07726	3.7
200.07011	2.8
200.08772	0.7
201.07877	2.2
201.09450	5.1
202.08730	6.3
213.09210	1.9
214.08739	4.3
215.10870	0.6
216.10330	1.2
218.08340	0.7
225.08116	0.6
226.08740	1.5
227.07178	1.5
228.06676	1.2
229.07420	2.0
231.07672	0.9
232.08540	3.9
233.09305	1.8
242.08203	8.4
243.09033	6.6
244.09850	15.5
245.09569	1.9
256.09805	3.3
258.11441	1.1
287.11078	0.6
287.14026	4.1
297.12354	1.4
305.11548	2.0
312.13525	4.3
320.16248	0.5
328.16806	1.4
328.72867	0.5
338.17383	0.7
339.17340	2.8
342.76080	0.5
353.14926	0.5
363.17209	0.6
369.19037	0.5
370.17715	8.3
371.17953	1.2
381.18213	100.0
382.18457	11.0
383.16357	0.6
400.18790	0.9
406.17807	0.9
424.18732	4.7
425.16885	2.5
442.19839	17.7
443.20355	1.4
468.17966	0.5
475.19861	3.6
533.23822	0.9
587.25244	2.8
588.25659	0.7
605.26111	9.1
605.34894	0.7
606.26733	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92528	0.6
53.31731	0.5
57.03452	0.7
59.01388	4.3
65.76152	0.6
69.66386	3.4
71.01356	1.0
74.93282	0.6
82.02986	1.9
83.05036	0.8
88.86694	0.6
94.39429	0.5
95.03776	0.7
108.04533	0.9
109.02943	0.6
109.66827	0.6
113.02464	0.7
114.08457	0.6
120.04547	1.6
121.06609	0.7
122.06107	1.2
124.07642	1.2
129.05577	2.2
132.04568	0.7
134.06084	1.1
136.07695	4.9
138.05597	0.8
138.09248	2.7
145.02982	0.6
147.03279	0.7
147.05623	0.7
148.04053	9.6
149.04805	2.7
150.05618	9.6
157.06607	1.1
159.08084	0.9
160.04016	3.3
161.04868	3.9
162.05580	1.9
163.06244	0.6
164.10892	0.9
171.08073	0.8
172.05273	3.1
172.07600	0.7
173.03532	1.9
173.04921	3.6
173.05981	3.7
173.09694	1.5
174.04309	4.4
174.05620	9.0
174.98093	0.6
175.05110	2.2
176.07228	0.8
179.08299	0.9
186.05511	1.0
186.06982	0.6
187.06375	1.8
189.06674	2.7
190.07466	2.4
191.08234	1.6
195.34224	0.5
199.07640	3.6
200.07149	2.1
200.08690	0.9
201.07872	2.7
201.09515	4.4
202.08740	6.4
213.09245	2.7
214.08653	3.0
215.07962	0.7
215.10892	0.9
216.10304	1.9
218.08157	0.8
224.07079	0.8
225.07779	0.7
226.08766	1.5
227.07130	1.2
228.06705	1.0
229.07483	2.0
231.07776	0.7
232.08516	2.1
233.09227	3.0
242.08252	9.3
243.09131	6.8
243.11423	1.3
244.09834	13.2
245.09464	2.5
256.09885	3.3
258.11365	0.9
287.10764	0.8
287.14011	4.8
297.12299	0.8
312.13608	3.3
320.16629	0.7
328.16672	1.8
336.13046	0.6
338.17725	0.7
339.17349	3.5
363.17252	1.0
370.17810	9.1
379.16870	0.6
381.18213	100.0
382.18359	11.9
383.16089	1.6
383.24368	1.0
401.21225	0.8
401.25735	1.2
402.26251	0.6
424.18832	4.8
425.17487	2.5
442.19830	17.5
443.20364	2.2
475.20071	2.4
476.19897	0.7
515.86804	0.7
533.23981	1.2
587.25049	3.0
588.26428	0.8
605.26007	9.3
606.26514	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	605.2408
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
61.98817	1.1
70.10715	2.4
73.65182	0.5
78.95937	0.5
80.28085	0.6
87.53552	0.6
91.08627	0.5
98.20637	0.6
181.08670	2.5
214.48476	0.6
242.63290	0.6
254.24757	0.6
261.48468	0.6
292.15192	0.6
325.35858	0.6
430.18213	1.8
443.18887	0.9
444.19220	0.7
457.20453	1.5
458.21161	0.8
459.18497	2.4
471.18204	1.8
472.18802	0.7
473.19922	4.5
485.19977	2.1
486.21042	3.1
487.21649	0.9
499.17651	1.4
501.22772	2.7
511.22147	2.7
511.28586	0.9
513.19330	2.4
514.20190	7.7
515.20428	1.3
518.19495	1.5
528.22217	0.9
529.22461	100.0
530.22791	12.1
532.21277	1.6
533.22101	1.8
561.24835	1.2
573.21191	1.0
605.23505	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.6
59.01384	2.9
69.44778	2.6
69.45197	1.7
71.01380	1.3
73.02921	0.7
82.02979	1.6
83.05058	0.9
91.30466	0.5
101.02456	0.9
110.06117	0.8
112.58421	0.6
113.02455	0.6
119.05073	0.5
120.04536	0.8
122.06097	0.6
124.07687	1.5
129.05568	2.5
134.06079	0.7
134.70291	0.5
136.07658	3.8
138.09245	3.3
139.51120	0.6
147.03246	1.7
148.04070	7.4
148.67705	0.7
148.85709	0.5
149.03612	0.8
149.04776	2.2
150.05618	5.4
152.66882	0.7
157.06561	0.9
160.04041	2.5
161.04861	3.0
162.05573	1.1
172.05296	2.1
173.03572	1.3
173.04807	3.5
173.06091	4.6
173.09706	1.6
174.04291	3.5
174.05621	7.4
175.05058	1.2
176.05923	0.7
179.08250	0.9
186.05542	1.1
186.06960	0.7
187.06432	0.7
188.07214	0.6
189.06714	1.7
190.07364	1.3
191.08243	0.8
199.07626	4.3
200.07167	2.2
200.10811	0.6
201.07887	3.0
201.09534	4.4
202.08733	6.5
213.09262	1.3
213.98721	0.7
214.08708	3.5
216.10313	2.0
226.08711	1.2
227.07164	1.3
228.06693	1.7
229.07442	0.9
232.08505	1.3
233.09343	1.9
242.08234	7.8
243.09093	5.9
243.11470	1.0
244.09845	12.0
245.09567	0.8
256.09860	3.2
258.11258	0.8
287.13922	4.0
297.12634	1.2
308.39975	0.6
312.13681	3.1
313.11844	0.7
320.16382	1.2
328.16611	1.7
339.17160	2.5
363.17349	1.0
370.17645	7.4
371.18185	0.8
381.18204	100.0
382.18369	10.7
406.17621	0.6
424.18829	4.6
425.17346	1.0
442.19830	15.3
443.20154	1.5
468.17682	0.8
475.19965	3.0
587.25092	2.4
605.26154	6.4
606.26178	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	604.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01102	1.1
59.01382	16.5
61.98823	1.3
71.01372	1.1
71.61102	0.9
75.28745	1.0
78.95912	9.3
80.96515	2.0
82.20491	0.9
84.77103	1.0
88.17104	1.0
94.98112	1.2
100.67094	0.9
152.99530	1.4
168.04367	1.6
179.96843	0.9
242.07953	3.5
280.92160	1.0
287.23383	1.0
298.01636	0.9
305.24866	100.0
306.25229	7.2
335.49097	0.9
369.60757	0.8
381.25671	0.9
490.43167	1.0
530.32550	27.3
531.32776	2.8
560.93799	0.9
604.28723	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
70.19931	7.8
93.03456	23.6
107.05029	2.1
116.79306	1.9
117.03445	1.7
118.99889	3.4
119.05036	7.4
130.04230	2.0
131.05026	6.2
133.06618	6.8
139.21194	1.7
145.02917	4.3
147.04512	13.6
149.06165	2.4
159.04555	9.0
169.61768	1.8
177.01974	5.5
177.05569	100.0
178.05902	3.1
265.03598	5.1
390.52927	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	605.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	13.4
59.01381	4.9
60.18795	0.6
61.98831	2.3
66.06231	0.7
69.82617	2.7
71.01391	2.0
75.00864	1.8
78.84739	0.6
81.03459	12.1
83.01394	2.7
98.19923	1.3
101.02450	1.1
113.02423	1.1
125.02455	100.0
126.02802	2.1
137.02432	1.4
143.05035	1.4
147.04532	1.4
161.02466	2.2
163.04013	1.2
167.03505	0.8
171.04543	2.5
173.02452	1.4
174.03207	5.1
175.04018	19.8
176.04366	0.6
180.56757	0.7
185.05965	0.8
187.04097	0.7
191.14502	1.3
195.04601	1.0
196.05281	2.4
197.06152	1.2
197.11877	1.6
198.03244	3.3
199.04012	14.9
199.05745	1.2
201.02026	3.4
211.04042	1.9
212.04811	2.6
213.05623	2.8
216.04344	0.9
217.05066	14.0
218.05247	0.8
223.04082	0.7
223.07487	0.8
225.05653	1.9
231.17477	0.8
240.04297	3.8
241.05078	18.4
243.02917	4.1
253.09326	2.0
254.05789	0.9
275.16531	1.2
285.04105	9.5
303.06729	0.9
304.07822	0.7
309.20853	1.8
337.14398	0.8
349.18146	1.2
361.10886	2.6
363.19659	1.3
365.17862	1.1
366.18076	0.6
367.19202	1.0
387.14795	0.8
391.19189	6.3
392.19598	0.8
393.17145	8.6
407.18652	3.2
408.19250	0.9
411.18301	2.4
417.17078	0.9
435.18161	13.9
436.18817	1.2
438.49185	0.7
451.17529	0.9
459.18372	0.8
463.10782	0.7
477.19275	2.6
479.17130	85.6
480.17404	10.4
503.17038	1.2
519.20209	0.9
545.18652	0.8
545.37067	0.9
587.19397	2.8
605.20251	5.3
605.34924	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.3
61.98835	100.0
63.09547	0.6
69.68603	3.4
78.95927	0.9
107.03188	0.5
110.83450	0.7
119.05057	2.3
120.05401	0.6
152.99538	0.5
169.57951	0.6
255.23351	0.8
464.20001	0.6
484.65088	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12689	0.9
53.15899	0.9
61.98834	100.0
63.58898	0.9
66.42487	0.9
70.36106	0.9
71.17290	1.4
78.95927	1.7
80.96525	3.2
84.16668	1.0
95.63621	0.9
130.46048	0.8
194.73264	0.9
312.33093	1.2
354.73654	1.2
361.08493	1.0
436.89627	1.0
455.87167	1.4
538.03967	1.1
605.30603	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	604.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74900	0.4
59.61560	0.5
61.98834	100.0
69.32064	2.9
69.32486	1.7
78.95934	0.6
109.01438	0.5
124.34287	0.5
124.78311	0.5
132.88974	0.6
146.11079	0.5
203.11961	0.5
247.41483	0.5
306.25317	1.4
335.36105	0.6
605.30792	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54057	3.3
52.99464	2.6
59.01379	58.9
71.01386	22.2
73.02934	3.4
75.00871	4.8
79.95721	3.9
80.96540	4.2
83.01376	3.9
85.02937	7.8
89.02460	18.8
89.02906	3.7
95.05005	2.7
97.02904	3.7
97.06587	5.2
98.20664	5.4
101.02444	22.4
106.41586	3.3
113.02448	11.4
119.03494	5.2
123.04501	3.4
125.09717	6.8
135.08168	3.2
137.57364	2.8
143.76268	2.9
161.04527	6.5
163.11296	7.3
174.26070	2.9
179.05571	4.7
185.11835	7.0
191.14433	7.1
207.10226	4.0
209.11884	19.8
233.60316	2.7
245.19144	18.3
246.19533	2.6
253.09296	71.2
254.09790	5.8
263.20053	5.2
289.18097	96.9
289.21338	5.0
290.18185	4.0
302.67059	2.7
307.19162	100.0
308.19766	6.8
561.35339	5.4
603.28491	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	603.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	7.0
59.01382	87.6
61.98841	19.2
63.10155	7.2
67.73917	6.4
71.01392	36.6
75.00884	8.4
85.02981	7.7
89.02444	18.3
89.89411	6.3
97.06592	13.0
101.02443	35.5
106.33802	6.2
111.76035	6.7
112.65866	6.5
113.02432	11.6
123.92203	6.5
151.11292	12.3
161.04541	9.7
165.12816	14.9
181.12361	8.5
191.10742	9.7
209.11815	45.6
219.59972	6.7
227.12791	13.6
245.19104	9.5
253.09314	73.0
262.90598	6.8
263.20114	18.1
289.18185	26.2
307.19150	100.0
308.19620	10.4
328.73947	7.3
445.20761	24.5
469.49658	7.1
543.28009	15.6
559.29657	10.5
603.29199	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	7.2
59.01390	68.9
59.82077	6.0
61.98831	18.1
71.01382	16.0
79.95759	7.9
80.96545	12.8
89.02451	9.4
97.06621	14.2
101.02450	11.7
104.96842	5.6
113.02446	10.3
135.04515	39.6
145.39636	6.8
151.11263	10.9
152.44991	5.5
159.04539	7.4
165.12871	20.1
181.12335	17.7
191.10826	7.4
199.60001	6.6
209.11874	47.4
211.13347	10.0
227.12854	14.0
245.19135	13.3
253.09280	34.6
263.20081	21.5
289.17966	27.2
307.19153	100.0
336.69904	6.7
397.26044	14.9
445.20981	7.9
543.28076	12.0
559.28918	25.3
603.28143	34.0
608.77600	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	603.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85561	2.8
54.55923	2.6
56.32109	2.9
59.01372	4.5
60.99317	16.7
70.36751	5.6
74.18433	3.2
78.95911	3.3
87.00875	5.0
88.00433	19.0
88.00877	3.0
88.04056	3.7
88.98817	100.0
89.02454	95.5
96.42946	3.0
98.20465	3.0
113.18729	3.1
126.41991	2.8
148.90939	12.0
282.43472	3.0
303.23425	4.0
304.23541	4.2
319.88525	3.1
324.97989	4.0
348.21536	3.4
362.52936	3.2
529.31543	5.7
596.52740	4.0
603.19775	7.4
603.28455	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	603.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.6
59.01384	52.2
61.98834	3.2
71.01388	12.0
71.42001	3.6
73.02951	4.5
75.00851	3.5
79.95739	4.4
80.96537	3.4
83.01405	3.6
85.02939	5.0
87.00874	3.6
89.02437	8.5
95.01401	2.2
95.04980	2.5
97.06602	6.1
101.02439	10.1
112.94295	2.3
113.02461	7.0
123.04548	3.6
123.08187	3.6
125.09678	4.4
128.21460	2.4
137.09706	3.2
161.04552	4.1
163.11290	7.2
176.23999	2.2
179.05600	3.8
181.61288	2.2
185.11798	7.8
191.14383	7.1
207.10304	5.1
209.11850	19.6
225.11212	5.1
237.11414	3.9
245.19080	18.4
253.09305	37.7
253.11971	3.5
254.09607	2.2
263.20135	4.0
289.18115	100.0
290.18475	8.4
307.19171	87.3
308.19464	6.3
441.64127	2.5
482.48114	2.8
603.28461	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	603.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11951	0.4
50.92408	0.4
59.01373	2.0
70.58305	1.6
71.01385	0.5
72.99309	0.6
86.89441	0.5
96.96015	8.7
97.62013	0.5
98.95602	6.5
98.96429	1.4
99.92591	16.1
100.84641	0.5
100.92715	0.5
100.93378	1.9
103.00412	0.6
108.02254	0.4
113.02480	0.5
115.92087	27.4
116.92869	100.0
117.92899	4.8
133.39186	0.5
140.92848	0.5
141.93677	0.6
142.94427	0.9
158.93929	1.1
184.91843	2.0
253.05301	1.0
255.03162	0.6
270.32037	0.5
276.71857	0.6
285.03986	1.4
321.11646	2.0
455.10159	0.6
463.14572	0.6
481.15286	3.3
499.16122	0.8
517.17535	3.9
523.16461	1.9
541.17902	1.2
559.18561	6.7
560.18829	1.1
603.17505	21.5
603.24884	1.0
604.17889	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	603.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86669	1.1
59.01376	3.9
61.85424	1.2
61.98836	12.1
62.37273	1.2
63.64849	1.2
63.96255	1.2
71.01395	6.4
71.61784	1.8
73.02935	2.4
75.35051	1.2
78.95885	2.0
78.98589	5.2
79.95731	8.8
80.96523	63.3
85.02956	2.5
87.00861	2.8
94.98089	13.8
101.02453	2.8
106.98098	2.9
107.99958	1.2
118.02896	1.0
119.76083	1.1
122.97598	4.8
125.02462	2.4
127.06655	1.1
134.97574	3.0
136.99142	1.3
148.99132	5.0
149.84383	1.2
151.11125	1.1
152.98625	5.7
157.08292	1.1
164.98637	10.0
182.99648	2.8
205.12466	1.2
206.99681	1.9
225.00693	13.3
235.99091	1.4
299.04385	2.7
303.23196	1.5
323.39890	1.2
358.88348	1.2
563.45154	1.4
603.28448	100.0
604.28528	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	603.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47791	0.4
51.68109	0.4
51.92861	0.4
59.01379	1.8
62.64096	0.3
69.46665	0.9
69.47089	2.2
71.01385	0.6
75.00864	0.5
96.96012	7.3
98.95610	4.9
98.96335	0.5
99.92590	17.3
100.92670	0.8
100.93378	2.2
114.94921	0.6
115.92078	25.7
116.92862	100.0
117.92869	4.2
135.28906	0.4
140.92868	0.7
141.93640	0.7
142.94441	1.1
156.92291	0.8
158.93927	0.9
170.93915	0.5
184.91885	2.4
196.95500	0.4
253.05435	0.7
259.96216	0.7
284.03235	0.4
285.04089	1.5
286.04343	0.5
321.11688	1.6
345.96198	0.4
387.91599	0.4
455.09845	0.5
463.14215	0.8
471.13101	0.6
481.15295	3.2
483.16873	0.6
499.16510	1.2
517.17560	3.7
518.18060	0.4
523.16534	1.6
524.17395	0.4
541.17584	1.1
559.18445	6.9
560.18829	0.7
567.14929	0.5
576.25677	0.4
603.17493	23.0
604.17987	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	603.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	12.0
71.01382	14.6
71.60528	6.2
75.00874	10.6
75.60989	4.0
83.01384	12.5
84.68198	4.3
87.00880	27.4
93.03447	5.5
99.00847	5.7
100.01656	4.6
109.02973	76.2
111.00872	21.6
115.00384	40.3
118.19216	4.1
118.99883	5.0
119.05015	6.0
121.02966	5.3
121.06491	5.3
133.02927	8.8
133.06596	6.0
135.04553	30.0
139.00395	28.6
145.02885	4.7
147.04532	9.3
149.06096	92.4
153.01872	7.2
156.00627	14.7
157.01433	44.7
159.04535	5.4
161.02443	34.8
161.06058	12.2
163.03998	8.0
165.01932	35.5
165.05539	8.5
174.01656	19.6
174.03160	10.9
175.02458	100.0
175.03989	24.6
176.04643	5.1
177.05536	29.3
179.03503	8.8
187.03970	19.4
188.04739	5.8
189.05556	39.3
193.05130	21.0
194.05179	4.7
201.05545	5.3
203.03508	5.7
203.07115	6.4
205.05157	7.8
207.03029	9.1
207.06682	6.5
213.05527	17.6
215.03435	23.5
219.03114	6.6
221.04405	5.0
229.05069	5.6
229.76489	4.4
231.06586	16.9
233.04538	10.2
237.04088	62.7
249.07703	12.7
263.05499	5.3
275.05643	39.0
293.06580	7.0
295.18198	4.6
337.05566	9.5
346.38205	4.5
365.17264	4.6
419.09872	16.3
441.10623	25.5
479.11978	39.4
497.12924	8.9
499.10718	14.4
523.10956	8.0
541.11963	11.0
559.13361	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	603.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30964	0.5
53.32136	0.5
55.01901	0.5
59.01360	1.1
71.01372	0.7
71.60897	0.8
72.99302	0.6
75.00875	1.7
82.77999	0.5
83.01404	1.1
93.03466	22.0
99.00920	1.1
107.05061	0.9
109.02985	0.8
115.00388	1.2
117.03472	0.9
118.99849	4.2
119.05035	9.9
121.02975	0.7
121.06619	1.8
125.02488	0.5
128.16982	0.6
130.04239	1.9
131.05046	8.0
133.06604	6.8
135.04532	1.5
145.02954	7.1
147.04538	16.1
148.04919	0.6
149.06082	6.8
158.03763	2.4
159.04530	6.8
161.02431	2.1
163.04010	2.1
175.02615	0.9
175.04036	2.4
177.02104	2.0
177.05577	100.0
178.05891	4.1
212.28909	0.6
221.04564	1.3
233.04578	1.3
237.04134	0.9
265.03506	8.7
277.03577	3.0
309.95065	0.6
319.04764	0.8
337.05579	1.0
491.64029	0.6
610.48187	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70348	2.1
56.72258	2.1
59.01384	17.7
61.91976	2.5
61.98817	4.2
64.07713	2.2
65.31800	2.0
66.81501	2.2
69.76598	9.5
69.77007	4.9
70.79125	2.4
71.01381	6.3
72.99315	9.0
73.02965	3.7
75.00884	51.8
85.02901	3.1
90.41726	2.4
93.03473	27.7
94.38120	2.2
94.60274	2.3
96.96004	4.1
101.02456	5.9
109.03008	3.5
113.02450	2.5
118.99866	12.9
119.05000	3.1
125.02481	2.5
133.02921	2.5
135.04523	3.7
143.77080	2.3
145.02937	6.9
147.04507	7.2
157.02969	3.8
159.04465	3.2
161.02477	14.3
173.02481	3.0
174.03329	2.8
175.04060	4.5
185.02441	46.6
186.58617	2.0
225.05533	20.8
227.03496	7.4
247.07994	2.5
248.04710	2.7
251.07257	3.4
253.02441	2.7
253.05055	55.4
253.14375	3.3
254.05568	3.6
255.02907	8.5
260.04468	2.6
261.05624	3.3
263.03500	16.1
263.06207	2.8
263.06708	2.4
264.04175	9.7
265.04999	6.0
276.04031	2.8
277.05093	11.1
279.06705	2.7
284.03299	15.2
285.04147	17.8
286.04086	2.4
289.05063	6.5
290.05777	3.0
291.02921	6.3
291.06403	4.8
301.05374	2.6
303.03006	6.2
304.03763	7.0
305.04355	3.6
307.06000	5.2
317.04642	13.5
319.06064	21.6
332.03256	4.4
333.03989	2.7
345.04010	24.6
346.04593	3.3
348.17130	5.0
353.07196	4.5
363.05243	13.7
365.11630	4.1
366.18030	3.1
369.07452	6.2
377.06793	3.0
385.07199	6.2
395.09433	3.3
397.07211	26.0
411.08862	7.7
413.10327	7.2
421.06122	4.4
422.17358	5.6
439.08243	100.0
440.08606	14.2
440.17972	4.8
457.09335	31.4
515.09900	4.6
527.14697	5.7
545.09442	23.0
603.09473	3.1
603.24731	4.6
627.67517	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	603.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.0
65.25516	0.8
71.01401	1.0
71.60844	1.0
72.99294	1.0
75.00869	1.9
83.01377	1.3
87.36980	0.8
93.03468	22.7
96.96026	1.7
109.02907	1.2
112.24390	0.8
115.00365	1.2
117.03465	1.2
118.99858	3.6
119.05039	9.1
121.06673	0.9
125.02419	0.8
127.65894	0.8
130.04250	1.5
131.05045	7.0
133.06609	5.4
135.04507	2.5
145.03027	4.8
147.04553	14.9
149.06085	6.5
158.03670	0.9
159.04552	6.0
161.02460	3.2
163.03966	1.0
175.03989	3.1
177.01964	2.3
177.05594	100.0
178.05919	3.9
221.04613	1.9
233.04596	1.5
265.03528	9.4
277.03479	2.8
312.96918	0.9
319.04526	0.9
384.05536	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78868	0.3
56.16489	0.3
59.01383	23.9
59.49176	0.3
61.98850	0.6
63.08558	0.4
63.08883	0.4
78.95908	11.2
83.04993	0.7
97.08649	0.4
122.98528	0.3
152.99637	2.0
168.04326	2.6
205.19675	1.0
224.07053	1.8
231.21208	0.6
242.07993	5.3
259.24280	4.3
303.23300	100.0
304.23657	9.1
339.20889	0.4
528.30969	40.6
529.31287	4.2
584.64655	0.4
602.27448	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	36.9
59.47318	0.8
61.98828	1.6
67.23457	0.7
69.35126	1.7
69.35522	6.4
78.95910	37.0
88.00429	1.0
89.02470	0.9
93.02145	0.7
96.15382	0.7
96.96981	0.7
97.71550	0.6
98.20706	0.9
99.74717	0.6
106.04029	0.8
122.98563	1.0
135.37442	0.7
151.64578	0.8
152.99591	5.4
168.04300	6.2
205.19690	1.3
224.06920	15.3
231.94568	0.9
242.08069	5.5
254.19969	0.9
256.60419	0.9
259.24332	5.5
273.50958	0.7
295.58780	0.8
303.23303	92.9
304.23642	8.2
428.29968	0.9
528.30988	100.0
529.31195	12.1
597.65820	0.7
611.33893	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17469	0.7
61.98834	100.0
70.03474	2.8
70.03893	1.3
74.15428	0.8
90.79333	0.8
107.26124	0.8
122.87825	0.9
182.69690	1.0
238.38870	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11534	0.5
56.97508	0.5
59.01385	46.2
61.98835	100.0
64.76211	0.4
70.76654	1.2
71.01394	3.2
72.99291	0.6
73.02960	1.3
75.00876	1.2
80.52626	0.5
85.02943	0.8
89.02463	1.1
97.06544	0.5
101.02443	1.9
112.72800	0.5
113.02448	0.9
119.05032	0.5
145.02983	1.9
161.04611	1.0
207.29817	0.5
221.04620	0.6
435.24042	0.6
453.25085	2.0
492.18390	0.5
495.26376	1.6
602.35547	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	602.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90221	1.0
59.01379	1.0
60.71947	1.4
61.98835	100.0
78.95904	1.1
80.96515	8.7
94.98103	1.5
98.19907	2.6
102.15363	1.2
164.98705	2.1
179.78621	1.1
205.52223	1.1
225.00716	1.9
295.99323	1.3
297.51956	1.1
429.78156	1.5
526.29175	1.2
603.28320	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	602.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53093	0.6
61.98835	100.0
69.48553	4.8
76.44839	0.7
79.95729	0.6
80.96519	4.1
94.06898	0.6
94.98112	1.0
98.19926	1.5
101.02444	0.8
103.49635	0.6
159.07130	0.6
161.35994	0.6
225.00790	0.7
227.24899	0.7
272.03152	0.6
482.46301	0.8
603.28534	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	602.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40105	0.3
57.63303	0.4
59.01373	0.6
61.98833	100.0
69.32333	3.4
77.49551	0.3
80.96529	1.6
94.98087	0.4
131.80296	0.4
180.95689	0.4
253.09419	0.4
303.23410	0.5
304.23709	0.6
305.24017	0.6
536.09436	0.4
579.70966	0.4
603.28424	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	602.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94104	0.2
59.01395	0.3
59.47915	0.2
61.98835	100.0
69.37873	1.2
69.38294	0.9
71.01398	0.5
78.98607	0.4
79.95740	0.5
80.96522	3.8
94.98107	0.7
101.02427	0.4
106.98169	0.3
122.97624	0.3
125.02425	0.3
148.99112	0.4
152.98701	0.3
162.02393	0.3
164.98654	0.8
196.93904	0.2
198.07562	0.2
225.00783	0.8
303.23495	0.4
304.23795	0.7
305.24081	0.4
306.24432	0.3
425.91080	0.3
603.28479	6.7
603.37653	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02594	0.4
55.01890	2.0
57.03449	0.8
58.00604	1.3
59.01385	100.0
60.01710	0.8
60.13025	0.5
61.98827	0.7
68.99841	0.5
69.03469	1.5
71.01389	27.5
72.99313	2.9
73.02956	5.9
75.00887	0.7
76.26508	0.4
78.95925	0.6
83.01398	9.0
85.02957	8.6
86.00110	0.4
87.00884	5.6
87.04518	0.7
89.02453	17.4
91.04011	6.6
95.01405	3.1
95.86529	0.4
97.02973	1.8
98.03302	0.4
98.20057	1.8
99.00883	2.5
101.02451	27.1
111.00905	1.0
113.02459	19.1
119.03517	3.9
119.05048	0.5
124.01679	0.7
125.02467	3.6
131.03535	0.7
142.02702	0.5
143.03523	5.9
149.04614	0.7
155.10837	1.4
156.69888	0.4
161.04578	11.3
171.10243	0.5
179.05600	2.6
187.74910	0.4
211.13477	0.6
235.08258	8.3
253.09309	33.7
254.09682	1.3
397.29697	2.5
493.31775	0.8
505.31741	0.9
541.33868	16.8
542.33807	2.2
559.34894	63.6
560.35248	8.5
566.74042	0.4
601.36707	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34179	2.8
69.64268	7.6
69.64698	12.8
75.00876	3.6
80.97433	2.6
91.67413	2.9
93.03474	23.1
93.17117	3.3
109.02959	11.2
111.03867	2.9
113.39339	3.3
118.99821	4.4
119.05020	9.6
125.19749	2.8
128.89200	2.9
131.05034	5.5
133.06583	6.1
147.04576	15.2
149.06062	5.2
159.04544	6.4
160.04013	31.0
175.04065	5.6
177.05568	100.0
178.05859	4.5
194.50278	3.3
197.51093	2.8
233.70213	3.0
254.29094	3.0
265.03476	5.3
287.99942	3.4
334.27448	3.4
336.07245	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	601.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	13.3
59.93800	1.0
68.78294	0.9
70.10341	4.3
71.01398	3.5
78.95925	1.9
83.01443	1.1
85.02944	1.4
89.02447	3.5
101.02444	4.3
113.02441	1.8
123.47762	1.2
130.07585	1.0
161.04549	1.7
168.06516	1.0
176.84314	1.0
235.08228	1.6
253.09285	13.8
255.23177	1.1
305.24863	100.0
306.25208	10.7
510.72192	1.1
615.91254	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37288	0.7
58.76191	0.6
59.01380	17.3
65.03008	0.9
71.01379	3.6
71.16925	1.0
71.17237	0.7
78.95896	4.7
84.21967	0.8
87.36109	0.7
89.02442	2.4
96.96004	1.5
99.92590	1.0
101.02436	3.0
101.85708	0.7
103.50894	0.7
103.94685	0.7
113.02422	1.8
114.13928	0.7
115.59979	0.7
152.99593	1.3
159.51366	0.7
161.04610	1.0
168.38536	0.7
168.67485	0.7
177.01920	1.2
179.05632	0.7
196.89568	0.9
234.84689	0.8
235.97060	0.8
248.99915	0.7
253.09309	14.9
305.24869	100.0
306.25250	7.5
553.43939	0.7
567.26868	0.9
625.68445	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.3
55.27403	0.7
58.00583	3.0
59.01381	53.4
59.38574	0.8
71.01388	51.3
71.60507	1.3
72.99306	3.5
73.02940	3.5
75.52776	0.8
80.96523	3.8
83.01394	4.3
84.64050	0.8
85.02958	8.8
87.00879	14.8
89.02448	52.8
93.62824	0.8
94.98062	1.1
95.01401	3.0
97.02956	1.5
99.00894	1.4
101.02448	26.2
113.02458	26.7
119.03505	17.7
125.02427	1.4
131.03531	4.1
135.07765	0.9
141.01924	1.5
143.03519	8.9
145.03023	0.9
149.04520	1.5
161.04556	10.7
164.98616	0.8
179.05623	19.0
186.27156	0.9
273.22034	1.1
277.21722	100.0
278.22086	6.8
291.23236	6.0
301.21600	1.6
303.23386	1.1
319.22681	3.1
323.09824	12.9
341.10870	41.7
342.11200	1.9
356.65414	1.0
601.25684	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	601.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03735	0.3
59.01381	100.0
60.01716	1.0
69.28210	2.9
69.28613	0.5
98.19841	0.7
119.05029	86.6
120.05359	1.9
277.21664	0.8
369.57855	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.2
58.00594	1.4
59.01385	76.8
61.98843	5.5
71.01389	27.4
71.05025	1.4
71.61766	1.4
72.99292	3.5
73.02659	1.0
73.02963	12.3
75.00880	2.8
83.01391	5.1
85.02951	10.2
87.00864	4.0
87.04509	1.3
89.02440	9.6
91.03999	1.3
95.01356	2.3
99.00902	2.5
99.08154	1.7
101.02449	18.5
103.04007	2.2
103.80802	1.4
113.02436	9.1
115.92073	1.5
116.92826	1.9
119.03511	3.7
125.02477	1.7
129.92380	1.1
131.03493	1.4
143.03427	2.0
161.02434	1.6
161.04630	2.2
163.06134	2.5
171.10225	1.4
203.01311	1.3
205.07307	1.6
211.13365	2.1
229.14545	1.2
251.16620	6.2
253.09360	2.5
309.27902	1.3
365.23398	2.2
421.03549	1.1
444.87683	1.2
515.28735	2.9
557.29694	100.0
558.30133	13.8
559.34167	1.3
601.24286	2.0
601.34174	1.6
602.35590	11.2
608.45825	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	11.4
60.33743	1.0
61.98821	3.5
66.03475	1.3
71.01387	3.2
73.02937	1.8
75.00886	6.6
78.95924	1.6
79.95759	2.1
81.80920	1.0
89.02452	1.2
92.05106	1.1
96.04550	1.0
96.96018	39.9
101.02456	2.1
105.65784	1.2
107.03736	1.0
114.93410	1.4
116.92835	1.7
120.04574	1.2
120.08179	2.0
122.06113	11.1
125.02416	1.0
135.04553	1.6
136.07736	1.8
138.05663	1.4
143.03685	1.2
145.02954	3.1
146.09795	1.4
148.04074	6.4
150.05582	2.7
161.02452	3.8
161.04759	2.9
162.05585	3.5
172.07672	1.4
182.06046	1.5
197.08467	1.6
211.08556	1.4
213.10342	2.6
225.06702	1.7
225.10378	2.4
226.07251	1.2
226.12564	2.3
227.03389	1.3
227.08139	1.5
227.11902	4.4
235.02472	1.1
237.03990	1.6
239.08350	10.6
239.11841	1.3
240.09062	9.1
241.09840	11.4
241.13620	1.6
251.11951	1.9
252.08971	9.3
253.09814	25.8
254.10603	22.2
255.02995	2.8
255.11273	5.0
267.11377	33.2
268.12161	37.9
269.12952	59.3
270.13297	3.9
272.72623	1.2
279.06735	1.2
285.04074	4.9
285.12491	1.5
295.10892	3.9
299.10483	2.6
299.14038	1.8
302.12885	1.6
311.10330	7.9
312.11127	5.5
313.11911	15.3
314.12698	2.1
353.23410	4.6
362.15030	3.3
390.18356	1.2
434.16870	21.4
435.17245	2.3
436.18713	2.9
460.18457	1.7
478.19849	67.8
479.20313	11.7
511.19238	1.1
552.54919	1.1
583.25104	2.3
601.26697	100.0
602.26959	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	601.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91922	1.0
58.10403	0.8
59.01385	6.0
59.22092	0.8
60.85052	0.9
61.98830	5.5
62.24187	0.7
64.86745	0.8
66.03506	1.5
66.94163	0.7
68.25474	0.8
70.09153	0.8
71.01366	2.3
75.00872	1.3
83.49516	0.8
85.02961	0.9
89.02473	1.3
94.74063	0.8
96.04576	1.3
98.19867	2.3
101.02418	1.2
120.08189	1.0
122.06137	6.8
134.06145	1.0
136.07666	1.9
147.03249	1.0
148.04045	4.0
150.05623	1.9
161.04776	1.2
161.69890	1.0
162.05627	1.8
163.03847	1.0
168.23729	0.9
182.05980	1.4
196.07622	1.5
197.08372	1.4
210.07735	1.0
211.08720	1.4
213.10330	1.2
225.06703	1.9
225.10301	2.2
226.07448	2.1
226.12672	4.3
227.11952	3.8
229.70587	0.9
238.07509	2.0
239.08264	10.5
239.11887	1.6
240.09061	7.5
241.09833	10.8
241.12239	0.9
241.13434	1.9
251.11771	1.0
252.09032	9.6
253.09834	23.2
254.10599	20.0
255.02956	2.1
255.11359	4.1
267.11407	33.3
268.12177	37.8
269.12955	54.1
270.13507	4.3
271.02444	1.3
284.03299	1.5
285.03976	2.8
295.10898	4.6
299.10315	1.9
300.02823	2.1
301.03403	1.4
311.10413	7.8
312.11124	6.4
313.11929	16.6
314.12668	1.6
315.13416	1.0
362.15067	1.9
406.17719	1.1
413.75824	1.0
434.16879	16.8
435.17178	1.1
436.18524	1.6
460.18851	1.4
478.19830	58.2
479.20367	11.8
536.07062	1.0
557.29059	1.0
583.25940	2.5
601.26697	100.0
602.26947	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71963	0.3
59.01381	7.2
64.42000	0.3
69.28796	1.5
69.29225	1.4
71.01373	0.6
73.02944	0.6
76.79944	0.3
78.95914	1.6
79.95741	3.0
81.20213	0.3
83.21699	0.3
90.49771	0.3
96.96014	100.0
97.93130	0.6
98.90710	0.3
99.00896	0.3
101.02435	0.8
112.90591	0.3
113.92632	1.0
114.93399	3.2
152.44588	0.3
156.53694	0.3
159.91621	0.3
161.04611	0.4
255.02922	0.6
284.03262	0.4
285.04004	1.0
299.14240	0.3
300.02701	0.6
301.03525	0.5
302.12881	0.4
399.23831	1.4
417.24902	1.2
459.26038	0.8
557.19366	0.4
601.18060	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.0277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01731	0.9
61.56988	0.7
61.98848	2.1
62.92586	0.6
66.76680	0.6
69.67813	4.0
71.34877	0.7
72.99319	1.2
73.50063	0.7
74.12122	0.7
115.02522	6.8
117.00455	8.1
132.98213	2.4
141.00464	1.1
156.99965	1.3
157.03590	2.3
159.01506	74.5
160.01630	4.3
174.99261	15.9
176.98128	9.9
184.34651	0.7
201.02565	26.1
202.02731	1.0
217.00313	51.3
232.98421	1.2
259.01758	3.1
274.99551	2.9
283.01462	0.7
301.02679	61.7
302.02878	7.1
314.98694	1.3
315.03488	0.7
317.00455	41.7
318.00717	3.3
332.98404	1.4
359.01501	19.2
360.01727	2.1
374.99542	1.9
459.01636	14.5
460.02026	1.6
498.99652	2.1
541.00610	37.8
542.00659	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	601.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.5
64.39867	2.2
69.03490	2.5
71.01377	11.6
75.00879	9.2
76.13011	2.0
83.01389	7.2
85.02945	3.8
87.00887	20.5
93.03475	11.0
96.96011	2.6
99.00907	10.1
108.02206	2.6
109.02976	3.5
111.00895	8.9
113.02464	3.2
115.00385	100.0
117.03489	2.9
119.05022	32.9
123.04496	4.1
125.02435	3.6
131.04970	2.5
133.02960	6.0
133.06577	11.9
134.03760	3.1
135.04488	5.3
137.02515	3.3
139.00369	5.2
145.02963	7.8
147.04515	9.1
151.03923	2.6
156.00537	2.6
157.01416	7.7
159.04538	3.3
161.06041	3.1
171.04567	8.3
173.06133	3.9
174.01720	18.2
175.02480	56.8
175.04008	11.5
175.05368	2.2
177.05571	20.8
185.06052	2.4
187.04045	5.5
187.07649	3.5
189.05638	10.3
191.07147	20.0
203.03610	4.1
206.06027	2.9
207.06670	6.5
215.07126	6.5
216.04138	4.1
217.05055	9.6
218.05905	14.9
221.04506	4.3
231.06564	3.3
235.06041	3.2
259.06073	16.8
261.03976	7.0
266.10434	2.1
291.08771	85.5
292.09210	6.1
293.06842	2.2
425.11157	3.5
463.12534	3.0
497.13037	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78438	0.2
61.98832	100.0
62.98539	0.3
65.10623	0.2
70.25714	0.2
80.96529	1.0
87.00883	2.5
94.98129	0.2
95.99668	0.2
114.31060	0.2
288.80844	0.2
302.22250	0.6
303.22391	0.4
345.83771	0.2
401.88892	0.2
519.89294	0.2
533.23291	0.2
601.26636	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	600.303
Annotation	Unknow
Peak:m/z	Relative Intensity
61.29185	0.5
61.98834	100.0
69.29993	1.1
69.30396	3.8
70.96447	0.4
75.07912	0.5
87.00888	5.6
98.20659	1.1
153.68369	0.4
163.03278	0.5
184.30653	0.5
255.89804	0.6
601.26776	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10588	0.6
59.55849	0.7
61.98837	100.0
69.96724	3.7
77.63495	0.8
114.55183	0.6
132.08405	0.8
139.71512	0.7
155.34604	0.7
175.41815	0.7
178.61836	0.7
179.46167	0.8
324.48111	0.7
560.93573	0.7
625.61957	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63808	0.3
55.01878	1.7
57.03466	0.6
58.00595	1.0
59.01381	100.0
60.01715	0.6
69.03462	0.7
70.91112	0.8
71.01385	21.9
72.01703	0.4
72.29585	0.3
72.99315	2.4
73.02948	3.5
81.03467	0.4
83.01392	6.4
85.02956	6.4
87.00877	3.5
89.02451	14.7
91.03996	3.9
95.01392	2.2
97.02972	1.6
99.00889	1.4
101.02450	20.8
102.02785	0.7
104.47913	0.4
105.17674	0.3
111.00863	0.7
113.02459	12.9
117.49622	0.4
119.03497	3.8
124.01693	0.3
125.02450	2.1
126.77732	0.4
131.03519	0.9
142.02771	0.3
143.03494	2.6
143.88539	0.3
157.08809	0.3
161.04567	10.2
176.91910	0.3
179.05653	1.8
184.82932	0.3
235.08234	4.2
253.09288	20.8
254.09569	0.7
255.07701	0.5
266.10556	0.4
292.84805	0.4
299.05881	0.3
301.87335	0.3
387.15768	0.4
395.28198	0.8
409.58911	0.4
449.16162	0.7
457.24258	1.3
475.25430	3.1
478.19754	1.0
491.30219	0.7
539.32196	3.3
540.32208	0.4
554.12427	0.4
557.33295	56.3
558.33661	6.1
599.25482	0.7
629.90033	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46658	1.0
55.01875	1.3
57.03440	1.6
58.00587	0.9
59.01385	100.0
59.94518	0.9
61.98830	2.3
69.03458	1.4
71.01392	25.0
71.41076	1.2
72.99312	3.1
73.02956	5.2
75.00874	2.3
83.01393	5.9
83.05029	1.0
85.02969	5.6
87.00898	3.6
89.02454	14.4
91.04015	5.0
91.71500	1.0
95.01400	3.6
97.02969	2.0
99.00866	2.5
101.02452	22.8
111.00900	1.1
113.02462	15.7
119.03505	3.2
125.02448	3.5
131.03519	1.1
143.03517	3.0
145.02965	1.0
157.08701	3.8
161.04582	9.2
163.06187	1.2
169.12341	1.3
179.05649	1.6
183.10272	5.4
185.11789	2.2
197.11867	14.3
223.13387	2.3
226.40639	1.0
235.08228	6.6
253.09326	27.1
254.09570	1.9
318.86877	1.0
457.24533	1.7
475.25443	2.4
539.32300	4.3
557.33356	55.2
558.33838	5.9
591.67963	1.2
599.24786	1.6
599.34827	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44476	0.5
59.01097	1.2
59.01379	18.6
61.98816	0.8
70.14008	2.1
71.01379	4.5
76.72361	0.5
89.02438	2.7
101.02437	3.7
113.02425	2.2
119.03501	1.1
139.04124	0.7
152.86063	0.6
161.04529	1.3
235.08321	0.8
253.09309	16.5
259.24353	1.1
303.23294	100.0
304.23593	7.5
311.02606	0.7
335.22998	0.8
340.79410	0.9
369.42514	0.7
530.07306	0.7
599.39685	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27025	0.5
53.38615	0.5
55.01891	1.7
57.03462	1.2
58.00594	1.4
59.01382	100.0
60.01709	0.6
60.97160	0.5
61.98834	5.1
69.03461	1.9
69.26481	5.5
71.01385	30.4
72.99310	3.3
73.02953	5.7
75.00889	1.4
83.01389	6.9
83.05066	0.6
85.02955	8.9
87.00882	5.3
88.87199	0.5
89.02448	20.5
91.04006	5.2
95.01388	3.7
97.02943	2.5
98.19813	1.1
99.00926	1.4
100.63534	0.5
101.02447	29.9
111.00890	1.1
113.02454	16.9
113.54810	0.5
115.04090	0.5
119.03517	5.7
124.01621	0.7
125.02457	2.9
131.03548	0.8
143.03476	5.1
145.02892	0.6
149.04599	0.8
161.04565	12.6
162.04932	0.6
167.37721	0.5
179.05621	3.2
197.11925	0.5
204.71605	0.7
235.08243	9.4
253.09285	45.4
254.09674	1.9
265.71796	0.5
280.86978	0.5
295.02560	0.5
295.10239	0.9
307.17642	0.6
316.95111	0.6
343.85437	0.5
352.21030	0.6
431.22803	1.3
440.06769	0.6
539.32361	8.2
539.40155	0.9
540.32788	1.1
557.33301	46.8
558.33655	5.5
599.24780	1.1
599.34497	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	10.0
61.98835	13.9
69.27929	14.2
69.63651	1.3
71.01395	2.7
73.02956	1.8
75.00877	4.8
85.02971	2.7
90.92281	1.3
96.96000	3.9
98.20589	2.7
101.02448	4.9
113.02364	1.6
119.05056	1.5
145.02959	2.7
148.05315	1.7
149.06085	3.9
150.06885	44.8
151.07190	1.9
162.06827	1.9
163.07666	29.7
164.08362	10.2
169.12376	1.7
171.10318	12.8
177.09125	1.8
178.10031	1.7
179.10788	33.8
282.17679	1.6
327.21948	2.2
332.19827	4.5
333.20581	4.2
336.19418	3.9
345.11340	1.4
350.20978	60.6
351.21750	55.5
352.21985	4.5
375.21753	2.0
401.21692	10.1
495.26044	2.1
513.27185	4.3
513.34930	1.5
555.28149	100.0
556.28577	11.9
599.21149	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	598.36
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.1
61.98833	100.0
68.25977	1.6
70.92017	4.2
79.81998	1.8
99.24742	1.8
139.71626	2.0
158.23297	2.3
209.12015	2.1
215.44926	1.7
314.20242	2.3
395.63446	1.9
439.27820	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	599.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.3
55.79462	0.8
57.03442	1.4
58.00589	2.5
59.01383	95.1
61.98835	16.4
65.79154	0.8
67.01894	1.5
69.03457	1.8
71.01389	33.1
72.99313	4.9
73.02953	31.1
75.00883	2.6
75.51548	0.8
81.03463	1.1
83.01393	5.8
83.05025	0.9
85.02959	14.9
86.00094	2.8
87.00893	12.8
87.04536	4.1
89.02451	20.4
92.99812	1.1
93.03471	10.5
97.02986	1.2
97.38197	0.8
98.19899	1.8
99.00906	2.5
99.04536	1.2
99.50630	1.1
101.02448	35.7
102.37119	0.8
103.04018	24.0
109.02960	1.2
113.02482	5.6
115.04013	4.9
117.03474	37.3
117.07088	2.4
118.03794	1.2
119.03517	10.8
121.03019	1.5
123.04502	1.0
125.02447	4.9
127.04002	3.4
131.03520	9.8
135.04535	1.2
143.03522	11.7
145.02963	2.9
145.05040	6.1
145.06596	12.3
151.03967	1.9
155.03503	1.0
161.02428	2.5
161.04553	1.9
163.06133	50.6
173.06036	5.0
175.07640	1.5
177.05579	42.1
203.05580	2.3
205.07135	14.1
205.08746	11.3
206.09048	1.2
247.08173	8.8
249.07687	100.0
250.08054	5.1
263.09225	4.8
265.09305	1.7
291.08688	9.4
335.11389	1.3
401.21799	1.7
409.61823	0.9
437.14627	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10235	10.7
61.35365	10.6
63.15747	9.0
69.44987	73.6
69.45380	17.5
75.00862	10.8
100.00422	51.5
101.79312	8.4
109.22721	8.4
117.03466	12.9
119.05027	100.0
130.06660	11.3
142.06625	43.6
145.02940	60.4
148.17358	10.0
157.07753	21.1
163.07738	14.2
178.43172	9.4
186.05602	31.7
229.06123	88.8
349.11884	71.9
553.17975	80.4
597.29596	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	597.3874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06205	0.4
53.88413	0.5
59.01382	1.9
60.51696	0.4
61.98835	2.8
65.49698	0.4
71.01395	1.5
75.00877	2.4
81.03465	12.1
82.03741	0.6
83.05032	39.3
84.05370	0.4
85.02944	0.6
96.96069	0.6
100.07683	4.6
104.98404	0.5
108.04586	0.8
109.02956	0.6
119.03615	0.5
119.05025	0.6
125.56396	0.4
126.05581	1.0
128.41769	0.4
135.04518	1.3
145.02992	1.1
161.02501	1.0
162.81186	0.4
199.18158	6.8
207.15024	0.9
218.35712	0.4
218.74077	0.4
224.17676	0.9
225.16093	8.0
227.11949	1.3
243.17148	20.2
252.45918	0.4
269.15018	1.0
271.10773	1.0
286.03842	0.5
300.58908	0.4
309.21805	1.4
353.20795	5.2
401.78854	0.4
433.32260	0.6
451.33032	2.5
469.34027	14.0
470.34146	1.4
493.63873	0.5
495.22910	0.8
502.23660	0.5
553.23279	0.8
579.37823	3.0
597.38702	100.0
598.39032	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	597.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	10.6
61.98520	2.4
61.98837	42.8
71.01391	3.7
71.61591	1.5
72.00925	6.8
72.83379	1.3
73.02953	2.6
75.00873	6.0
78.95900	2.0
79.44824	1.2
80.39407	1.2
85.02943	1.2
93.03487	2.0
96.96013	3.8
100.00408	18.7
101.02456	3.9
113.02447	1.7
115.92033	1.8
116.05091	12.4
116.92844	3.7
117.03481	11.1
119.05039	76.5
120.05366	2.2
130.06607	5.3
135.04504	2.0
142.06633	32.4
143.06949	1.8
144.04562	3.6
145.02960	55.0
145.04108	2.9
146.03249	1.7
147.04352	1.8
157.07698	2.9
158.06100	6.0
161.02463	2.9
163.03981	2.9
163.06076	2.3
176.07176	1.9
185.07211	2.7
186.05624	16.7
200.07182	1.7
201.05615	1.8
201.11259	3.1
202.05113	5.2
202.66869	1.5
203.08292	6.0
219.83960	1.4
229.06187	87.3
230.06471	2.3
287.11884	3.3
305.12872	2.0
331.10995	2.5
349.11966	100.0
350.12378	6.9
381.22821	2.9
399.23987	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	597.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
69.67957	0.8
70.56530	0.8
70.76305	0.8
70.76649	1.8
75.00883	2.4
84.20696	0.8
93.65347	0.9
98.19963	1.2
108.02200	1.2
108.68119	0.8
109.02962	100.0
110.03281	2.2
118.99861	2.8
121.02969	1.0
133.02945	1.2
135.04515	1.9
145.03023	1.0
147.04533	1.3
149.06068	2.8
151.03984	0.8
159.04471	0.7
161.02449	7.8
163.77502	0.9
175.03984	1.3
179.03493	1.6
191.03476	3.3
192.04221	1.7
193.05067	8.8
194.05504	1.1
237.03955	1.3
281.02997	2.4
397.98361	0.8
495.83939	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89327	2.7
59.01375	10.4
71.01380	3.2
72.00914	9.2
75.00867	13.3
78.50603	2.5
88.32120	2.9
89.02441	3.3
93.03483	3.5
93.16079	2.9
100.00408	46.4
106.05985	2.6
113.02451	4.8
116.05079	11.8
117.03453	10.7
119.05030	86.7
120.05345	3.1
123.94547	3.1
130.06624	6.6
135.58327	2.9
142.06618	44.5
142.07709	3.4
145.02957	57.0
146.06064	3.4
157.07689	14.3
158.06139	3.1
159.09256	8.3
163.07639	36.7
181.07693	4.9
186.05605	23.7
229.06172	95.4
230.06551	4.9
249.85417	3.3
264.83945	3.0
283.70642	3.2
305.12891	10.0
330.20401	2.8
349.11929	100.0
350.12216	6.6
389.14493	6.5
495.22522	9.7
511.17352	8.4
553.17847	87.2
554.18585	7.9
597.29272	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	595.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09396	0.8
57.03439	2.5
59.01369	2.5
61.98820	1.2
69.72984	4.5
77.48119	0.8
83.01380	1.9
95.04984	1.9
113.01380	1.0
115.26566	0.8
135.04504	2.8
167.14415	14.6
181.16002	1.2
183.17604	1.4
189.16525	1.9
191.14417	8.5
195.17563	2.8
197.19115	51.5
198.19409	2.5
199.17073	5.2
207.17499	3.6
209.15489	21.4
211.13416	2.2
213.18584	2.6
223.17036	2.5
225.18533	1.9
227.16573	4.4
229.18115	4.1
233.15471	48.9
234.15804	3.9
237.18398	1.1
243.19641	100.0
244.19978	4.5
245.19322	0.9
247.16997	1.7
249.18556	1.3
251.16544	25.6
251.19492	1.6
251.20145	1.4
252.16983	1.5
255.23247	2.2
265.17953	1.7
267.19653	12.3
268.19836	1.2
277.14444	3.6
277.21417	1.3
279.16037	1.1
293.17242	1.1
295.15472	12.8
325.16562	1.4
339.18103	5.8
351.18137	43.7
352.18469	3.6
365.19891	2.1
369.19022	5.2
390.99301	0.9
595.38544	92.4
596.38971	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	597.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
67.75500	0.7
69.32352	6.4
71.01381	0.9
75.00903	0.8
75.62988	0.6
77.66250	0.6
79.19270	0.7
93.03449	1.3
98.19787	1.3
108.02188	1.8
109.02962	100.0
110.03294	2.4
118.99893	2.3
133.02942	0.8
135.04506	0.9
147.04507	1.1
149.06104	2.2
150.51117	0.7
152.10504	0.7
161.02444	4.8
177.05550	2.7
179.03477	1.6
191.03542	1.8
193.05089	8.2
237.04083	2.5
281.03033	2.3
453.36221	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.289
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
65.22247	0.8
78.95909	64.9
80.91663	3.5
85.73799	0.8
96.96968	11.7
152.99594	100.0
171.00615	2.8
217.25801	0.9
223.00116	10.7
241.01204	25.9
259.02182	2.3
279.23297	66.1
280.23566	4.6
315.04868	17.9
333.05457	1.2
361.70236	1.1
487.06909	1.1
595.28882	94.7
596.29205	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43578	1.0
57.02863	0.9
57.03442	1.5
59.01371	3.1
60.32102	0.9
61.98839	1.6
63.03831	1.2
66.01754	1.0
67.16284	0.9
71.17091	2.2
78.95907	1.9
83.01395	1.8
116.92860	7.0
145.02988	1.0
167.14507	5.2
181.15977	4.8
189.16428	1.1
191.14430	3.4
195.17509	3.0
197.19127	1.4
205.16034	1.9
209.15556	7.3
215.16560	16.2
223.17104	7.7
227.16495	1.6
229.18079	21.9
233.15500	15.7
237.18642	7.2
241.18208	1.9
243.19667	30.3
247.17081	11.9
251.16570	12.4
261.18634	10.4
265.18079	6.1
279.19626	4.9
295.15768	4.9
309.16971	3.4
323.18536	3.0
351.18045	2.7
365.19608	1.9
369.19083	4.9
370.19553	1.1
379.21405	1.8
383.20743	4.6
397.22232	1.5
512.60938	1.1
563.33618	1.4
595.38556	100.0
596.38904	13.2
610.68658	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95552	0.9
59.01385	100.0
61.98827	3.8
69.83384	4.1
75.00887	1.4
78.70429	0.9
80.44976	0.8
93.05513	0.9
101.02390	1.3
113.02439	1.0
119.46696	0.8
127.05567	0.9
136.26262	0.9
146.96243	0.9
203.32512	1.0
241.15984	3.3
257.19037	2.1
269.19156	1.6
283.75925	1.0
327.19522	1.0
331.19177	59.1
332.19608	5.2
415.21201	1.3
448.35791	1.0
475.23398	2.0
535.25299	3.3
595.21826	3.0
595.30457	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	595.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	3.3
59.01382	100.0
63.03697	1.6
66.03480	1.6
69.03458	4.2
69.43324	5.9
69.43747	7.3
71.01385	23.3
71.52092	1.6
72.99317	1.7
73.02949	8.2
73.42455	1.5
73.71412	1.5
75.00882	3.4
78.95463	3.5
78.95906	52.5
83.01382	5.7
85.02962	23.0
89.02450	3.0
93.03465	2.0
95.01411	3.5
96.96941	1.8
97.02950	6.9
99.00886	12.8
101.02445	15.4
109.02947	3.3
111.00858	6.3
113.02448	42.2
118.00457	1.7
125.02441	9.6
129.01997	2.1
131.03503	1.9
137.02431	3.0
143.03522	15.7
152.99551	8.6
155.03491	2.4
161.04584	2.1
171.00607	7.1
200.10310	1.6
215.05501	3.6
225.14865	1.7
245.06645	3.1
275.07608	6.5
291.17993	4.8
333.19205	5.2
357.18985	2.3
405.21295	26.4
406.21555	2.3
423.16760	3.2
423.22336	40.0
424.22592	4.8
430.16229	1.6
447.22559	15.3
465.23425	19.3
594.30481	3.0
595.30817	34.1
596.31360	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	595.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27270	1.2
55.01891	1.3
57.03448	2.7
58.75975	1.3
59.01382	68.6
61.98823	3.4
62.91307	1.0
63.90018	1.0
69.03448	2.7
69.26456	7.1
69.26884	5.0
71.01392	19.5
71.04993	2.0
72.99309	1.3
73.02945	5.4
75.00883	2.0
78.95910	100.0
81.03477	1.4
83.01387	4.8
85.02957	16.2
87.00890	2.7
88.96339	1.2
89.02437	2.5
92.47530	1.3
95.01367	3.4
96.96003	4.1
96.96973	9.6
97.02952	4.3
99.00890	9.8
101.02464	14.6
109.02934	5.1
111.00865	3.3
113.01690	2.1
113.02447	27.5
121.02994	1.4
125.02425	5.3
127.03973	1.5
131.03522	1.6
137.02425	2.4
143.03496	10.2
148.55009	1.3
151.03993	1.9
152.99609	12.7
153.99849	2.4
159.26091	1.3
161.04558	2.4
171.00639	19.6
172.01012	2.8
194.05963	1.3
215.05614	4.1
220.11499	1.1
245.06602	2.7
268.09528	2.9
269.09784	1.6
275.07703	3.8
285.03952	1.8
291.17987	3.7
333.19058	1.5
405.21326	14.2
406.21613	1.5
423.22415	25.0
445.57156	1.3
447.22488	8.3
465.23489	10.5
535.31482	1.5
594.30426	12.0
595.30756	58.3
596.31207	1.6
620.32928	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.6
61.98842	5.3
69.35121	1.3
69.35528	4.3
70.33814	0.6
71.01384	2.0
73.02948	0.9
75.00865	2.0
85.02946	0.8
89.02458	1.8
93.03471	2.8
101.02453	1.9
109.02932	0.8
111.57149	0.7
113.02436	0.8
119.05019	2.6
123.08128	0.6
125.02423	1.4
135.04523	0.9
145.02982	1.7
151.00409	0.7
187.03947	0.8
197.06085	0.8
197.11893	6.0
211.04033	1.1
223.04054	0.8
225.05556	1.1
227.03603	2.9
228.03842	1.0
229.04919	0.8
239.03395	0.7
241.05025	2.7
253.05064	2.1
255.03023	4.9
255.05630	0.8
255.06421	0.7
256.03485	1.9
257.04224	0.8
269.04529	5.4
281.04489	0.9
284.03369	4.4
285.03976	10.1
286.04300	3.0
287.04633	1.0
295.77094	0.6
296.30490	0.8
297.04077	3.9
298.04782	2.7
301.03531	0.6
310.04742	0.9
311.05701	3.9
330.04004	2.1
332.06888	2.2
333.07678	4.4
337.03378	1.0
347.09229	11.1
348.09622	1.2
360.06213	0.9
361.07236	4.2
375.08722	13.8
376.09470	3.4
389.06757	1.8
397.13550	4.1
402.07349	0.6
403.08328	2.0
404.08929	10.3
405.09763	16.2
406.10040	1.8
415.14313	1.9
431.09512	2.1
448.07803	4.9
449.08780	8.1
450.09045	0.7
457.10947	1.5
551.15607	6.1
551.30426	1.8
552.15674	0.7
595.14606	100.0
596.15009	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	595.1308
Annotation	Peltatoside
Peak:m/z	Relative Intensity
51.32390	0.9
55.20406	0.9
57.27502	1.0
59.01372	1.0
61.98814	2.0
63.02435	1.1
64.03860	0.8
65.00322	1.5
69.60623	1.7
69.61039	3.6
75.24201	0.7
98.19881	1.6
106.06590	1.2
106.19452	0.9
107.01406	2.5
108.02154	1.6
109.02946	3.0
119.50768	0.8
121.02950	2.9
134.88846	0.8
135.00891	0.8
137.02408	1.2
148.01631	1.6
150.05577	1.1
151.00371	10.8
161.02423	1.6
163.00345	2.5
164.01218	0.9
178.99854	5.9
185.02435	1.3
187.04001	1.7
190.99754	1.1
199.03915	1.2
203.03540	1.4
226.02666	1.5
227.03499	2.4
229.05078	1.2
240.04134	1.1
243.02971	10.1
245.04588	1.3
252.04251	1.0
254.02325	1.8
255.02983	25.0
256.03268	1.7
267.06613	0.9
271.02481	49.4
272.03079	3.3
273.03952	1.2
279.03168	1.3
280.03708	2.9
281.04535	1.6
293.04611	1.7
299.02197	1.0
300.02762	89.5
301.03506	37.4
302.03848	1.8
370.11398	1.0
430.09875	1.1
431.07208	3.9
459.37180	0.8
595.13055	100.0
596.13336	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	595.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04804	6.0
59.01385	5.8
71.60766	4.7
71.61292	11.6
72.99320	7.7
75.00892	19.2
93.03468	24.6
109.02968	85.4
110.03345	7.8
110.98701	7.0
119.05040	15.4
131.04996	11.3
133.02963	7.5
133.06619	47.4
135.04538	10.8
139.29930	5.4
145.03012	15.0
147.04526	17.7
149.06049	6.8
159.04518	12.0
160.04037	9.2
160.05331	6.3
161.02484	21.8
175.03983	10.3
175.07675	8.6
177.01939	9.6
177.05574	100.0
178.05957	7.6
187.03871	5.3
223.25510	5.7
237.04013	5.9
265.03485	10.1
267.06345	6.6
297.09711	10.5
327.07880	5.7
332.36429	6.2
393.92117	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	595.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.2
61.91772	1.0
69.50111	2.7
69.50525	4.7
71.01365	1.2
75.00892	1.1
89.02431	2.5
93.03467	5.4
94.32185	1.0
98.20600	1.9
100.35080	1.0
101.02477	1.5
103.32548	0.9
108.02184	1.1
109.02948	1.1
109.12873	0.9
109.75011	1.0
113.02440	1.7
119.05013	3.8
145.02948	1.2
151.00359	1.4
161.02429	3.1
177.01892	2.7
183.04521	1.6
195.04448	1.4
203.99258	1.1
211.04001	2.4
213.05518	1.8
224.04836	1.3
225.05478	2.7
227.03517	16.6
227.06966	1.7
228.04033	2.5
229.05190	1.1
236.53902	1.0
237.05705	1.1
239.03285	1.2
239.07176	1.7
240.04230	1.4
241.05075	2.2
253.05064	18.8
254.05647	2.3
255.02980	15.3
255.06554	2.5
256.03574	2.8
257.03775	1.5
267.03143	6.4
267.05588	1.3
269.04645	2.7
270.05148	1.2
271.06131	2.6
281.04483	4.4
282.05197	4.3
283.02478	8.9
283.06116	4.5
284.03244	10.9
285.03989	14.5
286.04187	3.5
287.04672	2.1
295.02441	1.2
297.04138	1.2
310.04819	23.2
311.05609	37.3
312.06027	2.4
332.06821	3.3
333.07397	1.3
345.07648	1.2
347.09216	27.0
348.09631	2.0
361.07114	2.4
375.08670	4.5
376.09424	3.7
389.06613	10.0
389.11444	1.5
390.07034	1.1
404.08990	18.7
405.09756	8.3
431.09888	7.5
448.07834	2.1
449.08554	4.9
457.11420	31.6
458.11935	3.2
501.09698	1.3
551.15570	18.6
552.15948	1.5
595.14642	100.0
596.14935	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	594.3052
Annotation	HAMI3379
Peak:m/z	Relative Intensity
54.54169	0.3
59.01384	2.0
61.98822	0.6
62.96408	0.5
63.34129	0.3
70.38004	1.0
78.95911	100.0
96.96980	8.4
104.67441	0.4
113.57816	0.3
122.98509	0.9
127.11298	0.8
150.98012	0.6
152.99606	17.5
168.13957	2.1
171.00659	20.8
173.71487	0.4
181.22556	0.4
194.05896	1.3
197.15536	0.6
214.04935	0.5
214.80872	0.4
238.18059	0.5
268.09540	3.4
285.04019	1.4
286.04321	0.5
312.12106	0.6
366.16827	1.0
496.23221	0.9
532.30719	0.7
534.28625	0.8
567.71265	0.4
576.28943	0.5
594.30481	67.8
595.30817	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	595.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00883	2.0
93.03467	2.2
95.46802	0.4
108.02183	1.3
109.02962	100.0
110.03316	2.9
118.99896	4.0
119.05039	1.2
121.02931	0.5
123.04491	0.5
131.05078	0.8
133.02991	1.4
133.06619	0.7
135.04529	1.2
145.02870	0.5
147.04552	3.2
149.06084	3.8
161.02463	8.2
175.04008	0.7
177.05565	9.7
178.05954	0.7
179.03555	0.6
191.03529	4.0
192.04320	0.8
193.05069	11.4
237.04077	3.7
281.03003	4.5
372.95450	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22762	13.5
59.01377	70.9
61.26366	10.4
61.80131	9.1
61.98827	23.3
71.01387	24.7
75.00888	26.5
80.60172	10.0
83.01389	18.7
89.02446	11.7
93.03490	10.5
101.02470	13.9
111.00877	17.6
113.91188	10.2
121.03028	17.3
123.00882	10.9
125.02407	25.5
145.02930	26.4
159.04591	12.7
172.27074	9.5
173.02507	18.8
174.34486	11.1
185.02414	11.1
227.03543	41.4
255.03046	87.0
284.03226	91.3
285.04019	84.0
293.17508	18.0
333.20767	17.0
394.10403	10.3
419.20657	29.4
429.09509	27.8
514.48712	10.6
517.27704	10.9
557.33069	22.8
593.14325	100.0
593.30945	22.2
594.14343	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	593.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87268	6.5
59.01388	100.0
61.98853	9.8
70.45654	15.5
70.46052	10.1
71.01386	21.6
75.00853	7.2
79.95729	7.6
80.96534	17.6
85.02924	10.6
101.02418	8.1
106.25904	7.2
121.02948	8.6
124.01596	7.9
145.02953	10.7
148.73088	7.2
194.85410	7.7
195.13779	6.6
227.03526	35.2
255.03006	56.7
256.03427	6.9
271.22742	31.1
274.45621	7.7
284.03250	60.4
285.04037	72.6
286.04379	9.5
326.48520	7.2
415.27094	69.1
429.09732	17.1
433.28040	17.3
457.28067	67.9
475.29089	26.7
489.50485	9.9
525.50507	7.1
563.28418	9.0
593.14532	62.5
593.26404	43.0
594.14722	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	593.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65675	1.0
59.01371	2.5
68.99590	1.6
71.16826	1.8
71.17193	1.6
75.00857	1.6
78.16357	1.0
78.95908	68.3
96.96972	11.4
121.02938	2.2
127.32710	1.0
152.99599	100.0
153.99992	1.5
171.00674	3.0
216.15498	1.2
220.11194	1.0
223.00110	11.5
227.03461	1.9
241.01175	27.6
255.03033	5.5
256.03458	1.2
259.02261	1.7
277.21716	46.2
278.22012	4.0
284.03210	5.3
285.03976	5.7
315.04901	19.5
429.09543	1.2
549.34308	4.8
593.14850	4.9
593.27325	95.2
594.27551	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	593.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22762	13.5
59.01377	70.9
61.26366	10.4
61.80131	9.1
61.98827	23.3
71.01387	24.7
75.00888	26.5
80.60172	10.0
83.01389	18.7
89.02446	11.7
93.03490	10.5
101.02470	13.9
111.00877	17.6
113.91188	10.2
121.03028	17.3
123.00882	10.9
125.02407	25.5
145.02930	26.4
159.04591	12.7
172.27074	9.5
173.02507	18.8
174.34486	11.1
185.02414	11.1
227.03543	41.4
255.03046	87.0
284.03226	91.3
285.04019	84.0
293.17508	18.0
333.20767	17.0
394.10403	10.3
419.20657	29.4
429.09509	27.8
514.48712	10.6
517.27704	10.9
557.33069	22.8
593.14325	100.0
593.30945	22.2
594.14343	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	593.245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	8.8
60.99305	16.5
61.98841	1.2
67.02900	0.9
67.96174	0.9
70.58394	2.9
71.01389	1.0
87.05589	1.0
88.98811	100.0
89.99136	0.9
100.47305	0.9
115.46983	1.0
117.03445	1.1
145.02948	2.7
160.69725	0.9
161.02521	1.0
185.06146	1.1
227.03539	6.4
229.05060	1.3
241.04964	1.1
255.02995	12.8
256.03650	1.8
257.04572	1.5
262.37042	1.1
281.48691	1.1
284.03320	11.9
285.04065	19.2
286.04474	1.3
399.23544	1.2
417.25021	1.8
593.13129	13.5
593.28717	1.1
594.13910	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.8
59.87445	1.3
60.07159	1.5
67.26000	1.5
74.41632	1.6
78.11710	1.5
78.95470	3.2
78.95910	60.0
93.99028	1.4
96.96975	12.6
98.19827	3.9
136.31407	1.4
138.45943	1.4
140.08127	1.7
152.99600	100.0
166.10553	1.4
171.00642	2.6
195.20483	1.4
213.41783	1.8
223.00076	9.3
227.03540	2.9
241.01178	28.7
255.02939	5.1
263.72437	1.6
277.21732	47.2
278.22012	2.4
284.03296	7.5
285.03964	9.2
315.04883	15.9
593.13983	7.4
593.27307	82.5
594.27826	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	593.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81618	1.4
59.00001	1.5
59.01392	11.6
60.93746	1.7
60.99316	18.3
61.32454	1.3
61.98828	2.4
71.01402	1.9
77.82441	1.3
83.01367	1.6
88.24293	1.4
88.98814	100.0
89.02501	1.7
93.03478	1.6
138.09351	1.5
145.02997	4.6
159.04517	2.0
185.02370	1.8
185.06027	1.7
186.82573	1.3
187.04092	2.2
191.66945	1.5
192.83969	1.7
211.03859	2.2
211.07578	2.4
215.08379	1.5
227.03549	13.5
229.05075	3.0
255.03015	21.2
256.03601	2.7
257.04605	2.7
283.02411	1.8
284.03284	28.3
285.04041	42.3
286.04559	2.8
371.11453	2.6
429.09467	2.2
431.25922	2.0
447.09055	1.5
451.16214	1.5
593.13159	28.1
594.12915	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	593.1516
Annotation	kaempferol-3-O-rutinoside
Peak:m/z	Relative Intensity
55.53236	0.4
59.01371	1.3
63.02410	0.6
70.81314	0.6
70.81616	0.6
72.99353	0.6
75.00872	5.5
80.94109	0.5
93.03486	1.8
96.96026	1.6
97.57076	0.5
108.02177	0.7
109.02959	5.5
109.92433	0.5
113.02475	0.5
117.03485	1.1
119.05103	0.7
121.02953	6.3
123.04528	1.1
125.02474	0.7
135.04520	1.2
141.03485	0.6
143.04987	0.5
145.02980	5.7
147.04482	1.2
151.00351	1.7
157.02937	1.0
158.03659	0.6
159.04497	3.6
161.02483	4.0
167.05141	0.5
171.04561	1.2
172.83032	0.5
173.02446	13.4
174.03261	2.7
175.04042	2.4
183.04480	2.7
184.46510	0.5
185.02446	13.6
185.06047	1.1
186.03065	0.8
187.04007	2.3
197.06136	0.7
198.03233	1.5
199.03979	0.6
203.03505	1.9
209.06015	0.8
211.04012	1.7
213.05464	1.0
225.05537	3.1
227.03624	2.9
227.07146	1.2
229.05026	0.6
237.05588	1.5
238.06215	0.7
239.03569	0.9
239.07077	0.7
241.05017	1.1
242.05688	0.5
243.06590	5.5
248.04794	0.5
249.05710	0.8
253.05090	8.3
254.05809	4.0
255.02998	25.8
255.06564	4.8
256.03497	1.6
256.17761	0.5
257.04672	0.5
260.04694	0.6
261.05518	2.4
262.06308	0.8
265.05099	1.3
266.05832	1.0
267.06656	1.8
269.04623	0.8
271.06406	0.6
276.04391	0.9
277.05148	3.1
278.05774	1.4
279.06586	5.1
280.03824	1.2
280.06763	0.5
281.04623	1.4
281.08240	1.9
283.02502	49.9
284.03070	5.8
285.04059	100.0
286.04330	5.9
289.05045	1.6
290.05750	1.6
291.06699	1.0
292.03812	0.5
293.04584	2.8
293.07837	1.0
294.05356	3.6
295.06070	1.5
297.03857	0.6
301.04935	0.8
305.04504	1.1
306.05307	2.1
307.06131	14.8
308.06375	0.9
319.06137	5.4
320.06586	0.7
327.04996	3.6
361.21072	0.5
387.08563	1.6
403.11810	2.0
411.08725	0.6
429.09802	30.0
430.10114	3.6
431.09811	7.7
432.10034	0.8
446.08511	10.0
447.09369	18.7
448.09726	1.8
473.10809	0.7
528.20074	0.5
593.15112	25.1
594.15643	3.1
601.33575	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.151
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36668	0.2
59.01376	0.4
63.02398	0.6
65.00023	0.2
65.00344	0.7
69.39239	1.6
75.00851	0.9
83.01398	0.5
89.02420	0.2
93.03445	1.0
107.01392	2.0
108.02196	0.3
108.16029	0.2
109.02961	1.0
110.93940	0.2
117.03471	0.5
121.02950	1.2
124.40972	0.2
125.02418	0.3
132.02158	0.9
135.00868	1.3
135.04457	0.2
137.02469	0.2
143.05034	0.7
145.03009	0.9
147.04550	0.3
149.02380	0.2
151.00397	3.8
151.33327	0.2
153.01949	0.3
157.06569	0.3
159.04520	1.0
161.02472	0.7
163.00377	1.6
164.01120	0.5
165.01891	0.3
167.05009	0.2
169.01468	0.2
169.06569	0.4
171.04530	0.2
173.02495	1.4
174.03220	0.6
175.04002	0.6
177.01845	0.2
178.99908	0.4
183.04457	0.8
185.02428	1.4
185.06075	0.7
187.03966	1.7
189.01904	0.2
189.05489	0.4
190.99907	0.2
192.00581	0.3
195.04504	0.4
197.06059	0.8
198.03233	0.2
199.03954	0.8
200.04774	0.4
201.50351	0.2
203.03502	0.3
210.03123	0.2
211.03976	2.3
212.04703	0.2
213.01894	0.2
213.05495	1.1
215.03487	0.2
217.04938	0.2
222.45578	0.2
223.03911	0.2
225.05556	0.3
227.03500	39.5
228.03871	2.2
229.05048	5.2
230.05411	0.4
237.05626	0.3
239.03511	1.6
240.04158	0.5
241.05048	0.7
243.06564	0.5
253.05074	1.0
254.05817	0.4
255.02986	71.2
256.03546	7.2
257.04541	3.8
267.03024	0.4
267.06671	0.2
269.04385	0.3
277.05164	0.3
279.06796	0.4
280.03702	0.4
281.04547	0.2
281.08218	0.3
283.02481	0.7
284.03262	92.3
285.03989	36.5
286.04309	1.8
293.04550	0.4
294.05301	0.4
297.04044	0.3
299.05588	0.4
307.06177	1.6
308.06625	0.2
319.06186	0.4
327.05154	1.5
356.64832	0.2
357.05884	0.2
387.08475	0.2
403.11926	0.3
429.09766	4.1
430.10287	0.6
460.16559	0.2
505.11493	0.3
557.37335	0.2
593.15106	100.0
594.15448	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	593.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	0.3
63.02399	0.4
65.00331	0.7
69.46441	1.1
69.46853	1.0
83.01399	0.3
89.83821	0.3
93.03442	0.8
94.75573	0.3
95.10470	0.3
104.86259	0.3
107.01390	1.6
108.04404	0.3
109.02982	0.4
131.05110	0.4
132.02179	1.2
135.00877	1.3
143.05045	0.4
151.00381	3.0
151.02663	0.3
155.87088	0.3
157.06602	0.4
159.04453	1.0
163.00357	1.7
164.01109	0.4
171.04517	0.3
173.02405	0.5
174.03322	0.4
183.04521	1.0
185.02408	0.7
185.06145	1.6
187.04005	1.6
189.05621	0.7
197.06044	0.5
199.04041	0.7
200.04707	0.4
211.03990	1.8
213.05634	0.7
227.03508	36.7
228.03900	2.5
229.05086	4.7
239.03546	1.4
240.04271	0.4
241.05115	0.4
243.64308	0.3
255.02991	65.9
256.03537	7.7
257.04532	3.3
283.02481	0.9
284.03271	83.2
285.03986	33.4
286.04419	2.1
327.05194	1.2
356.94287	0.4
429.09622	0.9
593.15125	100.0
594.15515	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	593.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33894	0.4
57.79545	0.5
63.02408	0.5
65.00325	0.8
69.26063	4.4
84.82059	0.5
93.03457	1.5
98.15408	0.4
98.20608	1.1
107.01406	2.9
109.03002	0.6
132.02200	0.9
135.00916	1.6
143.05037	0.9
151.00386	2.5
159.04530	1.5
163.00378	2.6
164.01146	0.6
167.05081	0.8
169.06618	1.2
171.04559	1.0
173.06078	0.5
173.14287	0.4
183.04562	0.5
185.06093	1.9
187.04007	2.8
189.05592	1.3
196.05347	0.5
197.06081	0.8
199.04045	1.1
201.05504	0.5
211.03970	2.3
213.05617	1.9
227.03523	29.7
228.03816	2.3
229.05061	11.8
230.05403	0.7
239.03481	1.4
240.04260	0.7
241.05103	1.3
255.03006	52.1
256.03549	7.4
257.04553	6.5
258.04907	0.7
267.02957	0.9
284.03278	60.6
285.04050	100.0
286.04410	6.6
327.04849	1.2
593.15137	88.6
594.15533	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	593.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.6
69.86808	1.2
77.23680	0.2
77.49495	0.3
82.49553	0.2
83.79328	0.2
93.03438	0.4
108.35335	0.2
110.44845	0.2
120.02167	0.9
121.02959	100.0
121.94785	0.2
122.03291	1.9
130.21391	0.2
136.01677	0.3
137.66916	0.3
165.01933	4.9
180.05873	0.3
181.05122	0.5
181.06580	2.6
197.06079	1.7
207.04512	0.9
209.04550	57.3
210.04898	1.8
223.04155	0.4
225.05623	2.0
251.07275	0.3
255.03024	0.4
257.09668	0.5
258.10104	0.3
284.03253	0.5
285.04117	0.3
301.08746	0.3
304.56293	0.3
313.07156	2.1
348.45264	0.2
350.50287	0.2
357.06122	1.0
373.11038	0.5
383.07559	1.3
401.08844	0.3
417.09665	1.4
505.11371	2.4
506.11685	0.4
549.10364	6.8
550.11194	0.8
579.44623	0.3
593.13049	10.6
594.13312	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1309
Annotation	CHEBI:75667
Peak:m/z	Relative Intensity
57.03223	0.9
57.03452	10.7
59.48535	0.9
60.17109	0.7
60.17427	0.8
68.42159	0.8
68.90813	0.8
69.03468	0.9
71.61089	1.2
75.00859	6.3
81.03472	2.2
83.01414	4.8
84.50671	1.0
93.03482	4.3
95.01376	1.3
95.05025	1.6
97.02942	2.4
109.02968	19.6
111.04521	2.3
117.03430	1.8
119.05038	1.2
121.02973	9.1
123.00890	3.7
123.04510	3.7
124.01653	2.8
125.02456	100.0
126.02783	2.2
133.02892	3.1
135.04500	3.3
137.02454	26.4
137.03485	1.5
138.03186	1.5
139.04025	10.4
145.02986	6.6
147.04567	2.1
149.02434	2.2
149.06029	1.1
151.04016	5.7
157.02864	1.3
159.04544	5.8
161.02449	24.2
162.03207	1.6
163.00368	2.4
163.03976	3.2
164.01207	4.9
165.01918	12.6
167.03494	11.0
173.02440	8.8
173.06075	1.5
174.03166	1.9
175.04037	8.5
177.01953	10.5
177.05618	5.8
178.02386	1.3
179.03513	8.7
185.02490	8.5
186.03052	1.1
187.04002	4.1
189.05600	1.4
191.07201	1.2
193.04962	1.2
197.05913	1.2
199.04073	1.6
201.05582	2.9
203.03500	4.2
204.04231	1.6
205.01450	2.7
205.04922	1.4
211.03896	1.6
213.05615	1.5
215.03554	1.8
217.05067	2.1
219.06638	8.3
221.04576	5.8
225.05525	2.6
227.03508	3.0
227.07187	1.2
228.04170	1.4
229.05025	2.8
237.05602	1.2
241.05103	1.3
243.02937	4.1
243.06621	4.0
245.04564	6.8
245.08392	1.4
249.05563	1.1
251.06932	1.0
253.05138	5.7
254.05644	3.4
255.03014	16.9
255.06534	3.8
256.03732	4.0
256.06473	0.9
257.04343	2.2
261.04050	3.4
261.07782	2.0
265.05057	2.2
267.06720	1.1
269.04578	5.1
273.04034	2.3
276.04306	1.8
277.04947	1.4
278.05774	1.6
279.06650	3.1
281.04648	1.2
281.08127	1.6
282.01712	1.5
283.02475	8.7
285.03973	2.9
287.05756	5.3
289.07239	2.9
293.04550	2.4
293.07907	1.6
294.05286	3.0
295.06003	2.4
297.03979	5.7
299.05551	2.9
305.06696	74.1
306.07150	2.0
307.06189	11.6
308.06354	1.2
319.06033	2.7
347.07645	1.7
355.08139	1.9
387.08582	1.5
397.08929	2.0
403.11777	3.0
423.07214	60.8
424.07425	6.1
425.08667	3.0
429.09851	18.8
430.10025	2.3
441.08511	7.5
467.09818	14.5
473.10672	1.1
505.11438	1.3
575.11847	1.7
593.12762	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	593.13
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67781	0.8
63.02394	2.1
65.00326	1.3
69.42606	3.2
69.43031	4.5
83.01401	1.0
93.03456	1.9
98.20692	1.5
98.92583	0.8
107.01382	2.6
117.03488	4.1
119.05039	4.5
132.02165	1.5
135.00890	1.8
143.05052	1.1
145.02953	11.8
151.00403	5.7
159.04509	2.0
163.00352	1.7
163.04031	2.2
171.04614	1.1
180.31693	0.9
183.04520	1.4
185.06032	2.1
187.03983	3.3
189.05423	1.2
189.13531	0.8
197.02534	0.8
207.35027	1.0
211.04022	3.0
213.05568	2.9
216.66055	1.0
227.03499	41.1
228.03889	3.5
229.05040	8.3
239.03468	1.9
240.04126	1.5
241.05064	1.8
255.02986	73.9
256.03641	10.8
257.04520	7.0
283.02524	2.2
284.03265	73.1
285.04034	100.0
286.04355	7.0
307.08255	5.9
329.89236	0.9
354.58524	0.9
447.09103	4.7
464.46286	0.9
493.46674	1.1
593.13031	83.9
594.13580	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	593.1307
Annotation	Kaempferol 3-(2''-(Z)-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
58.33138	0.5
59.01392	3.4
61.98829	0.6
63.02401	2.0
65.00338	2.7
65.00626	0.4
69.28447	0.7
69.28848	4.7
71.01395	1.4
73.02927	0.6
75.00887	0.8
78.95914	1.8
83.01376	2.5
87.12177	0.5
89.02436	0.6
92.73685	0.6
93.03475	1.5
95.01381	0.5
107.01379	5.4
109.02963	1.0
113.02445	0.6
117.03499	0.6
119.05063	0.9
121.02954	0.7
125.02424	0.6
133.02965	1.4
135.00854	0.7
145.02998	1.8
151.00388	10.8
159.04494	0.8
163.00374	1.8
169.01480	1.1
171.04488	0.8
173.02455	2.2
183.04564	1.3
185.02470	0.6
185.06123	0.8
187.03961	1.7
197.06116	1.1
209.06033	1.0
210.06931	0.7
211.04004	1.9
211.07651	3.2
213.05595	0.7
215.03598	0.6
223.07632	1.0
225.05530	2.1
227.03516	8.1
229.05051	2.9
235.04050	0.9
237.05554	0.7
239.03520	1.7
240.04242	0.8
241.05037	3.1
251.03413	1.3
253.05086	3.0
255.03000	13.5
256.03577	2.0
257.04672	1.0
267.02994	3.1
268.03671	1.2
269.04568	6.7
270.04858	0.8
279.02954	1.7
281.04605	1.6
283.02487	1.9
284.03271	11.2
285.04050	24.1
286.04343	2.4
295.02493	4.1
296.03314	0.9
297.04034	12.1
298.04642	1.2
299.05557	1.0
309.04089	2.3
324.02722	4.7
325.03534	100.0
325.71573	0.6
326.03903	5.4
337.03430	1.2
339.05069	0.7
367.04678	2.1
402.07477	0.9
403.08087	2.1
423.05685	0.6
430.07190	0.8
431.07758	5.6
447.10266	0.6
487.08817	10.7
488.09201	1.3
501.47775	0.6
593.13068	65.0
594.13416	8.0
594.29724	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1303
Annotation	Kaempferol-3-Glucoside-6''-p-coumaroyl
Peak:m/z	Relative Intensity
51.28552	0.4
63.02396	1.0
65.00314	1.1
70.27032	0.8
70.27396	0.9
82.36504	0.4
83.01414	0.7
88.84343	0.4
89.92970	0.3
91.01916	0.4
93.03454	1.6
107.01395	3.3
109.02927	0.6
117.03475	4.0
119.05029	3.6
123.13036	0.4
131.05061	0.4
132.02155	0.9
135.00868	1.7
143.05038	1.1
145.01849	0.8
145.02960	12.4
146.03265	0.4
146.41562	0.4
151.00368	5.0
153.01936	0.6
154.04210	0.5
155.04956	0.4
157.06531	1.0
159.04521	1.4
163.00389	2.1
163.04036	2.0
164.01170	0.8
167.05011	0.9
169.06561	0.6
171.04518	0.9
174.03242	0.4
183.04520	1.2
185.02434	0.7
185.06012	2.5
187.04013	3.1
189.05603	0.8
195.04561	0.6
197.06042	0.5
199.03944	1.3
201.05525	0.5
208.35509	0.4
211.04019	3.8
212.04518	0.5
213.01959	0.4
213.05544	2.4
214.02834	0.5
227.03502	42.2
228.03862	3.0
229.05063	8.6
230.05629	0.5
239.03581	2.5
240.04257	0.9
241.05002	1.8
255.02986	72.2
256.03647	10.4
257.04529	7.8
267.02945	1.1
284.03265	75.5
285.04034	100.0
286.04428	5.8
307.08255	5.1
327.05005	0.7
447.09314	3.7
593.13025	88.8
594.13361	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18791	1.8
59.01381	3.9
69.89359	6.7
69.89784	4.0
71.01380	3.4
75.00880	26.0
75.94774	1.9
89.02454	2.4
93.03463	4.4
101.02448	2.7
109.02962	14.6
109.03636	2.3
110.68517	1.9
110.71106	1.7
117.03477	2.2
118.99944	1.9
121.02964	23.9
123.04556	3.4
133.02971	3.0
134.62346	1.8
135.04541	2.5
145.02943	21.0
147.04503	5.5
151.00410	2.7
157.02896	4.5
159.04544	11.6
161.02464	14.6
163.04073	2.3
173.02438	39.0
174.03166	7.6
175.03996	4.4
185.02449	40.4
186.02982	4.0
187.03979	6.0
189.01823	2.9
196.05438	2.2
197.06058	3.9
198.03244	4.1
203.03497	7.8
209.06049	3.0
225.05653	9.9
227.03514	6.5
237.05615	7.3
238.06209	2.7
240.04079	1.8
241.05194	3.2
243.06642	17.9
249.05637	2.5
250.06264	2.6
252.04320	2.9
253.05043	29.5
254.05760	11.7
255.03073	16.9
255.06641	17.1
261.04025	8.0
261.05920	3.5
262.06232	2.7
265.04935	4.5
267.06699	5.2
276.04190	4.4
277.05029	7.6
277.70892	1.9
278.05798	5.5
279.03287	3.1
279.06586	17.0
280.03754	3.2
281.04474	5.4
281.08179	5.4
283.02451	4.5
284.03278	8.3
285.03976	10.8
289.05103	5.0
290.05750	2.5
291.06506	3.8
292.03964	3.0
293.04584	8.5
293.07928	3.7
294.05310	14.1
295.06012	8.6
305.04443	2.6
306.05197	3.5
307.06158	45.7
308.06351	3.3
319.06131	13.3
387.08655	4.5
403.12375	8.9
404.46799	2.0
429.09814	100.0
430.10086	10.4
447.10831	6.4
505.11368	5.0
523.26379	2.0
593.15063	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	593.094
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00880	18.3
93.03470	5.1
109.02952	13.7
118.60681	1.5
121.02955	28.3
135.04555	3.3
145.02963	16.9
147.04619	3.7
152.01306	1.7
157.02965	4.2
159.04555	7.6
161.02429	11.9
173.02438	38.6
174.03191	8.9
175.04030	7.1
185.02455	38.4
187.03998	6.0
197.06081	3.3
198.03207	3.3
203.03506	8.9
209.06006	2.6
211.04001	2.0
217.06740	2.0
225.05600	6.9
233.06172	2.3
237.05623	6.2
238.06448	3.4
240.04266	2.9
241.05057	3.6
243.06642	15.9
249.05595	2.8
251.07150	1.8
253.05127	24.4
254.05797	10.0
255.02934	3.8
255.06638	19.8
261.04041	10.4
265.04993	2.6
266.05948	2.5
267.06683	4.3
276.04288	5.0
277.05096	6.0
278.05826	5.1
279.06689	16.0
281.05289	1.9
281.08112	9.6
283.02512	6.8
284.03201	2.1
285.03903	2.3
289.04993	4.4
290.05615	5.3
291.06680	2.3
293.04471	8.6
293.07910	3.2
294.05386	11.7
295.06006	7.4
306.05258	6.2
307.06131	42.5
308.06454	3.7
319.06100	11.7
320.06482	2.6
387.08569	3.4
403.12027	10.3
429.09811	100.0
430.10190	10.1
447.10806	4.7
505.11407	4.1
505.85739	1.7
574.71851	1.9
593.15320	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93954	0.6
54.76081	0.6
57.79379	0.6
59.01380	1.3
65.00356	1.2
71.61664	0.7
75.00885	3.3
78.54276	0.8
87.00922	0.6
93.03482	1.4
107.01421	2.7
109.02950	8.9
110.78623	0.6
115.16718	0.6
117.03466	3.1
119.05042	4.5
121.02978	2.5
123.04533	1.0
132.02196	1.2
133.02986	0.7
135.00929	1.2
135.04527	3.1
143.05031	1.0
145.02950	12.6
147.04536	1.0
149.02423	1.0
151.00357	4.7
159.04500	3.1
161.02461	1.3
163.00368	3.1
163.04018	2.1
167.05016	1.6
169.01474	0.8
171.04552	0.9
173.02458	2.2
174.03146	0.8
175.04053	1.6
183.04527	1.9
185.02370	4.6
185.06110	2.3
187.04045	3.4
187.74477	0.7
189.05499	1.3
195.04559	0.8
197.06166	1.2
199.04021	1.9
201.05588	1.3
211.03938	4.5
213.05539	2.7
223.04315	0.8
224.04752	3.1
225.05479	1.1
227.03500	43.1
228.03789	3.7
229.05016	9.9
237.05597	1.2
239.03426	1.9
240.04170	1.2
241.05115	1.7
243.06693	1.5
249.05702	1.1
251.03648	0.8
252.04292	5.6
253.04935	3.5
254.05664	1.2
255.02986	73.3
256.03607	10.0
257.04614	7.2
261.05695	1.3
265.05057	1.3
266.05847	0.8
267.06696	1.9
277.04965	1.6
278.05890	1.5
279.02985	3.9
279.06641	2.6
280.03784	15.2
281.04419	2.5
281.08087	1.4
283.02567	1.0
284.03265	76.2
285.04028	100.0
286.04382	5.4
290.05682	0.8
291.06631	1.7
292.03821	1.3
293.04712	5.8
293.07874	1.2
294.05301	1.3
295.06018	2.2
305.04474	1.5
307.05490	4.5
307.08762	1.7
319.06073	4.5
327.04962	1.1
403.11838	2.0
429.09799	31.6
430.10278	3.6
447.09665	3.3
473.09433	0.9
593.13281	87.2
594.13721	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	591.2615
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
51.61383	0.5
52.26702	0.5
59.14640	0.5
69.60816	4.0
80.12282	0.5
82.84571	0.5
85.56853	0.5
89.51568	0.5
98.19765	0.6
106.06611	0.6
148.97121	0.5
150.80844	0.6
176.10071	0.6
319.10651	0.6
339.96286	0.5
383.78659	0.7
443.22321	1.8
444.19647	0.7
445.20255	1.8
455.22958	0.9
456.23798	0.8
458.20819	1.1
459.21960	2.0
471.25574	2.3
472.22577	1.7
473.23563	1.0
482.21121	1.7
485.19727	2.0
487.24979	2.0
497.23520	3.4
499.21274	3.8
500.22235	12.8
501.22696	1.3
504.21939	0.8
515.24536	100.0
516.24780	12.4
559.23499	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	592.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40766	0.5
59.01378	1.5
61.98833	100.0
62.53066	0.5
69.33700	4.6
71.01418	0.7
75.00891	0.6
80.96521	1.2
96.96124	0.4
98.19846	0.8
113.69092	0.5
127.60567	0.5
134.28137	0.4
208.30351	0.5
227.03563	0.8
255.03026	1.3
284.03293	1.7
285.04111	2.0
440.27744	0.6
483.53336	0.5
562.27881	0.8
592.25342	1.3
593.14612	2.4
593.25330	0.6
619.19745	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67654	3.8
68.75487	3.6
68.92426	4.6
69.34057	9.4
69.34476	28.1
75.00877	16.9
83.51250	4.0
93.03448	4.5
101.14857	3.5
109.02959	100.0
116.92886	9.5
118.99847	5.8
121.02963	10.7
131.04997	3.9
135.04536	23.1
135.71408	3.8
137.02423	16.3
145.02979	6.9
146.03738	5.7
147.04530	14.3
149.02440	10.0
157.02884	3.9
158.03767	4.3
159.04533	18.3
161.02444	14.5
161.06120	14.1
169.85280	3.9
171.04482	6.7
172.05295	4.3
173.02426	4.6
173.06102	13.3
175.04028	43.4
176.04301	3.8
179.03535	4.4
185.02525	34.3
185.06041	4.6
187.03970	9.1
188.04794	5.4
189.05615	28.2
191.03535	6.6
199.03958	24.7
200.04614	4.2
201.01930	12.2
201.05553	16.2
203.03601	4.8
210.07030	3.9
211.03979	9.5
213.05600	9.1
215.03456	12.2
217.05045	9.8
227.03461	14.9
228.04297	4.7
229.01465	7.5
229.05006	18.8
233.04610	4.4
239.03476	12.4
241.05090	11.0
243.02974	7.9
243.06622	9.6
245.04498	11.6
253.05319	4.0
257.04486	12.9
261.03998	20.4
269.04590	16.7
271.02466	5.8
279.02991	6.1
279.06473	5.5
281.04398	12.0
290.05820	5.8
291.06564	7.6
293.04465	14.9
295.06149	11.4
301.03549	6.0
307.06122	10.5
309.07727	12.5
321.07535	7.0
335.05460	7.5
349.07178	33.0
351.08737	7.5
355.08484	4.0
363.08844	5.3
365.10327	8.1
367.08264	22.0
379.08502	4.3
381.05988	19.9
391.08139	29.4
395.07635	11.4
399.07211	16.3
409.09265	22.9
411.06967	23.2
413.08734	16.4
441.01770	3.9
441.08267	12.7
453.08243	9.2
471.09326	72.5
472.09763	5.7
489.10126	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	589.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70605	0.4
59.01377	1.0
72.99329	1.8
73.69572	0.4
75.00880	100.0
76.01215	0.9
80.96519	0.4
98.19830	0.8
150.21010	0.4
160.74980	0.4
176.84433	0.4
198.72298	0.3
236.70963	0.4
273.16995	0.5
277.21686	0.4
461.58295	0.4
515.35944	0.5
540.89368	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.0
62.72136	0.5
69.34023	5.1
72.99310	2.2
75.00879	100.0
76.01241	0.7
98.20475	2.3
140.52644	0.5
175.12952	0.5
199.57736	0.6
208.49062	0.6
218.54176	0.5
232.48752	0.5
277.21786	0.8
370.06619	0.5
494.00436	0.5
547.39178	0.5
578.67029	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20965	0.6
54.97582	0.5
58.94089	0.5
59.01384	4.0
61.98827	2.0
69.40548	5.3
71.01393	0.5
75.00887	0.6
87.68757	0.6
96.96028	0.7
98.20044	2.3
108.02191	2.2
109.02950	6.3
117.03468	0.6
119.05050	1.0
121.02963	1.3
124.01700	0.8
130.04233	2.2
131.05048	0.8
133.02960	9.3
134.03757	3.9
135.04533	100.0
136.04854	2.9
137.02463	1.3
140.76802	0.6
145.02982	1.2
146.03691	1.2
159.03203	0.8
159.04523	19.4
161.02443	28.5
161.06027	2.8
162.03075	0.9
171.04526	0.7
172.05307	1.7
173.06020	1.1
177.05589	0.6
185.06061	1.7
186.06812	0.7
187.03984	1.2
188.04816	1.7
198.62373	0.6
199.03966	1.1
200.04857	1.0
203.03487	1.0
213.05569	3.6
214.06320	1.9
227.07161	0.9
228.07973	0.6
245.96516	0.6
247.20659	2.2
265.21652	1.1
273.18619	1.3
287.20181	0.9
291.19687	15.9
292.20053	1.0
309.20682	13.3
310.21207	0.8
365.24899	0.8
367.22787	1.6
381.24225	1.3
383.24387	23.0
384.24661	1.6
388.99222	0.6
391.22784	0.7
409.23868	17.7
410.24109	1.7
427.24844	8.0
446.16348	0.6
453.22879	10.7
454.23367	1.0
471.23712	5.6
472.24258	1.2
501.28839	2.8
545.27582	81.7
546.27954	10.1
549.97601	0.6
589.26575	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.4
58.00607	1.1
59.01382	28.8
61.98849	1.0
67.20951	0.8
69.03459	1.1
71.01385	17.5
71.05036	0.9
73.02951	28.5
75.00847	2.3
83.01392	7.2
85.02973	1.2
85.06600	0.7
87.00899	0.7
89.02462	1.0
89.48912	0.7
97.02945	1.1
97.06608	1.5
101.02449	14.3
101.20370	0.7
106.26442	0.8
113.02457	2.8
113.06075	4.5
115.07617	1.0
116.92883	0.8
123.08154	1.3
125.02432	2.2
125.06120	0.9
125.09712	1.4
126.06969	0.9
143.03551	0.9
149.09747	1.4
151.11285	2.3
152.51595	0.8
155.03502	2.3
161.04572	1.8
168.81053	0.8
169.12361	11.2
170.12555	0.9
171.10176	1.0
181.12343	1.5
203.05600	2.6
207.17583	1.8
212.09779	0.8
223.17047	4.2
223.82494	0.8
233.19096	2.7
251.16643	0.9
259.17023	1.1
277.18015	7.7
295.19147	100.0
296.19525	6.5
296.63992	0.8
309.20746	7.3
310.20975	0.9
319.19156	2.8
337.20160	15.1
338.20621	1.5
367.21262	1.3
383.24207	1.9
418.91315	0.9
603.83392	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80823	2.8
52.43675	3.2
55.89810	3.1
57.03447	6.1
58.00570	3.2
59.01384	45.8
61.98839	12.7
69.84591	10.2
71.01395	21.8
73.02950	21.8
78.95915	5.4
83.01389	5.2
85.02933	4.4
87.00896	5.6
89.02467	3.7
96.96020	6.5
98.95622	6.7
99.92590	26.2
101.02471	10.4
109.97826	3.4
113.02440	6.9
115.92090	23.4
116.92873	100.0
117.92915	6.0
123.04504	6.7
125.02470	6.2
135.71243	2.8
139.07613	8.3
146.49469	3.3
157.64496	3.0
159.04463	3.1
169.12277	4.1
171.10364	16.4
172.75259	3.4
197.11938	3.7
225.18465	3.5
238.48061	3.3
239.11865	4.4
251.20204	10.9
276.60510	3.3
277.18198	4.9
295.19122	54.1
308.17545	4.3
309.20782	6.5
311.18811	7.7
337.20361	5.7
339.18137	29.1
360.17059	9.9
362.18689	11.6
380.19864	5.9
406.17676	9.0
424.18677	5.6
465.12540	4.7
465.27216	3.3
507.13458	6.9
525.14105	4.8
543.14905	4.1
587.14197	9.6
587.25342	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	587.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	7.8
71.01382	11.6
71.20017	4.3
75.00869	18.8
83.01404	14.6
83.95938	4.6
87.00896	23.4
93.03478	15.9
96.96024	49.9
98.20627	14.4
99.00879	7.1
109.02942	11.0
115.00378	52.0
119.05032	21.1
133.06604	100.0
139.00359	6.1
145.02950	10.2
145.06578	8.4
147.04614	6.4
149.06070	18.7
157.01407	7.8
161.02409	7.3
173.06097	17.4
174.01659	11.7
175.02480	85.9
177.05571	34.7
191.03412	4.5
191.07120	24.7
221.04572	29.0
229.64059	5.1
233.08188	13.1
237.04160	4.9
249.07590	7.2
258.37741	4.4
425.10931	64.1
465.11362	5.6
483.11331	18.2
507.11182	7.7
527.44177	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	585.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.0
60.01727	0.4
69.68904	1.1
69.69302	0.7
71.01377	1.3
72.99324	0.3
73.02929	0.6
75.00864	0.3
75.63709	0.3
78.95904	0.4
85.02964	0.3
87.04474	0.4
96.96025	2.8
98.20785	0.3
98.95605	2.0
98.96159	0.3
98.96500	0.3
99.00893	0.5
99.92592	16.7
100.92654	0.5
100.93377	1.2
101.02464	0.7
103.00406	0.6
113.02440	0.6
114.93448	0.4
115.92085	26.8
116.92867	100.0
117.92899	3.9
117.93649	0.6
122.06128	0.6
126.94984	0.3
140.92897	0.4
141.93684	0.7
142.94412	0.9
156.92398	0.9
158.93861	0.3
161.04675	0.3
170.94016	0.4
174.93436	0.7
184.91843	2.2
186.70996	0.3
192.28464	0.3
196.95436	0.7
239.08241	0.8
240.09007	0.7
241.09792	0.6
252.09103	0.5
253.09731	2.1
254.10571	1.4
259.96350	0.9
264.30362	0.3
267.11349	1.7
268.12143	2.4
269.12946	4.1
311.10413	0.7
312.11267	0.4
313.12076	1.2
321.11728	1.3
353.10483	0.7
363.12433	0.3
434.17529	0.8
436.18527	0.3
462.20428	5.4
463.14532	0.9
463.20901	0.7
481.15323	5.6
482.15692	0.6
499.16284	3.3
511.16699	0.9
523.16681	1.8
541.17560	5.3
541.30090	1.5
542.17664	0.6
549.14246	1.4
550.14685	0.4
585.16595	13.5
585.27216	6.3
585.36401	0.4
586.16809	1.7
586.27069	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20821	0.7
50.49099	0.7
50.75085	0.7
54.32728	0.7
60.14541	0.8
60.99311	16.6
61.98836	1.0
69.57331	0.7
78.95908	4.4
84.13760	0.7
88.00411	3.2
88.98815	100.0
89.02448	11.8
91.89825	0.7
98.19789	1.2
100.44015	0.7
102.13967	0.7
126.44509	0.7
148.04742	0.6
212.12450	0.7
221.70001	0.7
223.18405	0.7
229.88742	0.6
255.23331	2.8
279.99991	0.8
409.23737	0.8
478.64261	0.8
480.31131	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
70.11971	8.5
70.12383	3.4
83.01392	6.4
98.20599	3.5
99.00881	7.1
109.02953	14.2
111.43243	2.3
115.00342	3.5
121.06667	4.4
126.63774	2.7
145.02982	5.0
147.04527	4.7
148.05298	4.9
149.06084	100.0
150.06413	3.6
161.02454	10.9
163.03999	6.9
165.05525	4.5
175.03983	16.5
177.01944	13.5
177.05502	3.1
183.02989	2.5
191.03506	3.6
193.05026	17.2
206.02031	2.4
218.08499	2.1
219.03003	33.2
227.54416	2.2
231.06651	2.6
233.04532	9.5
237.04041	48.5
255.05031	2.5
275.05661	3.9
277.03549	11.5
293.06564	6.5
300.47775	2.3
319.04739	12.6
319.07751	2.7
337.05634	54.0
343.87909	1.9
357.12234	2.2
423.09222	8.2
441.10196	14.5
481.09708	4.5
523.11047	10.9
541.11902	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	583.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.1
56.47555	0.3
57.03448	1.0
58.00603	0.9
59.01383	100.0
60.01719	0.8
61.66981	0.3
61.98833	0.5
69.03444	0.4
71.01388	17.5
71.16230	0.5
72.24715	0.3
72.99302	1.6
73.02950	3.4
75.00877	0.6
83.01389	3.3
85.02956	6.3
87.00885	3.3
89.02450	12.8
91.04014	2.8
95.01386	1.9
97.02966	0.8
99.00902	1.5
101.02450	17.9
102.02803	0.7
111.00921	0.5
113.02455	10.0
119.03507	3.0
125.02448	1.7
131.03510	0.7
143.03477	2.4
161.04568	7.8
161.05867	0.6
179.05605	1.6
199.40955	0.3
217.04620	0.3
235.08188	4.2
235.84438	0.3
253.09297	23.6
254.09709	0.8
281.01617	0.3
363.84753	0.3
390.06293	0.3
475.30563	0.3
523.32581	1.5
541.33838	41.5
542.34186	5.8
583.25226	0.5
583.34930	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78723	0.4
53.95965	0.4
55.01901	0.7
57.03448	1.0
58.00584	0.6
59.01384	100.0
59.56147	0.4
60.01724	0.5
61.98828	0.6
71.01391	17.5
72.99324	1.6
73.02929	2.4
75.00906	1.2
83.01389	3.3
85.02950	4.6
87.00883	2.3
89.02452	13.9
91.04006	3.9
95.01419	1.4
97.02993	0.7
98.38414	0.4
99.00920	0.9
101.02452	15.1
113.02460	10.0
119.03529	3.9
123.56966	0.4
125.02451	0.7
143.03540	1.3
161.04576	6.8
179.05659	1.5
187.04544	0.5
199.14020	0.5
235.08197	3.9
253.09286	28.9
254.09711	1.2
285.25491	0.4
295.10464	1.2
328.21329	0.6
523.33191	1.6
541.33893	18.0
542.34094	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	583.349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09949	0.4
55.01880	1.0
57.03473	0.5
58.00596	0.9
59.01384	100.0
60.01725	1.3
60.53252	0.4
61.98840	1.2
66.50999	0.4
71.01389	20.7
72.99319	1.8
73.02959	3.8
78.95935	0.5
83.01403	4.8
85.02965	5.6
87.00886	2.8
89.02452	17.0
91.04020	2.6
91.67154	0.5
95.01405	2.0
96.63113	0.4
97.02962	1.2
99.00891	1.5
101.02452	19.6
111.00915	0.8
113.02462	11.9
115.04025	0.5
116.92916	0.9
119.03504	5.6
125.02453	1.8
130.27034	0.5
131.03493	0.7
133.05069	0.9
143.03500	2.7
161.04567	8.0
179.05643	2.4
187.06084	0.6
208.13037	0.5
235.08229	13.5
253.09297	75.2
254.09595	3.0
265.86682	0.4
295.10349	4.6
316.49948	0.4
541.33820	14.2
542.34247	2.1
552.40649	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44120	0.4
55.01880	1.2
56.15687	0.4
57.03448	0.6
58.00609	1.0
58.99292	0.4
59.01382	100.0
60.01713	0.5
61.56618	0.3
69.03458	1.2
70.08331	1.3
71.01385	19.5
72.99334	1.4
73.02958	3.4
83.01388	4.4
85.02955	5.4
85.03447	0.5
87.00877	3.6
89.02451	13.6
89.70478	0.4
91.04007	2.6
95.01391	2.9
97.02972	1.3
98.19959	0.5
98.20501	0.4
99.00887	0.9
101.02450	21.2
111.00923	0.7
113.02454	10.9
115.04065	0.5
119.03503	3.1
125.02459	2.0
131.03526	0.8
134.10463	0.3
141.01912	0.4
142.37241	0.3
143.03528	2.8
161.04564	9.3
173.87975	0.4
179.05635	2.5
235.08238	5.0
253.09300	31.4
254.09698	1.2
267.68472	0.3
270.51041	0.3
355.19272	0.4
422.22070	0.5
431.22849	0.9
476.22736	0.4
523.33234	1.0
541.33838	32.9
542.34271	3.8
555.66650	0.4
606.30164	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.4
59.01384	100.0
71.01392	22.9
71.61421	1.7
72.99321	1.9
73.02946	3.8
74.90173	1.1
78.95912	10.2
83.01402	3.8
85.02966	6.1
87.00881	3.6
89.02451	17.2
91.04037	2.7
95.01389	2.9
96.96024	15.0
96.96974	14.6
97.02962	1.7
99.92624	1.4
101.02454	20.8
113.02446	11.9
116.92848	6.2
118.55447	1.1
119.03507	2.4
125.02490	1.8
143.03523	3.0
161.04573	9.4
179.05652	3.0
180.14003	1.1
182.08499	1.2
183.05235	1.2
235.08224	5.9
253.09291	44.1
254.09676	2.2
295.10532	1.0
442.68784	1.4
449.59409	1.2
541.33801	38.1
542.34149	3.0
583.25574	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	1.1
62.05045	0.9
62.96415	1.2
71.01387	3.0
73.26716	0.8
75.29877	1.0
78.95905	100.0
79.87267	0.9
80.96111	1.0
80.96513	5.0
80.97500	0.8
82.96095	3.1
94.98083	2.2
96.31440	1.0
96.96991	4.8
98.19831	2.4
99.92587	11.5
100.93362	1.4
104.57363	0.9
115.92079	42.3
116.92125	1.5
116.92860	30.4
117.92874	1.8
118.18575	0.8
126.88832	0.9
150.98059	5.7
152.98332	1.9
152.99590	37.8
153.03888	0.9
163.89767	1.4
164.90524	1.8
171.00670	4.9
172.95464	9.5
173.95341	0.9
178.88414	7.7
179.89217	34.3
180.90024	25.9
181.90868	1.3
194.87888	2.9
195.00682	1.9
196.89493	48.5
197.89536	2.1
204.90022	1.4
205.90825	3.5
206.91515	3.5
208.89529	3.7
219.92337	2.1
221.90288	1.3
225.00792	1.5
232.30556	1.1
234.91045	1.7
235.91847	8.8
236.92615	27.0
237.93129	1.6
252.92152	4.0
255.23282	15.5
270.93146	3.1
278.93716	1.9
326.95612	1.0
329.73740	1.0
355.16138	1.2
409.23923	1.3
435.12717	1.0
475.15604	11.1
478.44672	1.1
483.27448	2.6
492.15875	7.9
493.16324	1.5
517.16534	1.5
535.17920	6.1
547.17651	5.3
548.18121	1.3
565.18036	1.3
582.30444	3.1
583.19952	95.3
583.30145	13.9
584.20135	13.6
593.30383	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
63.39184	2.6
63.59513	2.9
70.88973	6.5
81.67043	2.3
109.21248	3.1
184.23079	2.9
189.29640	2.5
207.73732	3.2
233.96597	2.7
245.19716	2.8
413.01163	3.1
585.98462	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	583.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89950	2.4
57.06693	2.1
57.74340	2.1
68.66920	2.4
69.32846	23.4
75.00877	2.7
89.94519	2.3
91.12755	2.5
91.51068	2.4
93.03514	2.8
94.05238	2.6
96.96448	2.6
98.20728	3.8
108.02251	2.3
109.02962	100.0
110.03268	3.8
113.70462	2.3
118.99863	3.0
161.02458	4.6
167.46852	2.3
177.05554	4.3
193.05070	9.3
237.03966	3.0
247.97847	2.3
281.03281	4.2
436.51581	2.6
440.44452	2.3
471.94653	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69558	0.4
57.03447	1.5
59.01385	6.2
61.98833	1.4
63.43350	0.3
69.54841	2.9
71.01389	1.5
73.02955	1.2
75.00878	27.3
81.03464	1.4
83.01411	0.6
85.02951	0.5
93.20686	0.4
96.96010	0.7
99.00871	0.5
101.02428	0.7
109.02988	0.6
116.92846	0.4
117.03407	0.5
119.05038	0.5
124.32564	0.4
125.02459	11.3
132.02145	0.6
133.02960	13.9
134.03381	0.4
135.04552	3.4
145.02960	1.2
147.04521	0.6
159.04538	0.4
161.02454	100.0
162.02773	2.8
175.04016	1.8
179.03563	2.0
199.04034	1.6
217.05057	1.1
237.04057	45.1
238.04485	1.4
241.05099	1.5
285.04236	0.5
317.21219	0.6
375.10318	0.4
441.06879	0.4
457.18671	4.6
458.19318	0.6
543.46429	0.5
583.33929	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.321
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.3
61.98835	100.0
69.34789	1.1
76.94231	0.2
78.95921	0.5
91.85126	0.2
111.72205	0.1
116.51317	0.2
152.99603	0.4
168.04268	0.2
258.94171	0.2
277.22028	0.2
279.23282	2.1
280.23654	0.8
281.24017	0.5
282.24295	0.2
303.23328	0.2
327.60782	0.2
328.38953	0.2
347.67618	0.2
504.30984	0.8
505.31384	0.2
507.32062	0.3
581.32623	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.9
59.01371	2.8
60.32618	0.8
61.98830	7.7
76.36572	1.0
80.96533	0.8
83.01380	1.5
106.20084	0.7
116.92873	6.7
133.83841	0.8
166.57352	0.8
167.14409	7.8
181.16022	4.4
183.17557	1.5
189.16579	0.9
191.14420	3.5
205.15974	3.8
207.17570	1.9
209.15472	12.3
211.13446	1.0
215.16525	22.8
216.16911	1.1
219.13763	0.8
223.17047	8.9
227.16501	3.4
229.18092	41.8
229.56564	0.9
230.18350	1.6
233.15491	21.6
234.15828	1.2
241.18042	2.4
247.17041	13.5
251.16515	14.7
265.18057	8.2
277.14423	2.3
283.06592	0.9
295.15469	7.3
309.17026	5.3
349.41171	0.9
351.18228	2.9
365.19714	1.8
369.19104	6.4
383.20737	4.7
509.98593	1.0
521.22449	0.9
581.36975	100.0
582.37415	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	581.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.0
63.96225	0.9
65.97411	0.4
69.03465	0.5
70.09071	1.6
71.01391	6.9
73.02947	1.3
77.53416	0.4
78.98593	4.6
79.95741	7.3
80.96520	54.5
81.03468	1.0
85.02946	2.0
87.00892	1.9
89.23039	0.4
94.98093	13.3
96.96024	0.6
97.02960	1.0
98.19836	0.4
99.00875	0.5
99.04548	0.5
101.02446	1.7
104.05659	0.4
106.98099	2.7
120.05697	0.4
122.97616	2.4
125.02474	2.7
127.03987	0.8
130.97101	0.4
132.12109	0.4
134.04730	0.4
134.97591	4.7
136.99149	1.5
148.99153	5.2
152.98660	3.8
160.60240	0.4
164.98636	8.9
167.00093	0.4
206.99756	2.2
225.00742	12.6
243.19867	0.7
281.24799	1.9
299.04401	2.4
581.30005	100.0
582.30334	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39231	0.2
59.01391	0.2
61.98835	100.0
71.61520	0.2
78.95923	0.7
83.57844	0.2
99.92612	0.2
116.92865	1.6
118.89996	0.3
121.02959	0.2
152.99641	0.2
189.12596	0.2
224.07082	0.3
227.41130	0.2
266.82205	0.2
279.23294	1.6
280.23657	0.4
281.24030	0.4
304.24097	0.2
331.22577	0.2
346.22452	0.2
504.31100	1.2
505.31995	0.2
507.31900	0.4
529.31421	0.3
556.08026	0.2
581.27423	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35178	0.5
59.01366	1.7
61.98822	0.9
62.89851	0.4
69.03457	0.5
70.92812	0.6
71.01363	1.2
72.99311	0.4
73.02934	1.4
75.00871	1.9
81.03455	1.4
83.01393	0.4
85.02952	0.8
87.00886	0.8
88.98818	1.1
89.02447	0.6
93.03469	5.0
95.05032	2.3
96.96032	0.4
97.02961	13.1
101.02441	1.0
103.04015	0.5
107.05051	0.7
108.02151	0.9
109.02941	1.2
119.05048	2.6
121.02974	2.0
123.04545	4.7
125.00837	0.4
125.02431	1.2
133.02974	3.2
134.03755	1.2
135.04538	3.4
137.02457	4.8
138.03220	1.6
138.05649	0.5
139.04024	2.1
143.05014	0.7
145.02914	0.9
145.06575	0.6
146.03697	0.7
147.04518	1.1
148.01657	1.8
149.02425	2.5
151.04021	0.5
159.04494	0.7
161.02480	2.2
161.06099	0.9
163.06102	1.0
165.01924	1.8
166.02664	1.6
169.06615	5.0
171.04538	3.0
175.03928	1.0
177.05594	1.0
179.03499	1.7
183.08072	0.7
185.06061	2.4
186.06847	1.3
187.04073	0.7
187.07635	5.9
189.05540	4.6
205.08752	4.7
210.06885	0.6
211.07693	6.8
212.07881	0.6
213.05533	2.1
214.06210	1.5
227.07169	0.8
229.08701	5.9
231.06665	1.2
237.05669	0.6
238.58533	0.5
255.06631	100.0
256.06961	5.1
269.06876	1.2
273.07703	32.2
274.08084	1.7
284.03189	1.2
297.07767	2.4
299.05243	0.6
299.08255	0.8
339.08707	0.8
365.25079	0.5
419.12335	1.5
445.13486	0.8
461.10474	0.6
507.02704	0.6
562.98663	0.5
581.18787	15.2
582.19183	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	581.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22313	1.8
58.75515	1.6
69.29042	19.6
92.89894	2.3
93.03475	23.2
106.34245	2.0
106.69819	2.0
109.02954	2.2
112.34747	1.8
119.05013	10.8
120.45410	1.8
120.85553	1.9
124.72623	1.9
127.07391	1.9
129.68784	2.0
130.04233	2.6
131.05035	8.0
133.06592	4.7
147.04535	14.8
149.06105	4.4
153.02071	1.8
159.04477	6.7
170.40152	1.8
175.04050	2.5
177.05585	100.0
178.05975	4.0
245.19473	1.9
265.03439	4.5
285.79831	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1829
Annotation	Crinemodin-rhodoptilometrin bianthrone
Peak:m/z	Relative Intensity
52.90341	0.8
53.17040	0.7
56.10137	0.7
58.62909	1.0
71.01387	1.7
72.88651	1.0
78.95909	100.0
96.96047	2.0
96.96994	4.9
96.97494	0.8
99.92593	10.7
100.92584	1.0
100.93364	1.1
115.91292	1.8
115.92089	33.6
116.92140	1.9
116.92864	30.6
117.92892	1.0
119.23971	0.8
120.96964	1.2
138.98029	0.8
142.94443	1.2
150.98022	3.1
152.99608	24.1
155.95183	1.8
163.89732	0.9
164.90536	2.6
168.99568	0.9
171.00642	10.9
172.95490	6.3
178.88440	9.6
179.89229	37.5
180.90042	25.4
181.90712	2.8
194.87923	2.0
196.89493	46.2
197.89537	1.8
204.36845	0.8
204.90024	1.2
205.90823	4.0
206.91501	3.4
208.89494	1.7
218.91608	1.2
221.90254	2.7
234.91045	2.0
235.91878	11.1
236.92618	23.6
237.93080	1.5
245.04207	2.0
252.92122	3.2
253.21666	1.6
270.93256	1.9
276.95816	1.6
278.93610	5.0
282.25516	1.1
292.95218	3.0
309.95688	1.8
310.96323	6.8
326.95715	1.4
390.97855	1.0
473.14175	6.8
481.25919	1.9
490.14468	4.7
515.14972	1.2
533.16156	4.4
545.16248	6.4
563.17303	4.9
581.18286	65.6
582.18488	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	580.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	12.5
61.98834	17.8
63.99261	1.7
70.21130	3.5
71.01381	2.3
76.04467	0.8
78.95911	13.9
78.98571	1.5
79.95747	2.4
80.96519	15.9
82.96091	1.0
85.02962	0.8
94.98071	2.8
96.96027	1.4
96.96912	0.9
101.02416	0.7
103.04118	0.8
115.92085	3.4
116.92863	2.8
148.99097	1.3
152.99574	3.2
154.99826	0.9
164.98648	2.2
166.52277	0.7
168.04292	1.4
171.00696	1.2
179.89256	2.5
180.90004	2.3
196.89571	4.2
225.00743	2.7
236.92657	2.6
242.08067	1.7
281.24863	100.0
282.25201	5.5
506.32538	28.7
506.40100	1.2
507.32828	2.9
512.88361	0.8
580.28833	25.5
581.18158	6.0
581.28381	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	580.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63765	0.5
55.17782	0.6
58.00791	0.6
59.01094	1.0
59.01380	18.0
61.98829	4.3
69.72143	2.6
69.72565	1.6
71.01385	2.2
73.02895	0.8
78.95905	25.3
79.95750	1.3
80.96517	8.8
94.98097	1.8
96.96006	1.9
98.19944	1.0
99.92564	0.7
115.92081	2.2
116.92844	1.8
122.98489	0.6
152.99585	3.7
164.98598	1.1
168.04333	3.2
179.89201	1.6
180.90050	1.5
196.89478	3.0
224.06915	7.9
225.00688	1.5
226.01027	0.6
236.92598	1.7
242.08020	2.0
279.03455	0.6
281.24854	100.0
282.25177	5.6
409.53445	0.7
506.32492	64.5
507.32745	7.0
580.28729	14.1
581.18170	4.6
581.28571	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16944	0.3
61.98832	100.0
69.92619	1.6
78.95910	0.6
96.96040	0.5
98.19911	0.4
99.92629	0.3
115.92120	0.7
129.63135	0.3
157.98921	0.3
168.02228	0.3
230.81902	0.3
241.91862	0.3
277.21783	1.6
278.22043	0.6
279.22443	0.4
343.20682	0.3
465.20529	0.3
487.13968	0.4
502.29709	1.1
505.30536	0.6
508.15039	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.6
59.05431	0.3
61.98835	100.0
77.76921	0.4
78.95940	0.4
84.39223	0.3
103.36483	0.3
121.51115	0.3
121.68644	0.3
152.99571	0.6
159.04555	0.5
198.03433	0.3
277.21799	1.8
278.22275	0.6
279.22266	0.4
280.22733	0.4
433.05450	0.4
502.29474	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.6
57.03434	3.6
58.00586	2.7
59.01384	55.1
65.48099	0.9
69.53755	2.2
69.54169	5.5
71.01387	52.0
72.99308	3.5
73.02956	12.9
75.00862	2.5
79.56870	1.1
79.70023	0.8
83.01399	8.6
85.02956	24.8
87.00877	4.1
87.04520	2.1
89.02448	37.3
89.93367	1.0
95.01395	6.0
99.00900	5.5
101.02449	42.7
111.00854	1.3
113.02453	30.5
119.03512	12.7
125.02425	3.0
131.03464	1.3
141.65298	0.9
143.03532	5.8
149.04471	1.2
159.03012	2.3
161.02466	1.2
161.04567	15.0
165.42310	1.0
166.39407	0.9
168.30983	0.9
168.73860	1.0
179.05615	8.7
217.10918	1.4
322.78824	1.2
323.09845	1.1
357.26239	1.2
375.27216	1.8
400.80649	1.1
417.24918	49.9
418.25293	3.5
579.30219	100.0
580.30615	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	579.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15983	0.5
55.01884	3.3
56.10970	0.6
57.03463	2.7
57.20418	0.5
58.00603	2.9
59.01382	60.2
60.01727	0.6
61.73051	0.5
71.01386	53.3
72.99302	3.8
73.02949	8.5
74.03257	0.6
75.00873	2.2
83.01380	4.9
85.02953	18.1
87.00867	3.0
87.54382	0.6
89.02450	35.7
95.01402	4.5
97.02937	1.0
99.00890	3.8
101.02451	35.9
111.00866	1.4
113.01689	1.1
113.02460	21.3
119.03500	15.3
119.43614	0.5
125.02470	1.1
129.01923	2.3
131.03497	2.2
143.03548	4.0
149.04552	1.1
159.02982	2.3
161.02394	0.7
161.04572	12.6
174.04301	0.6
179.05623	6.5
218.45476	0.6
233.08044	0.6
255.19788	0.6
269.04529	1.0
399.23730	0.7
417.24963	30.2
418.25113	1.9
519.28265	0.7
550.80658	0.6
579.30219	100.0
580.30621	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	579.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75916	0.3
55.01879	1.8
57.03450	1.2
57.32339	0.3
58.00590	0.3
59.01384	100.0
60.01727	0.5
69.03426	0.3
71.01391	19.9
71.61157	0.4
72.99324	0.7
73.02950	7.1
75.00876	2.4
83.01396	3.9
85.02954	11.2
86.00119	0.7
87.00893	1.4
89.02476	2.2
93.03470	1.0
95.01407	2.5
97.02972	0.9
99.00884	3.7
101.01778	0.8
101.02451	15.6
102.55972	0.4
109.02943	1.4
111.00903	1.0
112.01705	0.7
113.02457	9.1
114.93394	0.5
115.04031	0.5
119.03523	0.8
119.05064	0.3
124.01670	0.7
124.56136	0.3
125.02464	1.8
126.90446	0.4
130.58670	0.3
133.03003	0.6
135.04579	0.4
141.01868	0.3
143.03514	2.6
145.02933	0.4
151.00441	0.5
157.06636	0.4
159.02983	2.1
159.04509	1.1
161.02477	1.8
161.04572	5.5
161.05890	0.6
163.00415	0.5
165.53606	0.3
169.06557	0.5
173.06183	0.4
175.03955	0.3
178.99753	0.3
182.56075	0.3
183.04593	0.3
185.06064	0.8
187.04066	0.7
191.03470	0.7
211.03957	0.5
213.05602	0.5
225.05432	0.5
227.03516	5.8
229.05083	2.3
237.04073	0.4
239.03459	0.5
241.05037	0.4
253.05055	0.9
255.03004	10.5
255.05939	0.6
255.06662	0.5
256.03638	1.8
257.04514	1.3
267.06714	0.9
274.11874	0.4
275.82602	0.3
284.03247	12.7
284.06454	0.7
285.04041	19.4
286.04523	1.1
297.04010	4.3
298.04480	0.4
300.02783	0.7
357.22797	1.4
375.23819	2.8
445.23828	0.5
459.10562	0.4
463.08688	0.6
483.25931	0.4
489.27029	0.7
519.28113	65.6
520.28455	6.8
537.29187	29.1
538.29474	3.4
579.13617	18.4
579.29083	2.3
580.13879	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	579.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17480	0.7
59.01396	3.9
61.42033	0.6
61.98830	4.5
63.96230	1.6
69.03474	0.8
71.01389	9.3
73.02944	1.4
75.13395	0.7
78.57136	0.7
78.95917	3.8
78.98591	4.9
79.95744	9.0
80.96522	65.8
85.02942	3.0
87.00867	2.5
88.21077	0.8
89.02425	1.4
94.98092	16.4
96.96021	9.5
97.02944	1.3
101.02439	2.9
106.98096	3.1
113.02416	1.1
122.97577	3.2
125.02436	2.2
134.97598	5.0
136.99146	1.0
138.22060	0.9
148.99147	6.6
152.98619	4.8
152.99686	1.1
161.02449	0.8
164.98642	10.4
194.90022	1.1
206.99655	1.4
224.07013	0.8
225.00763	13.3
255.23265	1.5
279.23264	2.5
281.24847	9.6
299.04358	3.6
323.25946	2.2
341.10907	1.9
409.82767	0.7
469.19379	0.9
481.25696	1.5
491.40952	1.6
506.32260	6.2
529.76910	0.8
535.39978	6.6
579.28406	100.0
580.20349	1.3
580.28845	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	579.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52876	0.6
59.01373	1.2
61.43879	0.6
61.98840	1.1
62.93243	0.6
63.96218	0.7
65.59617	0.5
69.03450	0.6
70.76270	0.8
70.76608	1.3
71.01385	6.8
72.84209	0.5
72.99269	0.5
73.02949	1.7
78.95900	2.4
78.98602	6.0
79.95737	11.6
80.96521	62.1
81.03434	0.8
85.02967	2.9
87.00900	2.7
94.98087	14.3
96.96008	7.0
97.02932	1.2
101.02444	2.6
106.98116	2.9
122.97581	4.2
125.02412	2.3
127.04033	1.0
134.97604	4.7
136.99123	1.2
141.97032	0.6
148.99170	5.5
152.98607	5.7
152.99559	0.6
164.98634	10.8
177.89732	0.7
182.99684	0.6
206.99701	2.1
225.00745	14.4
234.93225	0.9
243.01949	0.7
245.04233	0.7
255.23232	1.1
279.23294	2.5
281.24768	1.7
299.04462	2.2
453.31415	0.6
579.28430	100.0
580.28760	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	579.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.9
59.60466	4.7
60.60365	4.9
61.60694	5.0
69.89713	28.9
75.00866	26.2
93.03477	27.9
109.02962	21.6
119.05024	28.1
121.02948	9.7
131.05078	10.1
133.02980	6.4
133.06544	5.8
135.04521	21.5
145.02972	9.7
145.43124	5.1
147.04514	24.8
149.06085	7.3
159.04469	15.9
161.02385	11.4
163.04022	6.3
177.01897	10.3
177.05580	100.0
194.97565	5.8
225.09468	5.7
253.08591	7.0
267.06436	7.9
271.09973	8.5
297.07303	6.4
360.23047	6.2
361.10901	7.3
417.48441	5.9
459.12115	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	579.1721
Annotation	Naringin chalcone
Peak:m/z	Relative Intensity
58.17537	0.7
59.01385	4.3
63.02401	2.9
65.00327	13.6
69.56849	2.6
69.57254	1.4
71.01396	2.6
73.02976	0.9
73.46737	0.6
75.00874	2.1
78.20274	0.6
83.01391	7.7
85.02964	1.3
90.74930	0.7
93.03471	6.9
101.02445	1.6
107.01400	23.2
108.02220	1.1
117.03502	1.2
119.05035	46.4
120.05373	0.9
125.02465	4.2
131.21542	0.6
133.02937	0.9
136.01697	1.3
137.02393	0.7
143.05052	1.3
145.02989	6.3
151.00381	100.0
152.00703	1.9
161.02501	1.9
161.06145	1.6
161.67290	0.7
163.04173	0.7
164.01170	2.2
165.01978	4.2
169.01463	1.4
175.00356	1.6
177.01947	7.6
185.06076	2.5
187.04010	2.6
193.01392	1.9
205.01350	1.1
227.07182	3.8
235.02412	3.1
269.04562	1.3
270.05200	1.1
271.06140	64.7
272.06421	4.4
313.07208	2.9
339.07172	1.0
370.32578	0.8
373.09387	1.9
459.11511	21.8
460.12036	2.0
519.27814	3.3
537.28876	1.1
579.17224	93.6
580.17554	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	579.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28812	1.2
69.49223	2.0
69.49627	7.1
71.01366	1.4
75.00867	3.6
93.03460	21.6
93.72072	1.1
96.44495	1.1
107.05070	1.2
109.02958	9.0
116.55331	1.0
118.99846	3.5
119.05029	10.9
121.06617	1.1
131.05058	7.2
133.06593	7.0
135.04469	2.6
145.02960	5.2
147.04544	13.0
149.06068	7.5
152.37897	1.3
152.91722	1.2
158.03703	2.8
159.04509	7.0
161.02386	2.9
163.03993	2.3
175.03987	3.4
177.05573	100.0
178.05923	4.5
220.93541	1.2
221.04474	1.9
249.17834	1.2
265.03503	6.5
373.32101	1.2
497.07608	1.5
574.44403	1.6
604.09814	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1357
Annotation	Kaempferol 3-vicianoside
Peak:m/z	Relative Intensity
55.01884	0.9
57.03470	0.7
59.01384	56.1
60.57221	0.7
65.00336	1.0
69.38353	5.7
70.68826	0.7
71.01390	10.6
72.13629	0.7
73.02953	2.8
75.00883	3.9
79.48286	0.7
83.01407	2.8
85.02964	5.2
86.42188	0.7
89.02483	1.8
93.03490	1.5
95.01389	1.0
99.00890	1.4
101.02450	8.5
107.01398	2.3
109.02969	2.6
113.02452	5.7
114.93429	1.8
119.05027	1.0
120.93532	1.0
125.02402	1.0
126.90427	2.3
135.00923	1.6
135.04544	1.6
143.03502	1.4
143.05029	1.5
145.02960	2.4
151.00389	2.4
159.03215	1.0
159.04457	3.9
161.02437	2.8
161.04567	3.3
161.05913	1.1
162.23460	0.9
163.00366	2.4
163.04089	0.9
167.05026	1.1
171.04510	1.1
173.06166	0.9
183.04492	0.8
185.02446	0.8
185.06064	2.5
187.03990	3.9
189.05606	1.4
191.03535	1.4
197.06143	1.3
199.04031	2.2
211.04033	2.5
213.05548	1.8
223.03888	1.0
227.03505	27.7
228.04015	1.0
229.01454	1.1
229.05072	12.9
230.05551	1.1
239.03491	3.0
240.04260	0.9
241.05145	1.0
253.05034	1.7
255.02992	48.1
256.03680	6.6
257.04556	7.0
265.05130	0.9
267.03021	1.0
267.06528	1.6
269.07965	0.8
271.02469	0.8
281.04398	1.0
284.03271	51.4
285.04050	100.0
286.04431	5.8
297.03989	2.7
297.07370	1.2
309.07779	1.1
327.12543	4.2
339.12323	3.3
357.09866	1.0
459.10687	1.4
485.08340	0.9
519.28174	30.0
520.28394	2.2
537.29181	13.3
579.13556	86.9
580.13947	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	578.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	21.0
61.98842	2.5
68.99579	1.5
69.44740	3.6
69.45153	1.0
71.01383	2.0
78.95908	21.0
78.98604	1.2
79.95755	3.0
80.96520	16.2
80.97005	0.9
81.96465	0.5
82.96094	0.7
85.02967	0.8
94.98093	3.4
98.19869	0.7
106.98067	0.7
107.28625	0.6
112.98579	1.7
122.97655	0.6
122.98498	0.5
134.97595	1.3
144.04951	0.5
148.99142	1.6
152.98532	0.9
152.99681	2.7
164.98611	1.9
168.04356	3.4
223.05307	0.5
224.06926	8.8
225.00766	2.9
226.01021	1.1
242.07977	1.7
271.24896	0.5
275.03922	0.5
279.23291	100.0
280.23593	7.0
299.04471	0.7
303.23386	2.6
434.09811	0.5
473.51813	0.6
486.34424	0.6
504.30991	69.2
505.31366	6.2
528.30847	2.9
578.27203	27.8
579.26990	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	578.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.9
61.98833	100.0
69.35556	1.4
69.35974	2.8
71.01409	0.6
75.13193	0.4
79.95746	1.1
80.96521	4.9
85.54149	0.4
94.98089	1.3
98.19894	0.8
122.97630	0.4
164.98625	0.6
189.79041	0.4
225.00739	0.9
255.09718	0.5
279.23282	1.1
280.23721	0.6
281.24103	0.5
313.26117	0.5
350.30051	0.6
579.28412	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	578.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.9
61.98835	100.0
70.21781	1.1
70.22166	0.6
79.95738	0.6
80.96516	2.6
85.09184	0.3
85.22153	0.3
86.46746	0.3
89.02440	0.4
94.98088	0.6
96.96013	0.8
107.76009	0.3
124.19557	0.3
164.98672	0.7
189.11302	0.3
225.00757	0.5
255.09930	0.4
255.23427	0.7
279.23389	0.7
280.23730	1.0
281.23984	0.6
282.24310	0.6
310.79901	0.3
341.11102	0.6
358.77957	0.4
491.40802	0.4
579.28467	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58525	0.3
56.17369	0.3
59.01382	13.3
60.83503	0.3
62.29596	0.3
67.15572	0.4
69.35285	2.5
69.35691	0.6
71.01394	1.0
76.49415	0.3
78.95904	5.4
78.98602	0.9
79.95733	1.1
80.96526	7.9
82.96111	0.5
94.98080	1.6
112.39851	0.4
122.97534	0.4
125.02485	0.4
134.97530	0.5
144.29604	0.3
148.99113	0.7
152.98537	0.4
152.99594	1.0
164.98596	1.0
165.98886	0.5
168.04311	1.4
175.12653	0.4
206.99715	0.4
224.06897	0.6
225.00728	1.1
226.01007	0.6
229.77492	0.4
242.08017	3.2
258.41727	0.3
276.03955	0.4
277.41797	0.5
279.23294	100.0
280.23636	6.5
285.88132	0.3
407.45377	0.3
504.30991	30.6
505.31363	2.4
519.27582	0.4
578.27258	15.0
579.26740	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	578.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09633	0.4
59.46170	0.4
63.07040	0.4
70.92753	0.7
70.93102	0.6
73.50082	0.4
78.95908	100.0
80.38976	0.5
87.03735	0.4
96.96970	7.9
113.28137	0.4
122.98564	1.3
127.11247	0.6
140.01180	0.5
140.04251	0.5
152.99594	15.6
167.14413	1.8
168.13936	1.5
171.00642	22.5
172.00967	0.4
194.05872	1.3
211.13466	2.1
228.73578	0.5
229.14433	0.6
232.17480	0.4
241.18108	1.3
268.09619	3.7
273.95239	0.4
366.16882	1.8
428.87601	0.5
480.23950	0.6
504.27667	0.6
554.67694	0.4
578.30994	66.7
579.31195	7.0
579.39355	0.6
609.90521	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
61.34854	19.9
61.98834	23.5
69.53385	58.1
69.53811	100.0
82.43892	19.9
89.11297	17.4
104.88515	20.7
116.29237	20.6
381.80173	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32301	1.0
54.05901	1.0
59.01384	18.5
66.27824	1.0
67.86084	1.1
71.01385	5.7
71.32935	1.6
80.96507	1.2
84.81423	0.9
89.02458	3.5
101.02463	5.4
113.02457	1.7
133.27740	1.2
149.97025	1.2
160.82819	1.0
161.04608	1.5
163.37526	1.1
235.08131	1.7
253.09306	21.2
281.24863	100.0
282.25201	6.1
299.04572	3.1
316.35492	1.0
528.50073	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01841	0.3
70.92973	0.8
71.05038	0.5
73.45009	0.3
78.95906	100.0
89.05700	0.3
96.96962	8.1
122.98528	1.3
127.11331	1.0
137.77902	0.3
152.98338	0.6
152.99594	14.1
167.14426	1.7
168.13921	1.4
171.00639	19.0
172.00986	0.4
194.05914	0.8
211.13420	2.4
214.04851	0.5
224.66180	0.3
229.14542	1.1
241.18150	1.5
248.09489	0.3
261.05264	0.3
268.09564	3.2
272.34604	0.3
282.20779	0.7
366.16870	1.3
428.75949	0.3
480.23755	0.5
504.27237	0.5
578.30981	59.8
579.31226	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	577.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.1
55.51391	1.0
57.03461	5.6
58.00593	5.6
59.01382	100.0
60.01711	1.6
60.99313	1.5
61.98838	1.6
63.69349	1.0
69.03476	1.5
71.01386	41.7
71.05029	3.4
71.61983	1.2
72.02164	1.1
72.99317	8.7
73.02952	23.6
75.00867	7.2
76.74803	1.1
83.01403	5.0
83.05009	1.2
85.02955	21.4
86.00086	1.5
87.00877	15.7
87.04519	60.3
89.02452	33.8
95.01369	1.7
95.05042	2.6
96.96010	2.3
97.02928	1.0
99.00870	1.7
99.04536	2.0
100.31260	1.2
101.02448	41.7
101.06009	1.1
103.04023	27.1
109.02944	2.7
113.02454	12.9
115.04025	5.0
116.92856	2.1
119.03516	21.3
119.47561	1.0
123.04533	20.7
123.08103	1.3
125.02471	1.4
127.04032	3.1
131.03522	10.9
135.04533	1.7
143.03500	14.4
145.02972	1.9
145.05051	7.5
161.02480	5.2
161.04539	2.8
161.13370	3.0
163.06134	80.0
164.06467	1.8
168.70763	1.1
201.11313	3.5
205.07195	22.1
205.12332	1.9
207.17523	4.7
213.11345	2.8
227.03290	1.6
227.12941	5.0
239.16519	1.8
247.05641	2.1
247.08218	35.9
251.16541	3.6
269.17575	97.4
270.17981	5.3
283.19125	1.9
285.04150	1.9
293.17581	44.1
294.17993	2.4
305.17325	1.3
307.10294	4.0
307.19098	1.4
311.18765	5.8
319.19122	4.3
323.18683	6.7
325.11243	1.7
335.18674	3.4
337.20221	4.6
397.22470	1.3
415.23367	7.4
489.33807	1.4
562.77490	1.4
577.27808	4.2
577.36847	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
63.40177	28.0
77.68538	27.2
90.21511	27.4
98.19859	100.0
99.33167	26.9
140.38391	26.7
155.08778	25.7
181.28099	25.6
229.69527	37.5
285.53210	31.4
482.32397	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	577.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15382	0.8
55.01868	1.2
55.13302	0.8
57.03453	1.5
58.00595	1.5
59.01384	33.8
61.98836	2.9
69.64532	6.5
71.01388	14.6
72.99317	1.4
73.02943	7.6
75.00884	3.0
78.85700	1.0
78.95924	1.1
83.01379	2.9
85.02962	5.8
87.00874	4.2
89.02459	6.7
95.01411	1.2
96.96033	1.3
99.00876	1.1
99.92550	1.7
101.02456	12.9
103.70019	0.8
113.02458	5.4
113.09743	0.9
116.92873	11.3
117.01936	1.3
119.03512	2.0
125.02451	2.2
125.09698	2.7
135.04527	2.0
141.01785	1.3
143.10805	1.3
148.15219	0.9
161.04544	3.2
171.10281	6.8
179.91664	0.9
186.12328	1.0
220.99803	1.0
229.00604	0.9
238.78935	1.2
253.09366	5.3
311.22324	3.0
329.23346	16.4
341.23422	5.7
415.26889	1.7
473.27472	5.9
491.28702	22.8
492.28812	2.3
533.29712	100.0
534.30084	11.4
577.36389	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	577.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.2
57.03451	1.1
59.01380	25.9
60.44778	0.8
60.67717	0.9
61.98817	1.3
69.47617	3.4
69.48048	3.5
71.01386	11.2
72.99306	1.5
73.02937	5.2
75.00872	2.6
78.95925	0.9
83.01402	1.9
85.02950	4.1
87.00877	2.8
89.02458	3.9
98.20634	2.0
99.00858	1.1
99.92617	1.5
101.02440	8.2
109.02947	1.3
113.02460	3.5
116.92851	9.8
127.11364	1.0
143.48721	0.8
150.57852	0.9
150.72763	0.9
155.10725	1.3
171.10298	7.3
253.09294	2.8
311.22287	3.6
329.23334	14.5
341.23325	3.1
473.27383	6.6
491.28638	21.2
492.29187	1.2
533.29694	100.0
534.29938	10.6
577.35272	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	577.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70596	0.5
56.34130	0.5
59.01384	4.8
61.98835	5.5
63.96244	1.6
68.99556	1.1
69.03448	0.9
71.01388	6.1
71.38086	1.3
73.02941	1.4
76.35149	0.5
78.95900	3.9
78.98609	6.9
79.95741	11.7
80.96522	67.2
81.03436	0.9
85.02950	3.7
87.00912	2.7
87.41526	0.6
94.98090	15.7
96.96008	1.3
97.02946	1.4
101.02425	2.7
106.98093	3.7
122.97567	2.3
125.02430	2.0
126.27137	0.5
127.04035	1.3
134.97594	5.2
136.99158	1.1
141.85201	0.6
148.99130	6.3
152.98622	5.2
152.99686	0.9
164.98648	12.4
206.99664	1.9
224.06981	1.5
225.00717	14.2
226.00964	0.5
253.21834	0.5
277.21686	2.0
279.23285	18.2
299.04471	2.5
323.76370	0.7
479.58136	0.7
504.30997	12.0
577.26874	100.0
578.27136	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	577.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00684	0.3
57.03441	0.4
59.01382	8.4
59.36366	0.3
63.96238	1.2
69.03465	0.4
69.31966	3.5
71.01391	7.1
73.02943	1.8
78.95911	2.9
78.98599	4.7
79.95739	8.9
80.96521	62.1
81.03436	0.5
83.01414	0.4
85.02964	2.6
85.38668	0.3
87.00880	2.1
94.98091	14.0
95.01426	0.6
95.22073	0.4
96.96023	1.2
97.02943	1.5
99.00880	0.6
101.02459	2.6
106.98091	2.9
117.43262	0.3
122.97593	4.4
125.02439	2.6
127.04064	0.7
134.97603	4.3
136.99159	1.3
148.99144	5.7
152.98615	5.6
152.99681	0.7
164.98633	10.3
168.04332	0.8
182.99706	1.7
206.99709	3.0
224.06976	0.5
225.00731	13.3
242.07921	1.2
243.01755	0.9
277.21747	2.2
279.23297	53.3
299.04453	2.0
504.30981	16.5
577.26874	100.0
578.27258	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	576.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	28.9
61.98827	2.2
71.01383	3.1
71.61687	1.6
75.00891	1.3
78.95916	28.3
78.98589	2.5
79.95747	2.7
80.57788	1.1
80.96522	22.5
88.00436	2.1
89.02441	1.5
94.98091	3.8
96.96023	1.7
122.97553	2.0
134.97598	1.5
138.07408	1.1
148.99052	2.0
152.98523	1.8
152.99615	3.9
164.98653	3.2
168.04298	3.2
224.06949	11.5
225.00752	4.7
242.08052	1.6
277.21735	100.0
278.21997	4.5
300.61578	1.4
502.29456	74.6
503.29672	6.7
577.26965	37.5
577.36084	2.4
591.03839	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01350	1.7
69.60914	2.7
69.61341	4.2
71.01375	2.3
72.99328	1.3
75.00876	14.7
85.02964	1.7
96.96008	1.5
98.20601	2.0
99.00867	3.2
101.02424	1.0
108.02141	1.7
109.02956	86.8
110.03253	1.8
117.03427	1.2
119.05019	2.7
121.02956	3.3
123.04540	1.2
133.02940	2.9
135.04523	9.5
137.02472	1.6
145.02928	5.8
146.03665	1.5
147.04550	7.3
157.02942	4.1
158.03806	1.4
159.04507	25.3
160.04736	1.2
161.02432	6.4
162.95898	0.9
163.03989	1.1
173.02415	4.2
173.06044	1.7
174.03185	1.1
175.03984	5.7
177.05585	2.3
185.00891	1.6
185.02446	29.8
185.04102	1.5
185.06071	0.9
186.03087	3.0
187.03909	1.5
191.03455	1.6
197.06056	1.2
199.04111	1.3
203.03447	7.3
217.05035	4.1
225.05597	3.0
226.06354	3.7
229.01398	7.9
237.03773	1.3
237.05771	1.4
238.06403	1.2
239.07089	2.2
241.08650	5.4
243.06593	1.8
249.05452	3.5
250.06300	1.3
251.07114	1.6
253.05028	3.0
254.05554	1.7
255.06674	2.2
265.05072	2.7
266.05783	2.7
267.06622	8.8
269.08215	10.9
277.05133	6.8
278.05725	1.3
279.02979	1.1
280.03772	2.0
293.04453	4.2
294.05322	4.1
295.06107	100.0
296.06519	6.9
309.07672	1.8
311.05444	1.3
313.07288	5.4
313.10431	1.2
327.08707	2.4
327.12402	3.0
337.07211	2.1
339.05093	19.4
343.04648	1.2
368.45251	1.0
371.07776	10.2
413.08948	2.1
457.11426	55.9
458.11664	4.1
475.12424	4.4
501.10416	10.4
519.11096	1.3
533.13159	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	577.1366
Annotation	Robinetidinol(4alpha-6)catechin
Peak:m/z	Relative Intensity
57.03455	15.7
58.01339	1.3
61.98815	1.9
64.88261	1.4
70.09557	5.9
70.09910	2.3
71.01432	1.3
75.00878	12.7
81.03442	2.0
83.01374	3.8
93.03448	4.7
95.05059	3.0
97.02953	5.8
99.00885	2.3
109.02968	31.0
114.42179	1.4
119.05016	2.8
121.02953	3.0
123.04543	12.8
125.02457	100.0
133.02905	7.1
135.04546	16.2
137.02464	17.4
139.04057	2.4
145.02939	3.8
147.04514	4.5
149.02452	8.5
149.06087	1.7
151.04013	12.8
159.04497	7.6
160.05154	2.3
161.02449	35.9
161.06020	3.9
162.03271	1.9
163.00397	1.8
163.03990	4.9
164.01097	3.9
165.01938	4.8
167.03528	1.7
170.37686	1.5
175.04057	9.0
176.04558	1.4
177.01956	6.5
177.05568	5.6
179.03505	5.0
185.02409	1.8
187.03973	5.4
188.04756	4.2
189.05475	1.9
199.03983	1.7
203.03485	3.3
203.07135	11.1
204.92986	1.9
205.05124	7.8
217.05060	2.3
227.07126	4.0
229.05066	2.4
237.04018	1.8
241.04926	1.6
243.02974	2.0
245.04497	6.5
245.08220	11.9
253.05199	2.2
255.02971	9.6
256.03723	5.4
269.04675	1.7
273.04138	3.7
281.04498	3.5
283.02463	1.7
283.09641	1.9
285.04053	3.4
287.05664	8.7
289.07196	68.2
290.07501	3.9
295.06165	12.2
299.05634	7.1
339.05087	3.5
339.08798	4.4
364.97952	1.5
407.07718	70.0
408.08124	6.7
410.81268	1.5
425.08679	23.9
426.08591	1.6
451.10364	12.5
456.73877	1.5
457.11600	4.3
577.13477	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	577.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64560	3.4
59.01095	7.0
59.01379	100.0
61.98829	10.2
67.01870	3.3
69.25827	2.7
71.01392	33.7
71.61526	3.0
71.61934	3.0
71.63400	3.3
72.99323	5.0
73.02948	27.8
73.75156	3.0
75.00875	7.4
78.95905	8.7
81.03426	3.5
83.01405	6.0
85.02959	8.8
87.00861	7.0
89.02441	28.3
97.06561	4.5
99.92566	6.4
101.02447	36.4
103.03988	6.6
109.02962	3.3
113.02437	14.9
115.04022	3.5
116.92848	17.1
119.03512	7.9
119.05076	2.8
125.02406	6.4
131.03539	6.4
141.01692	3.4
143.03542	6.1
145.05112	4.3
161.02431	3.3
161.04555	6.6
163.06148	40.3
167.10747	12.7
171.10304	5.4
191.10725	4.6
193.12265	5.1
205.07166	12.3
223.93494	3.7
224.11516	3.4
225.14944	7.3
242.17818	3.2
247.08209	14.3
251.06456	3.1
253.09317	21.3
341.23309	51.9
342.23297	3.9
354.56952	3.3
533.29828	9.1
572.67609	4.4
577.35522	5.9
588.68726	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	575.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.9
56.51612	1.0
57.03453	3.5
58.00586	3.2
59.01384	86.3
61.98834	5.3
71.01389	65.7
72.99323	7.9
73.02953	13.3
75.00862	7.2
77.99409	1.0
78.95927	1.6
83.01398	8.4
83.64087	1.2
85.02956	20.1
87.00887	11.6
87.04536	1.8
89.02455	46.7
91.04043	3.5
95.01391	5.8
96.96032	1.7
97.02982	2.3
97.06601	2.2
99.00887	2.7
99.04522	1.9
99.92615	4.6
101.02454	60.5
102.02863	1.6
102.49221	1.1
109.02953	1.7
113.02454	31.7
113.06104	1.3
115.07666	2.3
115.92090	6.5
116.92867	25.1
117.52292	1.4
117.92865	1.5
119.03527	13.2
119.05028	1.9
125.02460	3.2
131.03516	2.7
135.04501	1.8
137.02528	2.3
142.15460	1.1
143.03519	4.9
145.03035	2.9
161.02510	6.0
161.04565	27.2
161.05849	2.4
171.10431	1.1
179.05598	6.4
201.11482	1.7
253.09300	63.7
254.09610	3.1
267.16135	2.7
279.02997	1.3
295.06012	1.4
313.20325	1.2
321.24625	1.4
334.00620	1.3
353.23535	3.0
371.24637	1.8
413.29721	2.7
475.25549	29.2
476.25693	1.7
499.29031	1.7
517.30823	1.7
531.29456	1.5
557.33734	2.4
575.34564	100.0
576.34882	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	576.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81215	0.6
56.63033	0.5
59.01380	4.2
61.98825	2.1
68.25806	0.5
71.01381	1.3
71.10313	1.1
71.75197	0.7
73.02971	0.8
75.00876	1.2
75.32965	0.6
78.95907	100.0
83.83651	0.6
85.02958	0.7
96.96966	10.2
109.02934	0.8
112.68375	0.5
113.02447	0.6
122.98526	0.9
127.11292	1.6
130.96503	0.6
133.02951	0.9
135.04529	9.1
136.04826	3.8
145.02931	1.1
152.99591	19.6
159.04492	1.7
160.04813	0.8
161.02441	2.2
162.02808	1.1
168.14000	4.2
171.00644	20.8
194.05849	1.3
204.79088	0.6
259.23260	0.7
268.09573	3.4
281.17596	0.9
295.19016	0.7
296.19498	0.8
312.12201	1.2
337.23987	1.3
366.16498	1.2
369.23004	0.9
370.23083	1.2
396.22342	1.1
458.22400	1.0
478.21921	1.0
532.26331	8.1
576.29370	68.3
577.29358	6.6
577.37347	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70031	0.3
55.34057	0.2
59.01401	0.4
61.98834	100.0
69.42087	2.2
71.01425	0.3
73.75923	0.3
80.96533	1.2
100.60757	0.3
149.74945	0.3
153.78455	0.2
225.00769	0.2
277.21701	0.7
278.22156	0.8
279.22504	0.7
298.77850	0.3
577.26917	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	576.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78669	0.2
56.66399	0.2
59.01371	0.3
61.98832	100.0
70.22018	0.7
71.01400	0.4
80.96519	0.7
86.89379	0.2
91.72897	0.3
96.51036	0.2
151.70987	0.2
171.62756	0.3
277.21838	0.3
278.22031	1.2
279.22482	0.6
280.23044	0.3
284.99826	0.3
292.73590	0.2
452.83365	0.3
577.26898	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94183	0.2
59.01383	15.9
64.54367	0.3
78.95904	6.1
98.20646	0.6
152.99580	1.2
168.04312	1.5
184.93401	0.3
203.85716	0.3
220.96706	0.3
224.06920	1.0
233.22798	0.4
242.08034	3.0
242.52994	0.3
259.20535	0.5
275.20139	0.4
277.21719	100.0
278.22095	7.2
428.94330	0.3
502.29434	34.1
503.24203	0.3
503.29886	2.8
576.25488	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	25.4
61.98829	2.6
69.31254	1.6
69.94110	0.4
75.00896	0.7
78.95908	24.3
80.96531	0.5
82.40711	0.5
89.09379	0.4
91.10468	0.4
96.96004	0.9
98.19888	0.7
100.59695	0.4
122.98530	1.1
136.65421	0.4
150.95828	0.4
152.99594	3.5
168.04326	3.8
179.03557	0.4
199.40382	0.4
209.45164	0.5
224.06950	9.6
242.08031	2.4
247.13983	0.5
259.20667	0.8
275.20111	0.7
277.21719	100.0
278.22086	6.2
502.29425	77.1
503.29742	7.9
590.67072	0.5
594.24695	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.25
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51375	0.7
57.03449	1.4
59.01373	2.7
61.03895	0.7
61.98845	0.7
69.03451	0.9
71.61199	1.5
74.57499	0.6
86.88544	0.7
91.04010	1.2
93.25002	1.1
109.02944	2.2
113.29066	0.7
115.05540	1.2
130.04277	3.8
131.05052	7.0
133.02972	1.2
134.03731	0.9
135.04530	26.5
141.03456	2.0
158.03749	2.2
159.04524	100.0
160.04839	2.7
161.02438	2.6
172.05348	1.0
175.03932	1.1
185.06100	0.9
201.05531	2.7
203.02013	0.9
203.03566	8.6
207.17474	1.0
209.19084	3.5
211.17067	0.9
225.18764	1.9
227.03400	0.8
253.18051	4.2
279.16083	2.8
331.65833	0.8
351.23035	1.0
353.21436	1.0
367.22794	2.0
369.20691	2.2
371.20313	1.3
395.22360	3.9
411.21844	9.7
412.22134	1.0
415.21320	3.6
421.20239	0.9
439.21167	2.2
457.22385	10.2
458.22797	1.5
483.19824	1.1
501.21521	6.1
531.25861	2.6
575.24963	98.4
576.25317	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	575.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11576	2.3
55.43325	2.0
58.90785	2.3
59.01379	5.9
60.99311	10.7
61.98829	3.1
71.45409	4.3
88.00421	17.1
88.98814	100.0
89.00709	3.1
89.02451	88.9
107.82608	2.6
110.45438	2.7
148.90993	5.5
153.39241	2.6
305.32437	3.0
324.97812	4.8
470.13751	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	67.5
71.01388	56.3
71.61948	7.0
73.02939	11.0
75.00887	13.7
82.66425	5.2
85.02947	10.9
88.18996	5.2
89.02457	28.5
95.05032	22.8
101.02452	26.6
106.06634	52.4
107.06972	13.8
109.02891	6.5
113.02429	11.1
116.92876	29.5
125.02479	12.8
131.03513	26.7
135.04449	6.1
135.08119	11.4
145.03033	6.0
149.04575	25.5
150.05579	31.8
151.05942	18.0
151.11295	29.2
161.02446	15.2
175.04085	7.2
177.09209	56.4
179.03539	6.5
191.05615	26.8
195.10268	100.0
196.10631	5.8
219.10213	46.9
233.06612	28.3
237.11293	15.4
279.02878	15.1
339.65448	5.5
370.11218	22.4
371.11890	32.7
575.14685	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	575.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38210	0.5
59.01382	6.2
60.99311	15.1
61.98818	0.9
62.12137	0.5
69.31459	0.9
69.31859	4.8
69.61266	0.4
71.01385	0.8
72.99327	0.7
73.02916	0.6
73.32615	0.5
75.00894	0.9
88.98813	100.0
89.99140	0.6
101.02454	0.9
103.92120	0.5
254.91251	0.5
489.13550	1.4
545.09406	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40427	1.2
57.54365	1.0
59.01386	16.1
61.98836	2.4
63.04628	1.0
70.20094	3.9
71.01376	3.9
73.02961	1.5
75.00899	1.7
78.95909	60.9
80.20474	1.1
88.98799	1.1
89.02437	1.3
96.96976	4.8
101.02457	2.6
108.02203	2.9
109.02940	7.0
113.02467	1.4
122.03708	1.2
127.11304	1.5
130.04303	1.2
131.05090	1.5
133.02953	7.2
134.03735	2.6
135.04535	100.0
136.04893	3.1
145.03003	1.9
152.99625	9.7
159.04527	19.7
161.02451	28.1
161.06100	2.5
168.13936	2.6
171.00641	13.5
171.04626	1.1
172.05316	1.9
175.03885	1.4
185.06119	2.3
188.04851	2.0
199.03896	1.4
213.05557	3.1
214.06305	1.4
233.19102	3.2
251.20195	1.2
253.09294	1.7
259.17050	2.0
268.09534	1.2
273.18405	1.8
277.18115	15.1
278.18671	1.6
295.19098	10.2
309.24200	1.1
327.25256	5.6
351.22989	1.2
367.22476	1.5
369.22858	19.0
370.23392	1.2
395.22238	19.1
396.22510	1.7
413.23306	7.5
414.24014	1.2
439.21173	9.7
457.22284	6.1
487.27005	2.6
489.30682	2.3
531.25818	75.0
532.26215	7.3
533.33838	1.9
545.28241	1.9
575.34558	12.0
576.29419	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69256	1.3
62.91058	1.1
69.32052	12.4
75.00863	3.1
75.20378	1.2
83.01408	1.5
91.96375	1.1
93.02921	2.0
93.03471	23.6
96.96038	2.0
102.05630	2.2
109.02979	1.4
118.99867	5.6
119.05037	11.2
128.03473	1.5
131.05055	7.9
133.02913	1.5
133.06592	7.9
135.04514	3.8
145.02985	6.2
146.04578	6.2
147.04535	15.7
149.06099	5.6
159.04492	5.4
161.02489	2.2
163.04083	1.3
175.04005	5.0
177.05583	100.0
178.05899	4.6
180.74220	1.3
265.03568	8.3
308.07709	5.8
389.29477	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53574	0.7
54.69302	0.8
59.01381	100.0
65.88578	0.7
68.26553	0.7
78.95920	1.0
95.35400	0.7
96.07652	0.7
98.19855	1.8
119.05029	74.0
120.05390	2.8
146.64650	0.7
159.63438	0.8
160.09972	0.7
277.21765	1.1
396.57867	0.7
437.99911	0.7
593.60272	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55043	1.4
57.03434	3.9
59.01380	35.1
61.98828	7.1
69.03454	2.4
69.26918	1.9
69.27233	17.2
71.01391	8.7
71.05022	2.2
73.02964	7.9
75.00882	5.6
78.95918	2.3
83.05025	10.4
85.02976	2.1
87.00875	2.9
87.04513	4.4
89.02464	3.2
93.03457	2.6
95.05018	2.2
96.96020	2.3
97.06603	7.0
99.04514	3.0
99.08140	2.9
101.02467	5.5
101.06092	5.5
109.06612	7.6
111.04520	21.9
111.08173	3.3
113.02448	4.0
123.08177	7.7
125.02439	3.8
125.09715	2.0
127.07658	23.9
135.04463	1.7
135.08189	6.0
137.02446	6.2
138.06862	2.0
143.10748	2.3
145.03015	3.6
152.04807	4.4
153.09245	8.7
155.10733	2.1
156.34410	1.5
161.02362	2.2
167.14386	3.2
174.16293	1.9
209.15469	2.4
211.13481	1.8
233.19159	1.7
253.09308	2.8
339.25507	4.1
365.23532	4.1
383.24606	4.6
385.25949	15.1
388.04156	2.1
405.30212	5.1
411.20023	3.2
423.30988	8.0
445.28052	10.3
445.53577	1.6
449.28683	2.4
469.31720	100.0
470.32040	11.2
477.28693	2.1
495.29623	72.9
496.30423	7.8
513.30695	35.2
514.30933	5.0
529.34100	17.0
530.33728	1.9
537.27313	6.5
538.27832	2.0
555.31714	55.4
556.32220	5.6
573.32916	71.0
574.33386	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	573.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.0
57.42834	0.5
58.00588	2.2
59.01383	5.5
67.88544	0.6
69.46294	3.5
69.46707	1.2
71.01387	1.6
71.37601	0.5
72.02166	1.7
72.99331	0.7
73.02954	2.9
75.00874	3.7
85.02940	1.1
85.06608	0.8
87.04513	3.7
89.02460	0.7
95.04984	1.2
96.64024	0.5
97.06598	2.2
98.20572	1.1
101.02454	1.1
111.08127	0.6
113.06078	2.1
119.05028	0.8
121.06690	0.7
123.08166	6.0
125.06126	0.8
125.09728	11.5
127.11289	1.7
137.09756	0.7
139.07675	0.9
141.09232	11.3
141.12373	0.5
145.02972	2.3
153.09224	0.7
155.10748	1.9
161.04506	0.6
167.07169	0.8
171.10287	4.8
177.05583	0.6
185.08212	0.8
199.09755	1.7
201.11328	100.0
202.11638	4.3
209.51364	0.6
238.42116	0.5
255.19685	0.6
265.05228	0.7
275.03467	0.6
283.15918	1.2
283.19122	10.8
285.53183	0.6
285.66104	0.6
293.04367	0.8
309.17093	9.2
325.20050	0.7
327.18222	2.0
409.12903	0.9
438.48499	0.6
467.30185	12.0
468.30475	2.0
485.31232	11.4
486.31723	1.0
493.28061	3.0
497.16360	0.7
511.29083	12.9
512.29590	1.6
529.30231	14.4
530.30627	1.6
573.29303	2.1
603.32098	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62732	1.1
55.01887	1.4
57.03448	1.7
59.01385	76.1
61.98836	100.0
69.94970	5.2
71.01384	16.8
73.02955	8.1
74.08409	1.1
75.00874	3.5
75.07652	1.1
78.22574	0.9
83.01392	4.4
84.15825	1.0
85.02956	8.4
87.00882	3.5
88.25460	1.1
88.64412	1.1
89.02463	3.6
95.01380	1.3
96.96014	2.1
99.00883	2.1
101.02444	13.0
113.02456	8.7
116.92869	2.4
125.02461	2.5
125.09832	1.2
131.03500	2.5
143.03453	1.7
145.02928	2.4
161.04555	6.1
167.03329	1.4
168.41113	1.1
171.10382	1.1
201.11324	4.7
202.11723	1.5
213.11328	1.4
215.12875	2.3
216.13374	1.2
217.10815	1.4
230.59906	1.1
253.09099	1.4
268.63358	1.0
281.17636	1.1
285.04068	2.1
291.18158	13.6
325.16611	1.7
333.19141	7.2
423.22491	17.9
465.23453	36.5
466.23682	3.3
572.28375	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	5.4
57.03453	2.5
58.00599	1.9
59.01384	96.0
69.03460	3.6
69.27660	11.1
71.01387	30.3
72.99314	4.3
73.02955	41.5
75.00890	6.7
79.10842	0.9
81.03456	1.1
83.00938	1.0
83.01379	5.6
83.05014	1.2
85.02959	14.8
86.00109	4.0
87.00887	18.4
87.04522	8.0
89.02448	14.7
93.03492	1.0
96.96013	1.7
97.02972	1.9
97.06616	1.4
98.20642	2.0
99.00863	1.9
99.04527	1.5
101.02454	43.8
103.04015	15.0
107.05040	1.5
109.02950	1.9
111.04564	1.0
113.02448	9.2
115.04031	9.9
116.92862	4.3
119.03527	5.9
119.05005	2.0
125.02444	4.5
125.06093	1.5
127.04008	1.9
131.03522	17.1
133.10278	1.1
133.69858	1.2
135.04532	1.6
135.11801	17.5
143.03517	19.5
143.86281	1.0
145.03024	5.0
145.05083	6.1
147.03362	1.2
155.03432	1.0
159.08139	3.2
161.04616	3.0
161.09724	16.4
163.06133	51.9
164.06470	2.7
164.51344	1.1
165.62300	1.0
167.72554	1.2
177.12837	2.9
179.10782	100.0
180.11090	4.6
193.12257	2.0
203.05547	1.9
203.10873	1.7
205.07155	29.6
205.08778	7.4
221.11827	9.9
222.12143	1.1
223.09755	12.8
245.96933	1.1
247.08192	15.6
263.12817	1.8
265.09064	2.0
265.11285	1.5
265.14337	1.7
285.03937	1.2
289.09464	2.3
367.17636	12.7
369.15536	1.5
374.16422	1.1
409.12836	2.5
411.16632	14.0
412.16660	1.1
485.31314	1.1
573.21991	9.7
573.30011	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	8.6
59.01376	26.3
60.26455	1.3
61.98837	1.2
69.03444	3.1
71.01385	16.2
72.99294	1.6
73.02953	3.6
75.00871	1.3
78.95909	1.4
78.98570	1.7
79.95729	1.5
80.09354	1.3
80.96521	7.4
80.96936	1.3
83.01365	1.9
83.05042	3.2
85.02966	3.5
87.00888	2.2
89.02451	9.7
95.05006	1.9
97.02954	4.4
97.06615	1.8
99.08160	4.4
101.02453	13.5
101.88541	1.4
113.02464	6.4
113.09734	5.0
118.04321	1.3
119.03471	1.8
119.05019	2.1
121.10258	2.2
125.02428	1.7
129.09233	3.4
131.03578	1.5
139.11259	2.5
143.03517	1.7
146.28516	1.5
161.04582	5.7
167.10742	9.9
173.13350	7.1
175.11299	1.5
189.12814	2.1
191.14377	2.9
193.12354	12.9
205.12305	2.6
207.13950	3.4
217.12314	3.1
223.13318	1.8
235.13368	9.6
253.09286	51.0
254.09572	2.4
255.21208	4.3
273.22266	2.3
317.21259	12.7
335.22284	100.0
336.22610	6.9
571.27899	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29432	0.9
59.01382	21.6
61.98857	1.1
70.74918	3.1
71.01393	4.5
78.95905	1.6
87.00838	1.0
89.02456	4.0
100.64776	0.9
101.02445	4.0
104.80105	1.1
113.02446	1.6
129.05336	1.1
152.99648	1.6
161.04579	1.5
211.73720	1.1
231.21051	3.3
236.33003	1.1
253.09303	20.3
275.20157	100.0
276.20544	6.4
294.18478	1.0
306.44592	1.0
501.40225	1.2
571.28766	1.3
588.90295	1.2
594.87726	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	2.7
58.00589	1.8
59.01094	1.8
59.01385	30.6
61.98829	4.6
62.43644	1.1
62.66290	1.0
71.01386	2.9
71.61777	1.7
73.02951	3.2
74.95614	1.1
75.00874	3.1
78.95867	1.6
83.05040	1.2
85.02939	1.2
87.00883	18.9
87.04523	3.3
89.02421	1.0
96.95989	1.8
97.06605	3.0
101.02408	1.4
111.04521	1.2
111.08160	1.2
111.84875	1.0
113.02480	1.6
113.06100	1.5
123.08170	3.9
125.02467	1.7
125.09723	9.9
127.11205	1.2
135.04535	1.2
145.02977	1.7
167.07159	1.3
171.10289	6.2
187.09756	2.8
199.09846	1.2
201.11337	100.0
202.11714	3.8
251.16484	3.0
297.25842	1.2
307.15457	2.1
309.20596	1.1
325.16553	1.3
349.20053	1.8
369.15414	5.0
409.38120	1.1
465.29175	6.4
467.30063	2.0
475.27011	1.1
483.25192	2.0
483.30405	1.8
491.26514	1.3
493.28009	2.3
527.29199	1.4
571.27399	28.7
572.28046	3.4
583.07751	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2889
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
55.82809	0.7
61.60779	0.6
68.82037	0.6
70.53188	2.3
78.95906	56.8
96.96960	12.2
110.67585	0.6
112.40527	0.6
113.10129	0.6
121.25171	0.7
123.88136	0.6
152.99591	50.0
153.99957	0.8
186.86717	0.6
202.45673	0.6
223.00174	1.6
241.01170	24.5
242.01489	1.2
242.89189	1.7
255.23299	62.5
256.23615	4.5
259.02036	0.6
315.04865	7.3
391.22720	4.9
453.74835	0.7
461.51511	0.7
571.28876	100.0
572.29163	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	8.6
58.00584	4.1
59.01385	45.8
61.98843	16.3
70.07889	6.2
70.08289	4.1
71.01380	12.0
71.04998	3.3
72.99276	3.5
73.02960	29.8
75.00900	11.1
83.05003	3.3
85.02936	7.2
87.00884	100.0
87.04517	17.8
88.98768	2.9
89.02399	5.8
97.06586	8.1
98.20515	3.0
99.04516	6.9
101.02445	4.7
101.06060	6.7
105.07076	2.3
111.08237	2.1
113.02418	3.7
113.06055	6.4
113.99858	2.6
115.03967	4.1
119.05041	3.8
121.06600	2.9
123.08132	9.4
123.59228	2.5
125.02409	9.7
125.06061	11.8
125.09728	14.9
137.09737	2.2
139.62230	2.1
141.09196	3.9
145.02948	4.1
146.85403	2.2
149.09715	4.2
151.11249	9.5
153.09224	4.6
155.10754	3.4
161.02405	2.7
167.07127	3.5
171.10281	56.0
179.05565	2.6
187.09727	8.8
199.09709	5.4
201.11343	55.1
203.12877	4.0
207.13951	5.0
207.36079	3.2
209.15445	2.4
213.11330	85.9
214.11708	3.0
217.10815	31.5
218.10916	2.3
231.12350	35.4
233.15302	3.8
251.16504	13.3
279.16052	2.9
295.15524	28.7
296.15659	2.4
324.14322	2.5
331.09918	2.3
339.14481	59.3
340.15201	2.6
353.16025	3.1
367.21219	4.2
367.25458	2.4
409.18411	3.5
450.25757	2.5
465.28885	5.2
483.29364	2.8
505.21066	3.1
527.28278	6.8
529.22571	2.6
571.27460	98.8
572.27661	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	571.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83953	0.7
53.49584	0.6
57.03454	4.9
59.01384	11.2
61.98817	0.8
63.02258	0.6
70.79504	0.8
71.01389	2.5
71.05032	1.1
71.60671	0.7
71.61118	1.0
72.75504	0.8
73.02953	100.0
74.03271	0.7
75.00877	3.6
83.05014	1.3
85.02945	1.4
85.06543	0.8
87.00886	14.7
87.04522	40.5
92.26233	0.7
97.06596	1.1
99.04567	1.9
101.02450	0.9
109.06640	0.8
111.04504	1.3
113.02450	1.4
113.06080	1.3
119.05040	3.4
121.06637	0.7
123.08189	1.8
124.15361	0.8
125.02457	2.5
125.06100	2.3
125.09728	2.4
139.07628	2.0
141.09259	0.9
142.06602	0.9
143.07164	1.4
145.02972	6.1
153.09227	1.1
161.02509	1.0
169.28728	0.8
171.10283	3.7
173.11850	1.3
174.03241	1.4
187.09776	11.7
199.09821	0.9
200.91554	0.8
201.11273	2.7
217.10815	49.5
218.11107	2.1
219.79413	0.7
221.04536	1.1
231.12338	2.1
283.15622	4.0
309.16965	2.0
323.18564	1.0
335.22131	1.9
337.24036	1.0
349.12030	1.0
353.16037	2.8
356.39731	1.0
357.22763	2.2
375.09872	1.5
395.13727	0.8
421.25900	2.0
439.26886	2.2
465.28946	7.5
483.25400	3.3
483.29333	10.6
495.15314	1.8
509.27240	1.7
527.28693	6.7
528.29242	0.8
571.27423	28.7
572.27673	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	571.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83953	0.7
53.49584	0.6
57.03454	4.9
59.01384	11.2
61.98817	0.8
63.02258	0.6
70.79504	0.8
71.01389	2.5
71.05032	1.1
71.60671	0.7
71.61118	1.0
72.75504	0.8
73.02953	100.0
74.03271	0.7
75.00877	3.6
83.05014	1.3
85.02945	1.4
85.06543	0.8
87.00886	14.7
87.04522	40.5
92.26233	0.7
97.06596	1.1
99.04567	1.9
101.02450	0.9
109.06640	0.8
111.04504	1.3
113.02450	1.4
113.06080	1.3
119.05040	3.4
121.06637	0.7
123.08189	1.8
124.15361	0.8
125.02457	2.5
125.06100	2.3
125.09728	2.4
139.07628	2.0
141.09259	0.9
142.06602	0.9
143.07164	1.4
145.02972	6.1
153.09227	1.1
161.02509	1.0
169.28728	0.8
171.10283	3.7
173.11850	1.3
174.03241	1.4
187.09776	11.7
199.09821	0.9
200.91554	0.8
201.11273	2.7
217.10815	49.5
218.11107	2.1
219.79413	0.7
221.04536	1.1
231.12338	2.1
283.15622	4.0
309.16965	2.0
323.18564	1.0
335.22131	1.9
337.24036	1.0
349.12030	1.0
353.16037	2.8
356.39731	1.0
357.22763	2.2
375.09872	1.5
395.13727	0.8
421.25900	2.0
439.26886	2.2
465.28946	7.5
483.25400	3.3
483.29333	10.6
495.15314	1.8
509.27240	1.7
527.28693	6.7
528.29242	0.8
571.27423	28.7
572.27673	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	571.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	64.5
61.16819	3.4
61.98822	11.9
67.01930	4.5
68.99815	4.9
69.03471	5.9
71.01383	19.4
71.62199	4.7
73.02946	7.7
75.00883	11.5
81.03494	5.0
83.01411	13.5
89.02467	4.0
95.01412	28.8
95.05064	5.2
97.02928	4.8
99.00896	9.3
101.02458	4.5
109.02979	6.3
111.00910	27.7
112.98840	5.3
113.02511	4.2
119.04945	4.0
120.43577	3.6
120.45210	3.5
125.02406	7.7
127.00397	10.9
135.03024	18.0
142.99849	19.1
145.02974	5.7
153.01877	5.9
154.99805	6.3
156.77574	4.0
171.02969	3.7
173.00945	4.5
187.02428	9.0
195.17514	6.6
215.02013	10.4
237.18585	12.5
247.04388	3.7
255.19727	11.2
275.20288	5.6
289.18118	4.9
291.19678	17.1
315.88022	3.7
335.18436	11.3
335.22162	5.3
337.15720	3.8
354.88992	4.4
365.19650	6.7
397.22330	14.2
409.22391	33.8
425.21075	4.8
439.23151	9.1
453.20676	5.4
467.22925	5.5
527.25055	8.3
543.23804	4.3
571.23901	100.0
571.31750	7.1
572.24243	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00310	2.3
53.39865	2.0
59.01385	36.3
61.98834	3.4
63.01582	2.3
68.99810	6.3
69.03458	3.9
70.53175	2.2
71.01370	13.2
72.03874	2.3
72.99308	2.7
73.02946	4.1
75.00876	6.5
78.95917	5.5
81.03476	2.8
83.01401	11.6
89.02430	3.8
95.01391	31.5
97.02957	5.7
98.65763	2.4
99.00898	8.9
106.50458	2.6
107.01357	3.2
107.05009	3.6
109.02964	7.2
111.00888	31.3
113.02441	4.5
123.00912	4.9
124.98731	2.7
125.02436	10.7
127.00361	9.4
135.02969	20.0
142.99863	23.3
145.02930	3.3
150.03137	3.3
153.01981	6.2
154.99806	3.5
166.61899	2.3
171.02995	3.4
173.00928	4.6
187.02454	5.9
187.11719	2.6
195.17558	9.7
215.02008	6.6
237.18591	13.3
239.16573	3.7
253.09203	2.3
255.19655	6.3
261.18427	2.3
275.20154	6.3
279.19702	7.2
291.19647	17.3
307.19229	5.0
317.17505	5.9
335.18774	14.2
335.22086	3.1
365.19711	5.5
397.22348	13.5
398.22684	3.3
409.22360	37.4
437.21613	4.0
439.23117	8.5
453.21405	8.7
467.23016	5.2
499.25519	3.4
504.85373	2.6
511.21793	5.5
525.23035	2.4
527.24542	12.6
571.23938	100.0
571.31500	6.0
572.24377	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	570.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17687	2.0
61.98833	100.0
62.82020	2.0
63.37659	1.9
70.08643	8.9
75.00876	19.1
78.95912	30.2
79.61795	1.6
89.02469	1.8
96.96944	4.3
98.20171	4.5
102.81671	1.8
133.02939	8.4
135.04482	5.7
152.99609	24.5
161.02444	46.8
240.17032	2.4
241.01198	13.0
255.23328	41.2
315.04825	3.2
347.25851	4.4
384.45450	2.1
415.24985	19.2
433.26022	4.1
507.29633	66.5
508.29831	6.8
571.28925	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96003	1.9
66.84334	2.3
69.29887	5.4
69.30305	18.7
75.00868	4.4
77.25862	1.9
84.04044	2.1
87.40678	2.2
93.03467	26.5
96.96024	20.7
98.20650	4.1
119.05032	12.2
129.43683	2.5
131.05014	9.4
133.06575	6.6
135.04568	3.2
145.02988	5.9
147.04541	16.7
149.06078	5.6
158.03651	2.8
159.04504	6.6
161.02373	3.4
175.04012	4.3
177.05579	100.0
178.05966	5.2
179.48268	2.4
217.04732	2.4
265.03494	7.5
400.79193	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04655	0.2
54.63602	0.2
59.01386	2.7
61.98835	2.5
71.01383	0.8
72.00916	3.3
72.99297	0.5
73.02961	0.6
74.02479	0.9
75.00878	28.1
82.02984	0.3
89.02454	0.6
93.03466	4.6
96.96022	1.0
97.01689	0.5
98.02483	0.8
98.19863	0.7
100.00420	7.2
101.02470	0.7
109.01703	0.5
109.02966	0.8
109.16325	0.2
110.02481	0.7
113.02454	0.6
116.05070	8.5
116.92842	0.3
117.03476	14.3
118.03783	0.5
119.05032	35.7
120.05370	0.9
121.02941	0.6
122.02487	0.7
128.05128	0.3
129.33569	0.2
130.04256	0.3
130.06636	2.7
131.05016	0.5
133.02966	0.4
133.06628	0.6
135.04564	0.4
142.06631	17.9
143.05029	0.5
143.06966	0.6
144.04572	0.7
145.02960	100.0
145.78114	0.3
146.03287	2.8
146.06136	1.6
147.04556	1.6
147.63326	0.3
152.07262	0.2
157.05406	0.3
157.06499	0.4
157.07715	4.2
158.06136	0.7
159.04530	1.8
159.09268	2.7
161.02460	1.0
161.04651	0.6
161.06050	0.4
162.05640	0.7
163.04037	3.9
167.88165	0.2
170.06169	0.3
171.04510	0.7
172.07652	0.3
173.06087	0.6
174.05595	0.7
176.07120	1.7
177.05516	0.2
181.07693	1.4
183.05684	0.6
184.07689	0.3
185.05928	0.3
185.07320	0.7
186.05617	8.5
187.06036	0.5
199.08780	0.7
200.07140	0.3
200.08949	0.2
201.05621	0.3
202.05077	0.7
203.03596	0.3
203.08292	3.9
204.08551	0.4
211.07675	1.1
214.05170	0.9
216.06651	2.6
220.06203	0.3
221.04546	20.2
222.04884	0.9
222.06984	0.7
223.07643	11.5
224.08273	0.8
225.06961	0.3
225.09242	0.3
227.03333	0.3
228.06705	1.4
229.06183	26.6
229.53085	0.3
230.06564	0.8
235.07619	0.4
237.09206	1.1
239.07245	0.4
239.10783	1.5
247.07651	0.6
250.08820	0.6
251.10913	0.3
253.04645	0.2
255.03023	0.7
255.06802	0.3
265.08670	1.1
275.11642	0.3
276.10263	0.4
277.08646	0.4
278.08713	1.0
279.10373	1.3
280.09857	0.9
283.07269	0.3
284.03210	0.4
285.04092	1.0
287.12231	0.3
295.09766	0.5
305.12915	1.6
308.09232	2.4
309.07709	0.6
321.10107	0.7
322.10849	17.7
323.11172	1.3
331.11157	0.3
334.10831	0.9
345.12503	0.7
349.11942	23.3
350.12222	1.7
357.12350	1.6
389.11636	0.7
391.13080	0.8
407.17676	0.3
447.09186	0.3
451.16589	3.5
452.16989	0.4
469.17624	1.7
483.07498	0.5
495.15649	25.5
496.15994	2.9
511.25381	1.1
513.16705	3.2
571.26813	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91492	0.7
61.98835	100.0
62.28561	0.7
65.74649	0.8
68.90099	0.8
71.18945	1.0
71.19298	1.7
91.42175	0.8
95.35501	0.9
107.24867	0.8
127.68189	0.8
133.02979	7.5
134.03738	1.1
135.04517	5.6
137.02464	1.8
161.02457	40.1
170.78561	0.8
255.23474	1.0
271.22824	3.3
327.19324	0.8
347.25974	3.5
415.24799	17.6
416.25513	1.0
433.26169	4.1
507.29660	54.5
508.29752	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03043	0.5
54.94500	0.6
55.01899	0.6
57.03444	1.1
59.01377	7.3
61.74002	0.6
61.98838	1.7
71.01390	1.1
72.88477	0.6
73.02959	1.4
75.00880	1.6
80.96543	0.6
83.05067	0.6
87.00887	1.6
87.04522	2.8
95.05038	1.2
97.06600	3.9
98.20661	1.1
98.60461	0.5
101.02443	0.8
113.06081	0.7
123.08163	12.1
125.02469	0.9
125.09727	29.1
126.10050	0.7
137.09795	0.6
139.07623	1.1
139.11334	0.6
141.09219	8.5
143.10762	3.1
146.66023	0.5
169.08698	4.7
169.12393	1.1
185.08215	8.4
185.11818	1.9
187.09760	100.0
188.10114	3.9
203.09245	2.4
293.17578	1.4
295.19165	4.0
311.18628	6.7
337.16599	1.4
339.17841	1.3
355.21255	1.9
407.53354	0.6
481.28561	19.4
482.28159	2.2
525.27118	2.8
569.26489	0.8
569.30103	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88015	0.4
57.03448	1.0
59.01375	5.1
61.98829	1.7
69.03456	0.5
69.70162	1.2
69.70573	1.8
71.01401	0.9
73.00403	0.5
83.05032	0.6
85.02973	0.6
87.00882	13.5
87.04515	1.4
95.05048	1.3
97.06606	2.7
98.20615	0.6
99.04470	0.7
111.04647	0.4
113.02456	1.0
119.04966	0.4
120.63152	0.4
121.06609	0.7
123.08173	11.9
125.06086	0.5
125.09731	27.2
126.10068	1.4
135.04521	0.6
136.01860	0.5
139.07664	1.5
143.10823	3.4
159.60327	0.5
169.08691	5.0
183.88750	0.4
185.11891	2.8
187.09766	100.0
188.10075	3.2
195.44344	0.5
203.09221	0.6
245.47972	0.5
261.95258	0.6
293.17621	0.9
311.15146	1.2
311.18481	5.5
335.33340	0.5
337.16669	2.1
355.21274	4.2
381.15497	1.1
481.28040	12.7
482.28979	0.7
484.84436	0.5
525.27252	1.8
569.26019	14.7
570.26593	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	6.0
69.36668	24.0
69.37090	5.6
72.99304	3.5
75.00862	3.6
83.01392	21.4
93.03468	15.0
99.00901	7.5
102.10747	3.0
108.09000	2.7
115.00377	12.5
117.03426	4.7
119.05023	11.4
121.02985	2.7
129.26917	2.8
131.04941	3.7
133.06607	100.0
145.02968	16.9
145.06567	5.5
147.04512	11.6
149.06094	9.5
159.04515	8.7
161.02492	4.0
161.06062	5.0
162.28180	3.2
173.06017	5.9
177.05603	38.2
187.03935	7.1
187.07684	5.2
189.05562	3.8
193.05000	4.7
207.06610	4.0
215.07100	15.7
217.05087	15.6
221.04558	64.3
230.83777	4.0
231.06570	10.4
259.06104	6.9
261.04126	26.8
275.05640	12.3
277.07150	3.8
303.05139	34.7
321.06137	9.7
376.41202	3.2
407.09543	5.4
421.10931	3.9
425.10861	47.7
426.10965	4.6
507.11383	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	569.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38866	0.9
57.03451	8.9
59.01382	3.6
71.01395	1.8
71.62059	1.7
75.00882	26.4
83.01392	2.3
93.03468	1.2
96.95993	1.8
101.02441	1.0
106.06635	12.3
107.06980	3.7
108.02161	1.0
109.02959	10.1
117.03480	1.1
119.04970	1.2
119.90141	0.8
121.02988	1.3
123.04510	1.5
125.02456	100.0
126.02803	2.3
133.02974	8.1
135.04552	8.5
137.02419	2.6
140.35495	1.0
145.02997	7.6
147.04503	2.4
149.02431	2.5
150.03215	2.8
150.05646	9.0
151.03917	1.7
151.05962	3.3
159.04460	2.7
161.02457	80.1
162.02853	3.9
162.27745	0.9
163.00375	1.2
164.01163	2.2
165.01913	2.1
173.06093	1.7
173.93199	1.0
175.03940	2.6
177.01979	5.7
179.03462	2.7
183.04517	2.0
185.02463	1.4
185.06139	1.6
187.04074	2.0
189.01933	1.5
197.06110	1.3
199.03966	1.7
202.99867	3.1
209.06274	1.1
211.04147	1.5
214.02675	1.2
217.04811	1.0
220.01326	1.0
225.05582	3.9
227.03546	2.1
229.05028	3.7
237.04056	33.3
238.04353	2.6
241.05096	2.9
245.04500	1.4
253.05101	5.5
255.02965	1.3
265.05087	1.2
269.04675	6.6
271.05969	4.6
279.03098	3.4
283.06110	6.2
287.05682	8.7
295.06113	2.0
297.04062	63.1
298.04404	4.5
299.05621	2.6
309.04007	3.3
323.05524	4.8
325.03592	1.4
327.05051	3.5
339.05096	2.6
348.06485	1.4
363.08823	2.0
370.11435	9.8
371.11853	7.0
373.05634	4.1
405.09818	5.2
407.11496	2.0
423.10974	8.2
449.08759	32.4
450.09189	2.4
519.06293	1.1
525.10583	3.7
533.17450	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	567.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.1
59.01388	7.5
61.98841	2.5
70.23511	0.9
78.95894	1.9
80.96541	1.7
83.01375	3.9
84.59237	1.1
85.75451	0.9
91.04022	1.2
100.67101	1.0
105.49043	0.9
149.16963	1.0
152.99596	2.3
153.12840	2.0
164.98636	1.1
167.14409	19.6
168.14629	1.0
186.18967	1.4
191.14445	4.4
195.13994	1.0
197.15472	2.4
207.17592	4.2
209.15463	19.0
211.13347	3.0
213.18610	1.3
215.16531	48.6
216.16862	1.3
223.17059	1.8
227.16605	7.1
229.14445	2.4
229.18130	3.4
233.15430	7.1
233.96387	1.0
237.14886	2.1
245.04321	1.8
251.16524	26.9
252.16782	1.3
260.78091	0.9
365.30615	1.8
387.32864	1.1
389.30856	1.3
407.31644	15.3
408.31888	1.5
413.30429	1.6
431.31662	10.3
449.32993	8.1
450.33038	1.7
461.86215	1.0
475.30756	3.9
482.26163	3.4
493.31683	21.3
494.32175	1.5
523.36407	2.2
542.92249	1.0
567.35449	100.0
568.35760	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	567.354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.6
71.61304	1.3
83.01391	2.3
96.95937	1.5
101.89723	1.1
107.59151	1.2
167.14442	13.0
169.15990	4.2
169.57811	1.1
189.16533	1.4
191.14453	5.1
195.13904	1.6
207.17598	2.3
209.15501	19.0
210.15784	1.4
211.13419	1.8
215.16530	77.3
216.16805	3.1
219.13803	2.2
223.16850	2.5
227.16425	2.9
229.18071	6.5
230.61302	1.2
233.15466	43.0
234.15755	1.4
237.14925	1.9
251.16553	23.6
277.14297	3.3
295.15604	12.4
348.17499	1.2
351.18054	7.0
369.19177	12.0
464.17673	1.4
567.35413	100.0
568.35834	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35242	0.6
59.01385	65.9
61.98835	100.0
69.43990	4.8
71.01385	7.1
73.02966	2.1
80.25217	0.6
83.01400	1.0
85.02973	1.6
89.02457	3.6
98.19864	1.1
99.00911	0.9
101.02458	6.0
101.06102	1.1
113.02461	2.6
119.03529	1.7
122.22720	0.7
143.03540	0.7
161.04620	1.3
179.05760	0.7
246.07103	0.6
383.03244	0.6
399.23929	10.5
400.24295	1.2
417.24997	9.9
418.25684	1.0
459.26096	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	567.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31213	7.2
54.94218	6.9
60.68076	8.6
71.55476	13.5
73.31204	7.3
88.87658	8.3
93.03469	29.2
95.55097	8.2
109.02943	8.7
110.77995	7.1
119.05018	11.0
131.05066	7.8
133.06628	9.5
137.02477	13.9
147.04546	18.2
177.05591	100.0
285.04724	8.8
289.14572	8.2
301.07632	10.8
403.93661	10.5
510.95963	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74464	0.4
58.64801	0.3
59.01384	100.0
60.01709	0.9
61.98838	3.2
69.03487	0.4
71.01390	1.6
73.02954	0.9
75.00858	0.7
78.95901	0.5
85.02968	0.7
87.00924	0.4
89.02444	0.5
90.83603	0.4
101.02464	0.6
109.06624	0.5
113.02473	0.6
123.79626	0.5
125.02515	0.6
139.07706	0.4
141.09238	1.0
157.08749	0.6
203.09245	2.8
231.08163	1.0
282.94296	0.4
307.69559	0.4
350.72574	0.4
381.19412	1.5
405.19180	0.5
465.28760	0.5
507.25888	0.4
567.29810	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91116	1.1
59.01386	7.1
60.99310	14.2
61.01244	1.3
61.98815	1.5
71.01394	2.3
71.62119	1.9
73.02968	1.8
75.00890	7.1
88.98812	100.0
89.85373	1.1
109.02938	1.9
118.99837	2.2
135.04514	2.6
145.02869	2.4
147.26820	1.2
159.04504	3.7
161.02367	1.4
172.07698	2.9
216.06688	1.7
227.03548	2.6
280.03763	2.4
283.13431	5.8
301.14313	2.1
317.19534	1.7
353.13983	1.9
373.03473	3.2
389.03030	1.8
401.15683	1.7
403.23358	2.2
418.03299	3.1
419.04010	6.5
445.18604	4.9
479.11450	1.7
565.09845	3.5
565.28015	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.168
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	4.4
59.01383	100.0
60.99300	5.3
61.98835	61.0
64.18416	3.3
69.51535	24.8
70.82133	3.5
71.01392	28.6
73.02942	19.7
75.00872	17.5
76.48213	4.1
76.60491	3.6
78.95927	5.1
83.01402	6.4
85.02956	11.7
87.00887	3.8
88.98826	28.0
89.02432	10.9
95.01384	3.4
98.20630	5.3
101.02447	16.0
106.06622	60.3
113.02455	10.4
116.05047	5.1
119.05024	4.7
125.02490	3.8
136.05283	5.7
138.05605	5.7
140.07138	4.7
144.08162	5.1
145.02910	9.4
149.06104	6.2
150.05644	31.4
161.02467	6.6
161.04521	4.1
164.07225	7.4
167.05930	7.2
170.09752	6.3
178.65096	3.7
184.11211	6.1
186.12894	33.4
192.38020	3.4
200.07201	4.5
201.07933	6.3
215.09340	5.6
226.07539	11.8
228.10291	9.8
230.11903	25.4
239.08247	11.0
240.09026	5.9
244.13461	5.6
254.10646	10.4
255.11378	45.8
256.09763	11.3
273.12430	12.6
274.10843	68.1
287.22314	12.8
299.10327	16.6
299.18732	7.0
316.11841	16.4
317.11386	40.6
341.11313	7.9
359.12878	4.0
361.23877	15.3
398.10760	4.5
399.23764	4.5
403.27005	9.5
431.26514	32.8
461.15680	5.2
473.27408	12.7
478.17197	4.3
491.28598	8.2
503.16510	18.1
505.33829	9.4
521.17682	44.3
521.24963	4.3
522.17847	4.7
565.30109	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	565.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98837	58.4
64.50872	4.9
71.01377	27.3
71.61817	5.1
73.02949	15.5
75.00897	20.3
78.95905	5.2
82.44173	4.7
83.01389	4.5
85.02945	12.2
88.98797	12.7
89.02431	7.1
99.00906	4.8
101.02451	14.5
106.06644	67.3
113.02442	10.5
138.05559	9.8
145.02966	6.9
149.06030	3.8
150.05600	25.9
161.04544	8.2
164.07231	4.3
167.05910	6.1
170.09708	5.7
178.25706	4.0
184.11320	7.7
186.12869	36.1
200.07217	5.2
201.07944	8.0
215.09581	4.7
226.07474	10.5
228.10333	9.2
230.11784	33.3
239.08273	8.2
240.08937	5.5
244.13434	7.2
254.10599	15.5
255.11378	57.3
256.09747	9.2
258.00436	4.4
273.12415	12.9
274.10873	68.6
287.22235	12.0
299.10425	20.3
299.18671	8.5
316.11917	21.4
317.11487	44.7
355.12350	4.9
359.12735	5.3
361.23688	11.2
387.75583	4.8
431.26483	30.5
473.27493	11.7
503.16516	19.4
521.17670	43.9
521.25146	7.5
522.18176	6.4
565.32043	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	565.0294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.0
65.03967	0.3
69.03466	0.4
71.01386	1.8
71.16648	0.6
73.02971	0.8
75.00876	0.9
76.82065	0.3
79.63893	0.3
79.94244	0.3
83.01376	1.7
85.02950	1.1
87.00912	0.3
89.02461	0.6
92.45398	0.3
93.03471	0.6
95.01413	0.3
99.92590	10.4
100.92590	0.4
101.02450	1.0
107.05064	1.5
109.02952	2.2
112.24943	0.3
113.02454	0.8
114.93407	0.4
116.92868	100.0
117.92863	4.0
119.05070	0.5
121.02978	0.7
122.03759	0.3
125.02489	1.6
135.04654	0.4
137.02452	13.4
138.03242	5.8
141.09096	0.3
143.03513	0.6
147.04614	0.5
151.04008	3.2
153.07010	0.4
156.05803	0.3
161.02428	0.6
161.04584	0.3
165.05634	0.8
166.02719	4.3
167.08708	0.7
169.06563	2.3
171.08228	0.5
191.03467	0.3
195.08153	4.2
197.06216	0.4
197.61644	0.3
201.11407	1.7
205.07178	0.7
211.07640	1.4
237.05475	0.7
239.07166	11.0
240.07436	0.5
257.08200	52.1
258.08536	2.6
266.17062	0.3
281.08173	0.3
300.02722	0.5
301.03537	0.5
325.20291	0.3
341.10464	0.4
341.23636	0.4
343.15683	0.4
343.21271	1.3
346.14038	0.3
361.16553	2.5
401.11981	0.4
403.23355	4.2
419.13547	1.0
423.59451	0.3
445.24164	0.5
447.09366	1.0
505.20856	4.0
506.21277	0.3
523.22003	1.8
547.01880	1.1
547.18311	0.7
565.19312	12.7
565.28558	0.8
566.19427	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2137
Annotation	Bistratamide J
Peak:m/z	Relative Intensity
55.01872	3.1
55.28969	3.0
57.03445	4.5
59.01392	13.0
60.29135	2.8
61.98835	2.6
63.98028	2.5
67.01895	3.4
71.01384	10.5
75.00880	4.4
76.76756	2.6
81.03461	9.9
83.01405	19.6
83.05039	3.6
95.01389	3.9
95.05014	2.7
97.02940	6.3
98.20678	3.8
99.00871	17.4
109.02962	6.9
111.00893	37.5
112.98830	15.4
113.02430	7.1
123.04491	4.1
125.02467	26.0
127.00369	11.0
133.02975	4.8
133.06590	5.2
135.04524	6.2
141.01886	6.1
142.99878	7.0
153.01962	5.0
154.99860	7.9
159.03081	5.0
159.04445	2.7
161.02415	13.2
173.00897	4.1
176.02176	2.6
187.02512	13.6
195.17538	11.5
215.02008	15.0
219.17543	11.3
235.20673	15.8
237.04037	5.2
237.18687	3.6
259.20697	31.7
261.18607	18.1
276.80576	2.5
277.21747	3.9
279.19724	4.9
301.21756	18.0
303.19656	64.2
304.20032	4.1
305.17520	4.0
321.20685	24.9
345.20627	21.5
346.89240	3.2
347.18600	57.6
363.21860	4.9
373.19849	2.5
385.19940	2.9
389.19702	100.0
390.20264	6.8
415.21091	3.3
437.23883	4.4
439.21576	6.1
457.22430	3.5
483.20148	9.5
501.21219	19.7
502.21356	2.9
545.20184	8.7
563.20691	44.3
563.28271	4.2
564.21606	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	563.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00782	1.4
57.03428	1.8
59.01378	3.0
67.40851	1.5
69.36855	14.4
71.01387	5.9
75.00887	10.8
79.59611	1.6
85.02965	12.8
89.02479	2.1
93.03477	3.4
99.00894	1.6
109.02946	9.5
119.05055	5.1
121.02942	4.9
122.03748	1.9
123.04529	4.3
129.01971	1.9
135.04552	3.7
136.45314	1.9
145.02980	2.7
147.04506	4.4
151.04013	3.3
161.02438	7.7
162.03284	2.3
174.03209	1.8
175.03992	3.7
179.14035	1.8
185.02444	2.6
185.06184	2.0
191.07159	3.3
193.05011	5.8
209.06023	2.3
210.06841	3.8
221.06137	2.8
225.05482	1.9
226.06349	46.5
227.07137	100.0
228.07480	5.1
229.08775	3.2
230.08905	2.0
239.07167	4.9
253.08751	4.4
255.10367	7.0
281.08258	4.2
286.75021	1.7
307.06219	1.6
313.10822	93.3
313.29840	1.6
314.11221	5.6
357.09790	4.4
387.09103	1.8
389.12476	25.4
390.12933	2.3
453.09808	2.0
475.16077	24.2
519.15222	2.2
563.13275	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	563.141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.3
71.01391	4.8
75.00880	4.9
85.02956	12.3
90.41447	1.0
93.03471	3.1
94.67935	1.0
108.02199	2.1
109.02958	9.3
119.05035	5.2
121.02975	3.9
122.03748	1.9
123.04546	3.3
133.02917	1.5
135.04510	2.2
147.04489	3.5
151.04034	1.3
157.03033	1.5
159.13643	1.0
161.02444	2.7
162.03204	1.6
163.04079	1.4
174.03212	1.7
175.04013	2.5
185.06102	2.1
189.05553	1.0
191.07123	3.7
192.38477	1.2
193.05083	5.7
193.06624	1.3
198.06775	1.1
199.07593	2.7
209.06108	1.3
210.06839	2.5
213.50250	1.0
221.06085	1.9
225.05638	1.8
226.06374	47.2
227.07140	100.0
228.07484	5.6
229.08661	3.0
238.06226	1.4
239.07121	6.6
241.08768	1.7
252.76384	1.0
253.08696	3.4
255.10321	5.8
257.08231	1.1
281.08295	2.0
283.09863	1.3
295.09540	1.8
313.10843	74.1
314.11087	5.2
357.09576	5.0
389.12466	31.6
389.17578	1.3
390.12793	1.9
399.28140	1.0
401.71417	1.2
475.16016	20.0
476.16602	1.4
519.15002	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77626	7.4
57.07753	8.1
60.16545	7.0
60.38195	6.6
74.78005	7.6
75.00880	12.5
90.92660	9.8
93.03451	28.1
109.02960	29.7
119.05021	15.4
131.04984	9.5
133.02907	12.5
142.06329	8.1
145.03012	10.8
147.04514	22.0
159.04536	9.2
161.02438	36.4
177.05586	100.0
227.07025	26.0
265.03540	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29900	0.9
55.68817	0.9
57.11394	0.9
59.01376	1.1
60.98622	0.8
61.98833	100.0
65.32595	1.0
78.95882	1.1
80.96519	1.7
96.95997	1.0
110.51157	0.8
110.76410	0.8
111.13843	0.9
121.02952	3.1
146.42490	0.9
148.58688	0.9
161.55484	1.0
165.40576	0.9
179.03474	2.4
183.43915	1.1
188.21870	1.0
263.28152	1.0
365.00800	1.0
438.66885	1.1
470.50412	1.0
496.74451	1.0
513.06390	0.9
563.25299	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.0679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42507	0.4
68.46299	0.4
71.01395	0.6
71.38162	0.8
72.99313	0.5
73.54173	0.4
75.00877	0.8
92.41566	0.4
108.02162	1.2
109.02959	100.0
110.03326	2.8
112.88129	0.4
118.99873	3.3
133.03009	1.3
135.04530	1.2
147.04541	0.5
149.06079	2.6
161.02457	6.4
166.08977	0.4
166.65317	0.4
179.03519	1.1
191.03508	1.4
193.05067	8.4
237.04050	1.9
281.02875	2.6
288.24213	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17631	0.6
59.01376	0.7
61.98853	0.6
71.61774	0.9
72.99320	2.4
75.00877	100.0
78.95908	4.2
152.99600	3.7
155.14801	0.7
321.04120	1.7
561.30328	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	561.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89458	2.8
58.00586	4.9
59.01385	100.0
61.98829	10.4
71.01385	27.6
71.61724	3.7
72.99308	7.3
73.02954	35.6
75.00877	4.6
83.01398	8.9
85.02945	15.2
87.00887	13.1
89.02455	19.7
101.02449	36.3
103.04028	10.6
113.02429	9.8
115.92117	4.6
116.92847	7.9
119.03529	7.3
128.58339	3.2
131.03481	12.7
143.03516	9.2
145.02995	3.7
145.05112	7.1
145.09848	11.3
161.02454	4.9
163.06123	50.1
167.10751	18.1
191.10777	5.0
205.07211	19.9
247.08302	20.9
270.01706	3.5
321.03973	6.4
389.66986	4.1
399.23950	5.3
450.94547	3.5
519.31677	5.3
561.15863	4.4
561.31708	13.7
561.37677	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	561.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	40.0
61.98831	4.1
66.36842	1.3
71.01388	10.8
72.99319	2.0
73.02950	5.9
74.02475	11.1
75.00880	5.8
78.95924	2.2
83.01384	1.6
85.02959	6.0
86.24561	1.5
87.00882	1.9
89.02438	3.8
96.96043	3.9
101.02455	5.8
104.03581	2.8
108.02126	1.7
109.02958	8.6
113.02441	4.0
116.92875	3.5
117.03481	1.6
119.03485	1.5
119.04989	1.4
121.02946	1.4
125.02459	1.6
133.02966	6.6
134.03728	3.5
135.04536	100.0
136.04869	3.0
137.02527	2.0
145.02939	2.7
148.09753	1.7
159.04507	16.2
160.45230	1.5
161.02455	24.9
161.04518	2.1
161.06052	1.6
171.10422	1.5
185.06079	1.8
196.07411	1.4
213.05396	2.0
214.06187	1.4
239.11859	3.2
249.03233	3.4
259.01974	1.8
259.16956	2.3
263.16458	8.7
263.20108	1.9
277.18201	1.5
279.19608	2.5
281.17535	10.2
296.25946	2.5
307.19116	2.3
319.46109	1.6
321.04126	3.5
325.20322	4.1
339.05151	2.5
343.88843	1.5
353.06879	1.6
355.21240	14.2
357.05844	1.9
380.19656	1.7
381.07303	1.3
381.20609	14.3
381.24734	1.7
382.20679	1.8
397.05573	1.9
397.23703	2.5
399.22433	4.8
422.20746	1.9
425.19629	7.6
441.23083	1.9
443.20825	5.4
469.22253	3.5
487.23276	12.5
501.31152	1.6
517.24365	53.1
517.31610	3.3
518.24585	5.3
532.31329	2.5
561.26727	18.0
562.32483	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	559.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28684	1.2
55.01873	3.1
57.03442	3.4
58.00589	4.3
58.77951	1.2
59.01381	92.1
60.01719	1.2
61.98821	2.3
62.26445	1.6
69.37085	4.9
69.37511	6.0
71.01386	58.1
72.01711	1.8
72.99318	6.2
73.02964	10.1
75.00863	2.9
78.95919	11.8
82.09600	1.3
83.01398	8.3
85.02950	20.0
87.00890	11.7
89.01909	2.6
89.02448	48.6
91.03996	3.6
91.54108	1.1
95.01389	4.8
97.02941	2.7
98.20691	2.2
99.00883	4.4
101.02449	70.8
108.89874	1.2
113.02457	30.9
116.92860	4.2
119.03508	12.5
119.05013	3.7
125.02467	2.2
130.20111	1.1
131.03506	2.3
143.03490	4.4
145.02989	1.5
151.05476	1.3
158.28609	1.2
161.04561	39.2
171.00613	2.6
179.05640	9.0
253.09290	88.0
254.09583	2.5
331.03503	1.3
355.19162	1.9
389.35367	1.2
474.81149	1.3
499.32935	2.4
515.26349	3.8
559.34882	100.0
560.36218	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	561.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	7.5
61.19363	2.1
71.01389	4.4
71.61226	2.8
71.61567	2.6
72.99317	7.0
75.00871	28.9
82.35499	2.1
88.93870	2.2
93.03467	23.8
96.96004	3.0
100.03306	2.1
105.64491	2.5
108.02237	2.5
109.02956	30.3
117.03428	2.3
118.99863	14.2
119.05024	11.1
121.02949	8.6
123.04524	4.7
131.05046	9.5
133.01457	4.5
133.02922	2.8
133.06557	8.0
135.04489	9.5
145.02979	13.7
147.04547	21.3
149.02489	2.8
149.06065	7.7
151.03998	3.4
154.72029	2.1
159.04550	12.4
161.02431	22.9
163.04025	3.6
170.59558	2.4
173.02432	9.5
175.03987	11.0
177.01901	3.8
177.04044	5.3
177.05576	100.0
178.05881	6.3
185.02470	15.0
187.03970	2.9
191.03448	8.4
201.01971	3.5
213.05544	3.2
219.02844	3.3
221.06204	5.2
226.06345	7.5
227.07146	5.2
231.02769	2.7
237.05530	2.9
239.06966	3.2
243.02876	3.6
249.05539	7.0
255.10194	4.5
265.05313	2.5
267.06552	8.0
277.05081	7.9
279.02960	15.9
280.03806	4.2
293.04520	10.3
295.06165	22.9
296.16998	2.3
309.07715	4.8
321.04068	65.0
322.04193	3.5
325.07013	3.4
335.05710	4.8
339.05087	27.8
353.06763	16.9
356.77795	2.3
369.01971	2.8
371.07697	5.7
397.05594	44.5
431.13327	7.8
438.33237	2.6
510.97406	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80500	0.6
56.12781	0.7
59.01387	20.1
61.98850	0.7
69.36526	2.5
69.36951	3.5
71.01383	5.8
73.02942	1.1
75.00850	0.9
75.71857	0.6
77.07870	0.6
78.91894	1.3
85.02969	1.1
89.02441	5.9
101.02451	4.3
103.04021	0.6
113.02477	3.2
119.03519	0.9
135.04491	0.6
151.78981	0.7
154.11455	0.6
159.04529	1.6
161.04520	2.3
166.70552	0.7
235.08228	1.2
253.09294	25.1
262.26120	0.7
263.20169	100.0
264.20486	5.0
383.49643	0.7
395.22534	0.7
532.24353	0.8
559.25684	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	559.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	16.1
60.08755	0.4
61.19733	0.4
61.98836	0.7
69.43295	4.2
71.01392	2.9
73.02949	1.2
73.20190	0.5
83.01393	0.6
85.02961	0.6
89.02462	2.8
101.02437	3.8
113.02448	1.1
117.95628	0.5
119.03452	0.8
143.03494	0.6
161.04559	1.4
179.05719	0.8
181.15968	0.5
186.56461	0.5
235.08228	1.6
253.09282	15.9
263.20163	100.0
264.20499	7.3
496.25037	0.5
506.97885	0.5
527.71332	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.0
57.03436	3.8
58.00604	1.7
59.01383	70.7
59.72631	1.1
60.01693	2.3
61.98835	26.1
66.67287	1.0
69.03470	1.3
69.50202	8.3
71.01389	20.6
71.04993	1.1
72.02171	5.6
72.99310	2.7
73.02950	18.4
75.00869	5.6
81.03455	2.4
83.01406	6.8
85.02955	5.0
85.06580	1.9
87.00869	3.0
87.04501	1.6
89.02447	6.9
95.05026	1.2
96.95989	3.1
97.06598	3.0
98.19798	1.1
99.00842	1.4
99.08145	1.1
99.37971	1.1
101.02440	20.3
113.02467	8.1
113.06089	3.8
115.92081	1.2
116.92845	2.6
117.03483	5.9
119.03469	2.1
119.05026	7.2
123.08169	9.8
125.02470	5.7
125.09739	1.8
131.03552	1.6
137.09691	1.9
139.03909	1.1
141.09229	17.0
143.03534	2.4
145.01874	1.4
145.02968	21.2
149.04539	3.2
155.10797	1.8
161.04553	7.6
163.04001	6.5
167.07144	1.5
171.10246	3.0
173.88542	1.1
201.11331	3.4
221.06703	1.7
231.13916	3.0
253.09363	1.3
270.01749	2.4
306.75021	1.0
311.22284	2.8
321.94156	1.2
323.18607	1.7
329.23331	25.3
330.23523	1.6
335.22070	1.3
355.21219	3.2
379.21295	1.8
412.08051	1.2
435.31604	1.4
439.12399	4.0
448.97409	1.3
453.32288	5.2
455.30121	3.6
471.33304	100.0
472.33716	10.4
485.30502	1.7
497.31186	16.1
498.31442	1.9
515.32410	23.1
516.33020	3.1
559.14777	3.1
559.31744	10.3
560.31110	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	4.8
70.95477	1.0
71.01373	5.0
75.79527	1.2
89.02474	3.1
101.02445	4.4
109.02946	1.7
113.02442	1.7
117.03371	1.4
119.03531	1.7
130.04243	3.2
131.05002	5.4
135.04524	18.1
158.03706	3.5
159.04517	73.3
160.04860	3.7
161.02567	2.6
161.04492	1.6
172.05246	1.3
195.17509	4.9
201.05368	1.3
203.03496	6.8
206.02463	1.2
225.57225	1.2
235.08264	1.5
237.18590	7.1
247.57234	1.5
253.09258	22.6
277.21719	100.0
278.22061	7.8
379.22464	2.3
381.20743	2.7
395.22116	1.6
399.21634	2.5
423.21716	10.6
423.53598	1.3
441.22769	5.2
473.25528	2.4
515.26245	3.0
559.25519	82.2
560.25830	10.7
570.90820	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54355	1.6
57.03445	3.8
59.01384	100.0
61.98831	5.9
71.01390	32.0
71.62150	2.7
72.99298	2.1
73.02952	36.3
75.00895	15.0
83.01388	10.1
85.02958	5.2
87.00879	4.6
89.02462	8.8
96.95999	2.5
97.06629	2.0
99.04543	2.1
99.92506	2.5
101.02451	34.8
109.02969	2.2
113.02448	12.4
115.92087	3.2
116.92859	19.2
119.03506	4.0
119.05012	4.6
125.02460	3.3
131.03496	2.8
136.07724	2.7
139.07678	2.3
142.84029	1.6
143.03491	2.7
145.03018	3.5
147.93770	1.8
148.04068	1.7
149.04634	2.7
151.03975	2.1
152.99577	1.7
155.03494	2.2
161.02504	3.7
161.04581	7.1
163.03983	2.0
177.77232	1.5
191.14458	3.9
201.11407	3.2
229.68356	1.6
235.17064	3.2
253.09259	2.4
287.16354	2.4
311.19000	2.5
323.12848	2.5
329.23495	2.4
376.50214	1.7
379.16748	3.4
412.08057	2.5
423.94919	2.0
457.14761	4.3
471.33325	3.6
497.31845	2.9
559.15485	8.5
559.35077	14.5
560.34796	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	3.2
61.98835	0.8
69.28191	1.3
69.28606	5.3
71.01390	1.4
85.67427	0.7
89.02473	1.5
91.04026	0.7
101.02470	2.2
109.02978	2.2
113.02440	0.9
115.05531	1.1
130.04256	3.4
131.05029	5.2
133.02965	1.1
134.03851	0.7
135.04535	22.4
141.03494	1.8
146.03723	1.1
158.03780	2.9
159.04536	92.5
160.04919	3.0
161.02509	2.0
167.01682	0.7
185.06239	0.8
195.17575	8.1
200.04796	0.8
201.05566	2.5
203.03522	9.9
212.59888	0.8
213.05620	1.8
219.17537	1.4
228.04317	0.8
230.62460	0.8
237.18584	9.5
238.18889	0.8
239.16605	1.1
242.05901	1.0
245.04639	1.2
253.09290	8.2
253.55052	0.7
259.01596	0.7
261.18524	1.1
277.21725	30.2
278.22070	1.5
379.22672	2.1
381.20691	4.1
391.83298	0.8
395.22287	1.8
399.21747	2.9
423.21802	10.1
424.22180	1.0
441.22800	7.6
442.22885	0.7
467.21054	0.8
473.25555	2.7
485.21832	1.4
515.26654	5.7
559.25507	100.0
560.25800	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	559.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	1.0
60.07572	0.5
61.98845	0.7
65.00318	0.7
71.32876	0.9
71.33205	0.8
94.98057	0.6
109.02963	2.6
111.41442	0.7
115.05528	1.0
130.04247	3.6
131.05037	6.6
133.02933	1.2
135.04530	21.8
141.03494	1.5
146.03706	1.4
158.03755	3.9
159.04523	93.8
160.04889	1.8
161.02435	2.1
172.05287	0.8
173.06110	0.9
174.06607	0.7
185.06133	0.9
195.17557	10.3
199.03935	0.6
200.04839	0.7
201.05556	2.5
203.03502	8.9
213.05522	1.3
214.06364	0.8
219.17581	1.2
237.18613	9.5
239.16470	1.1
242.05867	1.1
245.04620	1.2
261.18579	0.7
277.21649	1.1
337.21674	0.7
339.19479	0.9
379.22748	1.8
381.20706	4.1
395.22238	1.5
399.21823	2.3
415.36426	0.6
423.21796	11.1
424.21979	1.4
441.22913	7.2
442.22968	0.6
461.67621	0.7
467.20535	1.3
473.25290	3.0
485.21622	1.7
515.26514	5.6
516.26929	0.7
559.25494	100.0
560.25800	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	559.149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33159	0.4
55.76240	0.4
55.91954	0.5
57.03429	0.4
59.01381	8.7
67.88597	0.5
71.01378	2.1
71.36102	0.5
72.99295	0.7
73.02962	1.3
73.42941	0.6
75.00874	1.0
78.95905	0.5
85.02958	0.7
85.71478	0.4
87.00883	1.1
89.02443	0.8
90.21255	0.5
96.96014	6.1
96.96976	1.1
97.06628	0.6
98.95609	2.7
98.96417	0.6
99.00863	1.2
99.92592	14.6
99.93249	0.9
100.92673	0.6
100.93381	1.8
101.02445	1.1
103.00341	0.7
111.00874	0.5
115.92094	28.5
116.92870	100.0
117.92876	4.8
123.08139	0.5
140.92892	0.6
142.94463	0.6
145.02925	0.6
151.00381	0.9
158.93970	0.5
166.85960	0.5
184.91833	2.3
295.10321	0.9
353.88675	0.5
437.12836	1.7
439.14301	0.6
455.13855	2.5
457.14886	0.6
459.29211	1.0
473.14703	3.2
479.13754	1.6
497.14874	2.1
515.15912	5.2
516.16217	0.9
523.13043	0.8
559.14972	20.0
559.35040	5.3
560.15167	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	559.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85934	1.4
59.01382	48.8
61.98822	2.0
63.99847	1.6
67.02752	1.5
69.03475	1.9
71.01389	20.1
71.61497	2.2
72.99317	1.6
73.02946	16.2
75.00903	9.6
78.95905	1.4
83.01400	4.4
83.05052	2.2
85.02962	4.5
85.06599	2.1
87.00883	3.1
89.02452	6.1
95.57433	1.7
96.96021	4.6
97.06572	2.4
97.69893	1.5
98.95594	3.0
99.00826	2.1
99.92583	12.5
101.02460	13.7
107.05002	1.8
111.04516	3.5
111.08121	3.6
113.02460	6.5
115.92084	25.4
116.92862	100.0
117.92876	6.4
118.99903	2.7
119.03498	2.6
119.04994	2.9
123.08161	2.6
125.02483	8.4
127.04050	1.6
135.04590	1.6
137.09740	3.3
141.09253	3.6
145.02950	4.6
151.00394	1.9
151.07651	2.2
161.02423	2.3
161.04523	1.8
177.05627	2.2
184.91911	2.0
199.11142	1.7
217.12393	8.4
225.07545	1.6
231.13765	2.9
261.11362	5.7
285.04065	2.3
293.13943	14.0
397.18668	6.0
455.19250	3.9
473.20273	7.4
474.20190	1.9
497.20514	2.3
515.21448	69.7
516.21875	7.4
559.14825	22.7
559.35461	2.1
560.15167	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44941	3.3
54.10942	3.1
57.26992	3.2
59.25354	3.2
70.93607	3.0
71.01355	3.3
72.37168	3.0
75.00883	4.3
107.21388	3.1
109.02949	30.4
111.00875	6.8
111.24897	3.0
111.87366	3.0
116.55471	4.5
119.27142	3.9
135.04523	51.7
147.04543	4.8
148.05299	3.3
149.06085	38.2
152.29118	3.0
159.04514	3.4
161.02380	4.6
161.06093	19.5
163.04004	4.0
165.05554	9.2
171.04553	7.3
175.04085	4.4
177.05563	82.1
179.03532	5.6
189.05580	82.1
190.05981	5.8
191.03381	3.3
203.03430	4.6
207.06677	30.3
219.06662	5.0
221.04509	38.5
231.06662	7.8
235.06152	7.3
249.07657	7.9
267.08566	7.0
311.07733	100.0
312.08041	5.1
313.09006	3.5
393.11737	4.6
400.61801	3.8
411.12723	5.2
425.10736	5.1
455.12021	12.4
485.13217	6.2
515.14233	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	559.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
70.20929	16.3
75.00870	3.8
97.02917	5.1
109.02961	48.3
123.63342	4.6
135.04532	100.0
149.06084	54.5
149.63397	4.5
161.06168	22.6
171.04529	7.4
173.06012	5.3
174.03204	10.0
177.05551	7.4
179.03470	6.5
189.05585	69.4
190.05928	5.2
191.07002	4.8
207.06612	54.0
219.06433	4.9
221.04575	9.3
231.06598	13.9
235.06096	13.6
239.05635	6.0
248.86092	4.5
249.07518	5.8
265.74518	4.3
329.85364	4.5
346.32330	4.6
381.41312	4.8
411.12979	7.7
455.11914	18.7
485.12686	5.3
515.14197	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.9
57.03451	1.5
58.00601	2.1
58.53194	0.5
59.01385	100.0
59.78864	0.6
60.01711	1.1
61.98827	1.0
69.03466	1.1
69.53953	0.5
71.01389	34.4
72.99307	2.9
73.02953	11.8
75.00885	1.8
81.30720	0.7
83.01392	6.7
85.02962	11.7
87.00871	4.8
87.04498	1.2
89.02454	27.4
91.04026	1.4
92.78800	0.5
95.01391	3.1
95.05051	0.6
96.96050	0.6
97.02965	1.7
99.00890	2.6
101.02453	36.6
102.02714	0.6
111.00862	1.2
111.38941	0.6
111.58438	0.5
113.02462	18.9
119.02734	0.9
119.03513	8.7
120.28801	0.6
125.02439	1.7
125.09732	0.8
131.03511	1.9
141.09195	0.6
143.03519	3.1
149.04547	2.0
161.04568	15.0
179.05617	5.4
215.01956	0.8
235.08142	0.8
241.18031	1.3
253.09302	67.2
254.09456	1.7
335.02005	1.0
363.16483	0.7
415.23022	1.7
455.26334	1.3
457.24121	1.2
469.31262	2.5
476.54803	0.7
490.23367	0.8
497.27530	1.4
515.28741	1.0
557.29376	36.0
558.29645	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	5.6
71.01390	7.9
75.00877	8.5
83.01401	5.3
87.00872	12.6
93.03469	21.6
96.96039	7.7
98.19815	7.8
109.02956	23.7
110.05368	4.3
111.00915	5.2
115.00398	19.2
118.99846	5.8
119.05016	15.1
121.02975	4.1
128.24928	5.2
131.05028	14.7
133.06590	9.5
135.04549	26.7
139.00385	8.1
147.04535	14.6
149.06081	70.6
157.01405	13.0
159.04527	16.9
161.02449	19.1
161.06065	7.4
165.01952	13.0
165.05490	5.8
171.04451	4.4
174.01706	20.8
174.03172	8.7
175.02431	20.7
175.04010	23.5
177.05588	100.0
178.05875	4.4
187.04005	12.7
187.07520	4.2
188.04759	5.6
189.05603	25.2
191.03664	5.1
193.05055	10.6
201.05576	8.2
203.03586	4.7
205.05133	6.3
207.02930	5.1
207.06625	8.2
210.30304	5.2
213.05548	11.3
215.03510	20.0
221.04477	6.8
229.58507	5.7
231.06596	13.0
233.04576	7.2
237.04057	31.3
238.04440	4.1
265.03516	5.2
273.90643	5.6
275.05630	15.0
337.05908	7.1
417.11777	5.4
419.09900	9.7
441.10306	15.7
500.97760	5.0
541.11774	6.8
545.68213	5.6
559.13373	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	557.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72119	0.6
55.01873	4.3
57.03441	2.9
58.00586	3.0
59.01383	89.7
61.98824	2.1
63.35514	0.8
68.06926	0.7
69.29159	5.2
69.29580	3.0
71.01387	56.1
72.99306	5.8
73.02958	10.2
75.00857	2.1
83.01381	7.4
85.02961	18.4
86.00045	0.8
87.00882	10.4
89.02451	48.0
91.03995	1.7
95.01395	6.1
96.12057	0.8
97.02957	3.1
98.20642	1.9
99.00894	2.4
101.02451	61.3
104.53336	0.8
113.02456	31.6
119.03504	12.5
125.02434	2.5
129.01936	1.1
131.03520	1.9
141.67229	0.8
143.03474	5.9
149.04539	1.7
155.73994	0.7
161.04559	35.9
166.82848	0.8
169.87526	0.7
179.05647	8.7
184.89383	0.7
253.09293	100.0
254.09644	2.7
432.69266	0.9
475.19208	1.3
475.25394	9.5
476.26208	1.1
515.44769	0.9
557.33344	49.3
558.33850	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	557.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.0
55.13500	0.8
55.47244	0.7
57.03433	3.4
58.00598	4.3
59.01382	89.3
60.09985	0.8
61.98835	0.8
68.99777	0.7
69.03447	1.2
69.27480	8.0
71.01388	71.9
72.01676	0.9
72.99307	5.4
73.02949	11.6
75.00864	2.5
82.28707	0.7
83.01394	9.1
85.02961	21.2
87.00883	11.3
89.02451	53.5
91.03996	3.3
95.01405	6.0
97.02953	3.7
98.20580	1.5
99.00862	4.1
101.02449	77.7
102.02763	1.3
113.02461	34.8
114.02734	0.9
115.04015	0.9
119.03506	17.2
125.02485	3.9
131.03510	3.4
143.03496	6.3
149.04538	1.9
161.02567	1.0
161.04565	48.3
179.05608	11.1
253.09290	100.0
254.09729	4.2
300.99783	1.0
318.89438	0.8
328.36099	0.8
351.73187	0.8
422.31726	0.8
423.02435	0.9
431.22800	1.0
475.25476	15.9
476.25989	2.3
557.33313	83.0
558.33679	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	557.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.6
57.26444	0.7
58.00579	0.9
59.01384	100.0
60.01710	1.5
61.98843	2.4
66.37598	0.8
68.47591	0.8
71.01389	27.5
71.54917	0.8
71.61681	1.0
72.99316	3.5
73.02953	10.5
75.00886	2.7
78.95934	2.7
81.03453	0.8
83.01387	5.3
85.02950	7.0
87.00899	3.3
89.02450	18.5
91.04015	1.2
95.01363	1.0
97.02953	1.5
99.00906	2.0
101.02447	24.4
106.79333	1.0
106.82556	0.9
113.02469	12.8
113.42245	0.8
119.03506	6.5
125.02472	2.1
131.03453	1.4
135.04573	1.2
143.03452	4.3
145.02980	1.0
149.04546	1.6
161.04572	10.6
179.05658	3.1
201.11314	1.0
203.05534	1.1
239.89622	0.9
253.09286	24.3
254.09593	1.2
275.20139	1.3
285.87762	0.9
300.99969	2.1
335.01816	1.5
374.14880	1.3
398.01984	0.8
428.82678	0.9
431.34772	0.8
433.19479	0.9
437.25168	1.1
440.30438	1.0
441.28830	0.9
455.26743	5.1
483.29764	1.3
487.68512	0.9
497.27954	0.9
546.22614	0.9
557.34161	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	557.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46684	0.1
59.01373	0.7
61.98833	100.0
62.98526	0.1
65.81544	0.1
69.38525	0.9
78.95900	0.6
98.20308	0.5
111.40051	0.1
119.10384	0.1
152.99644	0.3
250.91545	0.1
255.23285	1.6
256.19681	0.1
256.23782	0.7
257.23953	0.2
258.24289	0.2
279.23459	0.1
300.99951	0.1
338.05408	0.1
455.46561	0.1
477.30234	0.1
480.30975	1.0
483.32248	0.4
557.32770	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23919	2.8
59.01385	100.0
60.01713	3.8
61.98846	4.5
69.27318	33.6
71.01392	41.2
73.02958	48.3
75.00880	19.9
83.01402	12.5
85.02959	3.7
89.02456	11.8
95.01383	3.6
96.95999	3.0
101.02453	35.9
113.02464	13.7
119.03510	3.3
119.05005	4.0
125.93054	3.2
131.03537	3.5
135.04497	7.5
136.02644	3.1
141.30376	3.2
143.03482	4.1
145.02980	6.6
147.04539	5.0
161.02463	9.8
161.04555	9.6
175.04045	3.7
179.03455	9.3
212.08266	2.7
221.32790	2.9
263.03503	5.4
335.01953	10.9
393.13348	4.0
412.04819	3.3
448.00732	3.1
497.27655	6.6
538.69159	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	557.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13101	1.0
59.01384	48.4
69.30608	4.0
69.31042	6.3
71.01382	6.7
71.05035	1.8
72.02172	4.1
73.02943	4.2
85.02955	2.1
85.06583	1.3
89.02454	2.4
94.17190	0.9
97.06594	2.9
101.02435	3.3
113.02431	2.5
113.06082	2.5
123.08164	9.7
125.09724	4.7
133.38918	1.0
137.09843	1.5
141.09227	14.5
153.09283	1.3
155.10852	1.5
161.04558	1.9
165.82431	1.2
167.07150	1.7
171.10309	10.7
253.09300	1.2
327.21741	18.3
328.22235	1.6
335.01767	1.1
359.47598	1.2
379.28485	1.1
451.30768	3.7
453.28510	2.8
469.31750	100.0
470.31903	12.0
477.28683	1.2
495.29602	24.8
496.30109	2.9
513.30713	17.7
514.31061	1.8
557.30170	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.3
57.03453	1.7
58.00597	1.2
59.01382	100.0
60.01706	1.0
61.98835	2.3
67.01962	0.7
69.03468	0.8
69.46777	2.0
69.47210	4.0
71.01385	27.8
71.01761	1.5
72.99310	3.3
73.02950	15.7
75.00883	3.1
75.04251	0.7
83.01381	6.6
85.02952	7.9
87.00883	4.7
89.02450	17.5
95.01406	2.4
97.02959	1.4
99.00908	1.1
99.76408	0.7
101.02446	35.1
113.02453	15.3
119.03503	6.1
125.02453	1.4
131.03523	2.9
143.03532	3.2
149.04601	3.3
161.04573	15.4
167.07144	0.8
179.05659	2.6
179.47998	0.9
187.09854	1.0
221.06683	1.3
223.13341	1.0
253.09286	31.6
263.03412	0.9
274.48276	0.8
335.02002	1.7
335.22229	0.9
475.25833	3.2
479.30414	0.9
557.33673	15.9
558.33832	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57367	1.3
55.01879	3.8
57.03448	2.8
58.00592	1.7
58.95380	1.2
59.01381	100.0
59.37811	1.3
60.01727	2.6
61.98827	2.1
67.01898	2.0
68.99822	4.3
69.03448	4.6
69.71609	4.1
69.72016	3.4
71.01389	31.3
71.05032	2.1
72.02161	2.2
72.99308	3.7
73.02955	9.2
75.00873	5.5
81.03471	3.7
83.01398	12.4
83.05036	2.8
85.02938	9.0
87.00890	7.1
89.02441	19.8
95.01395	17.9
95.05003	3.8
96.99328	2.1
97.02998	6.3
97.06580	3.3
99.00863	6.3
99.04478	1.9
101.02454	28.1
107.05029	2.5
109.02952	5.4
111.00880	21.5
112.98818	4.9
113.02433	13.8
113.06080	2.3
113.80586	1.2
119.03497	7.0
123.00903	1.6
123.08153	5.7
124.98830	1.5
125.02466	9.2
127.00360	6.1
133.01463	1.8
135.03026	8.3
139.03934	1.4
141.01941	1.5
141.09201	5.7
142.99847	12.9
143.03540	2.7
150.03186	2.2
153.01891	3.8
154.99864	3.4
161.02400	1.6
161.04581	13.1
167.07245	1.3
173.00925	3.8
179.05626	3.2
181.15958	4.3
185.11891	8.3
187.02438	6.2
201.11322	1.9
207.17574	1.3
215.01910	8.3
223.17046	6.3
225.14954	2.4
233.55270	1.3
241.18042	5.8
243.15831	1.4
247.16925	3.3
251.82811	1.6
253.09291	55.7
254.09770	1.8
259.17117	1.5
261.18661	2.8
265.18048	6.3
277.18088	10.2
279.15967	2.2
279.19620	1.7
300.99890	2.4
303.16110	2.6
305.17590	1.9
309.17081	2.0
321.17078	7.3
327.21890	7.8
335.02176	2.1
335.18796	1.9
343.24805	2.2
351.18063	2.8
359.28015	2.0
383.20758	8.8
395.20749	19.9
396.21429	1.7
423.20242	3.2
425.21735	5.5
437.25430	1.8
439.19553	2.9
451.30548	2.0
453.21591	2.3
453.28589	1.8
455.26694	2.2
469.31775	63.1
470.31952	7.6
485.24265	2.3
495.29697	11.2
497.20377	2.9
497.27625	2.3
499.29086	2.5
513.23413	5.5
513.30676	10.6
515.28571	2.5
529.22998	1.7
552.61267	1.4
557.22321	60.4
557.30719	15.3
558.22400	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	557.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81042	0.6
57.03436	1.1
59.01383	19.1
61.98837	2.0
71.01385	3.2
71.41506	1.3
73.02953	2.7
75.00873	6.3
78.95909	0.6
85.02948	1.1
89.02470	2.0
96.96014	8.8
98.95583	3.3
98.96463	0.9
99.00892	2.1
99.92585	16.9
101.02468	3.6
109.02970	1.3
109.06589	1.4
111.06195	0.6
113.02458	1.5
115.92086	28.4
115.92907	1.5
116.92867	100.0
117.92896	3.4
118.99905	0.7
119.05024	0.8
123.08159	1.1
125.02399	0.6
125.09681	1.2
135.04544	4.5
135.08141	1.5
136.73535	0.7
138.06874	1.1
139.07657	0.8
142.94466	0.8
144.35165	0.7
145.02959	1.1
151.07666	0.9
153.09215	1.9
161.02452	1.4
179.03503	1.7
184.91826	2.3
187.09688	0.8
196.95549	1.2
201.11388	1.1
203.09279	0.9
217.10809	5.9
263.03543	2.0
279.03030	0.9
295.06165	1.0
298.93002	0.7
307.36264	0.8
322.87677	0.7
335.02075	3.0
359.24280	1.5
453.12155	2.3
471.13324	3.8
495.12924	1.3
495.29660	1.1
513.14404	5.7
513.20996	0.8
513.23309	0.9
513.30530	5.9
521.11102	1.0
522.33307	0.8
557.13306	20.2
557.26703	1.0
557.32898	3.6
558.13605	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	557.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70617	1.2
55.01865	2.0
57.03445	3.2
59.01382	100.0
60.01718	1.8
61.98832	3.0
65.00335	1.2
67.01883	1.6
68.99818	4.1
69.03457	4.4
71.01385	30.9
72.02168	1.3
72.99306	4.8
73.02940	10.8
75.00863	4.3
79.57023	1.2
81.03453	3.1
83.01402	11.7
83.05010	1.5
85.02978	9.1
87.00887	7.5
87.04492	1.6
89.02448	18.3
95.01398	20.4
95.05039	4.4
96.99326	1.4
97.02966	7.0
97.06583	3.8
99.00899	7.9
99.04546	2.0
101.02451	30.2
106.07919	1.5
107.05012	2.0
109.02949	3.8
111.00892	23.7
112.98811	4.4
113.02457	15.0
113.06075	2.4
116.92831	1.5
119.03471	6.1
123.00901	3.2
123.08170	6.1
124.98792	2.1
125.02422	8.3
126.08927	1.4
127.00388	7.3
133.01451	2.6
135.02986	10.7
141.01924	2.6
141.09221	5.9
142.99889	13.5
143.03499	2.1
144.84956	1.3
152.98584	1.4
153.01955	2.5
154.99854	4.1
161.04579	11.3
171.02946	3.6
173.00931	4.2
179.05658	3.3
181.15956	7.0
185.11841	6.2
187.02554	6.6
201.11292	1.5
215.01970	9.0
216.19136	1.4
223.17018	7.0
225.15004	2.3
233.19067	1.5
241.18106	7.3
247.17020	2.8
253.09297	48.8
254.09639	1.8
261.18610	3.1
265.18076	4.5
277.18073	11.6
279.16040	1.8
291.19647	1.4
293.17471	2.0
293.20544	1.5
303.16241	1.9
303.19684	1.6
305.17520	3.0
309.17123	2.4
312.54276	1.3
321.17056	7.0
327.21820	4.5
332.97314	1.5
335.01965	2.2
343.24738	2.1
351.21893	1.4
359.27982	2.2
383.20599	8.4
395.20645	21.6
396.21130	1.6
423.20081	2.3
425.21689	4.3
439.19601	2.4
453.21320	2.4
468.30145	1.3
469.31750	50.9
470.32111	6.0
485.23859	2.5
495.29425	8.4
497.20233	5.7
497.26962	2.8
499.29108	3.6
513.23419	5.8
513.30341	6.5
529.23047	2.0
539.21423	1.5
539.32172	2.3
557.22247	60.2
557.30347	18.4
558.22601	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	556.276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.8
61.98834	100.0
69.43472	14.5
102.85009	1.7
104.07152	1.6
119.66167	1.5
133.02931	5.6
135.04518	4.4
161.02449	37.9
162.02814	1.8
257.21237	2.5
277.21677	5.7
333.24146	2.3
373.02997	2.3
401.23334	17.9
419.24472	5.5
493.28110	48.5
494.28381	3.2
495.69241	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	556.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53883	0.8
61.98836	100.0
83.03671	1.0
114.89355	0.9
161.02399	1.3
163.52919	1.0
168.06230	1.2
349.37317	0.9
493.27939	2.3
522.34912	1.2
532.42902	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.0
60.39605	1.2
61.75247	1.1
61.98833	100.0
71.01385	1.1
71.02897	2.2
75.00867	1.5
95.35004	1.2
101.57423	1.2
119.05058	1.5
119.37782	1.2
210.01054	1.2
255.23270	3.9
256.23642	3.1
257.24054	1.7
308.22174	1.7
313.06238	1.1
348.71140	1.2
441.79694	1.4
548.75684	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.9
57.03440	1.3
57.22160	0.7
59.01381	100.0
60.01723	0.8
61.56612	0.6
61.98830	1.8
69.54877	4.6
71.01408	0.7
71.88784	0.6
73.02967	2.7
74.56046	0.6
82.84217	0.6
83.01386	11.8
89.02483	1.4
91.04014	3.6
94.68512	0.6
101.02462	2.8
119.03527	1.6
119.05032	0.7
124.68241	0.6
157.05121	2.4
171.54854	0.5
175.06131	6.5
193.07182	4.8
234.78221	0.7
277.66562	0.6
279.23300	39.8
280.23602	3.8
437.29053	6.9
455.30151	39.7
456.30331	3.7
482.35074	1.9
497.31345	6.2
498.31839	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2846
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
59.01377	0.5
63.96246	1.4
65.92441	0.3
69.33757	3.5
71.01384	6.3
72.99290	0.5
73.02953	1.7
78.98595	4.5
79.95737	9.0
80.96522	55.9
81.03474	0.8
85.02967	2.3
87.00858	2.5
91.18109	0.4
94.98093	12.4
96.96020	1.4
97.02952	1.1
101.02444	2.1
106.98120	3.0
121.22723	0.4
122.97577	2.3
123.15989	0.4
125.02433	2.3
127.04002	0.8
134.97614	4.7
136.98199	0.3
136.99174	1.3
138.03705	0.3
146.85434	0.4
148.99142	4.7
152.98657	4.8
164.98639	9.4
167.40213	0.3
188.98628	0.7
206.99652	2.2
225.00749	13.0
245.30437	0.4
247.95923	0.4
255.23323	1.9
255.96877	0.4
299.04434	3.3
467.74374	0.4
555.28436	100.0
556.28809	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	555.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.1
57.03445	2.5
58.00587	0.9
59.01096	1.5
59.01381	27.8
61.28577	0.8
61.98812	3.0
65.41166	0.7
69.03467	1.2
69.27501	2.3
69.27920	5.7
71.01389	12.9
72.99297	1.8
73.02956	2.2
78.95896	1.4
83.01378	1.7
83.05058	1.2
85.02956	3.5
87.00885	1.7
89.02441	11.9
95.01368	0.9
98.20672	1.2
99.08167	2.8
100.53023	0.8
101.02445	14.3
107.08647	1.3
113.02460	5.7
113.09727	7.3
116.90592	0.7
119.03485	3.4
121.10235	4.0
125.19113	0.7
133.10255	1.4
147.11810	0.9
149.13351	1.4
161.04581	5.8
167.14534	0.8
175.14906	14.4
176.15157	0.9
179.05675	2.0
197.45796	0.9
203.17993	2.7
219.13879	25.4
220.14198	1.3
234.53386	0.8
235.08257	1.9
249.78448	0.8
253.09294	59.7
254.09641	2.3
257.22775	8.7
258.23050	1.1
275.23776	3.6
301.21744	25.5
302.22018	1.8
319.22787	100.0
320.23123	8.0
372.56329	0.8
540.31952	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01725	0.6
61.98832	0.7
63.93322	0.3
65.63802	0.3
71.01398	1.3
72.99315	0.7
73.02966	0.7
74.27677	0.3
75.00890	2.5
85.02997	0.5
89.02488	0.6
93.03439	0.4
96.96045	0.5
101.02470	0.8
109.02988	0.5
109.06628	0.4
113.02492	0.6
116.92854	0.9
118.99854	0.7
121.03004	0.4
129.09262	0.8
135.04570	0.3
137.09747	1.9
145.02992	0.9
150.06886	1.0
159.04590	0.8
161.02521	0.5
179.05441	0.3
179.10793	0.4
191.14557	0.6
199.10101	0.4
217.10913	1.0
237.26564	0.3
265.05255	1.0
276.04300	0.6
277.05060	0.4
291.19745	1.8
293.04675	1.0
294.05460	0.9
351.21921	0.4
391.11868	1.9
392.12799	0.4
453.25546	0.5
511.17761	0.4
555.14130	0.4
555.28699	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03209	0.4
58.00613	0.5
59.01382	100.0
60.01717	0.5
71.01406	0.8
71.05010	0.4
73.02966	1.3
75.00871	0.5
78.51595	0.3
80.96016	0.4
87.00877	5.5
87.04536	1.0
97.06575	0.4
98.20615	1.3
111.08235	0.5
123.08197	1.8
125.09750	2.6
128.54706	0.5
141.09236	0.4
153.09294	0.5
159.04562	0.5
167.07124	0.5
171.10304	1.2
201.11324	24.0
202.11734	0.6
217.10921	1.1
219.17703	0.4
309.17279	1.1
323.22485	0.5
341.23383	1.0
449.29529	3.4
467.30795	6.1
468.30704	0.7
511.28726	1.9
555.27844	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64819	0.6
59.01385	100.0
60.01709	0.6
61.98846	0.9
69.65743	3.5
71.01407	1.3
73.02949	1.3
74.17801	0.6
75.00885	1.5
85.97498	0.5
86.85213	0.6
87.00896	1.6
94.69898	0.7
95.05067	0.7
97.06631	1.8
101.02482	0.9
109.03064	0.6
113.02494	0.6
115.72823	0.5
118.99869	1.4
122.03771	1.4
123.08205	2.6
135.04562	0.8
145.03067	0.7
157.08749	1.1
159.04543	7.4
160.05222	0.8
161.04742	0.5
167.07249	0.7
173.02596	0.8
174.03210	0.9
201.11372	0.9
246.52246	0.6
276.04269	0.8
282.09079	0.7
293.04657	0.9
294.05469	1.4
301.52109	0.6
341.23257	3.9
349.34210	0.6
370.06857	3.1
391.11987	0.7
449.29068	1.1
467.30356	17.0
468.30804	1.3
494.90961	0.7
511.29459	2.3
555.30359	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77332	0.4
57.03455	0.9
58.00589	1.9
59.01388	4.9
61.30373	0.5
70.08372	0.8
70.08765	1.1
71.01397	0.6
73.02951	1.9
75.00878	1.5
77.21616	0.4
83.12290	0.4
87.00884	24.2
87.04531	4.2
95.04999	0.6
97.06591	1.5
112.01665	0.7
113.06094	1.5
121.10275	0.5
123.08152	1.7
125.02444	1.2
125.06081	1.7
125.09735	11.1
127.11293	1.5
137.09796	0.5
141.09236	0.7
147.99602	0.4
153.09216	0.8
155.10782	1.6
157.12480	0.6
171.10291	8.5
173.65904	0.5
183.10303	1.3
199.09763	1.0
201.11331	100.0
202.11635	3.3
250.85429	0.5
265.18036	0.9
309.17065	3.5
323.22278	2.5
341.23300	0.7
353.16098	2.5
372.91898	0.5
411.77094	0.5
449.29672	11.5
450.29550	1.4
467.26370	4.9
467.30783	2.8
493.28217	0.7
511.29147	3.0
555.28168	20.6
556.28125	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	555.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27581	0.4
59.01385	100.0
60.01714	0.7
65.30756	0.3
71.01397	1.0
72.99327	0.5
73.02968	1.8
75.00883	1.7
83.01450	0.7
87.00889	0.5
92.26739	0.4
95.53437	0.3
97.06595	0.4
101.02470	1.4
103.94098	0.3
109.02942	0.4
109.06599	0.4
113.02450	0.6
118.99906	0.9
121.23363	0.4
123.08167	0.8
139.07735	0.4
145.03001	0.5
153.09222	0.5
159.04495	2.3
161.04594	0.4
165.83853	0.4
171.00832	0.4
179.88719	0.4
187.09985	0.7
201.11496	0.7
217.10783	0.4
265.05011	0.5
266.06018	0.5
278.93280	0.4
282.09094	0.8
290.69003	0.4
293.04678	0.7
294.05438	1.4
311.22363	0.5
326.08133	0.4
370.07138	0.7
391.11963	0.8
437.29535	0.9
449.29248	0.6
467.30365	4.8
468.30524	0.8
483.30048	1.2
511.29382	0.6
520.94452	0.4
537.30432	0.5
555.30695	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	67.2
60.55319	2.0
61.98827	13.6
63.77595	2.2
71.01380	17.1
71.61874	2.4
73.02954	18.4
75.00873	13.9
75.37539	2.2
78.95918	2.6
82.55888	2.5
83.01381	4.3
83.05021	5.0
83.82029	2.4
84.33447	2.4
85.02954	4.4
87.00886	4.6
87.04557	2.6
89.02449	2.8
93.03448	3.7
95.05037	2.7
96.96019	11.3
99.92591	2.9
101.02448	9.1
107.05058	3.2
109.02995	2.9
109.06564	5.6
111.04520	4.9
113.02435	5.6
115.61077	2.6
115.92079	5.2
116.92872	18.2
118.99856	6.4
121.02979	13.4
123.04514	2.7
123.08140	3.2
133.06590	3.5
135.04509	4.4
135.08177	8.7
143.03496	2.2
145.02956	8.1
147.04530	8.6
153.09258	2.8
159.04515	4.7
161.06134	4.6
163.07707	3.4
177.09116	2.2
187.04150	2.3
203.07208	2.9
203.10809	7.3
213.09184	2.6
217.10753	12.3
228.04192	3.0
231.10321	16.2
237.05608	5.0
245.11884	4.1
265.05020	5.7
275.03564	3.8
275.09274	35.1
276.04306	4.5
289.10938	6.1
293.04529	9.2
294.05368	9.2
307.11835	33.0
370.06693	3.1
391.11798	15.1
438.93845	2.4
451.16074	8.6
469.17188	8.8
479.15594	5.3
511.18228	100.0
512.18469	13.5
555.31177	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	555.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03473	0.7
58.61688	0.4
59.01384	48.0
61.98833	2.6
62.31552	0.5
66.12240	0.4
69.03456	0.6
71.01391	3.2
71.61277	0.6
72.99335	1.0
73.02956	2.4
75.00884	4.7
83.01402	1.0
85.02970	1.6
87.00897	0.7
89.02455	1.0
95.01376	0.5
96.96017	1.3
99.04569	0.8
99.92629	1.3
101.02461	2.9
109.02991	1.1
109.06589	0.8
111.04560	0.5
111.08180	1.1
113.02491	1.8
115.04037	0.5
115.92088	2.1
116.92875	7.1
118.99912	1.4
119.03493	0.5
119.05003	0.6
121.03004	0.8
121.86519	0.5
123.04553	0.7
123.08220	0.7
125.02502	0.7
127.11342	0.5
134.03798	0.5
135.04504	0.9
135.08179	2.0
136.05286	0.6
136.98740	0.7
137.06154	0.5
145.03021	2.1
146.03749	0.5
147.04579	0.8
148.05240	0.5
148.20667	0.4
149.04680	0.5
149.06094	3.0
150.06873	52.5
151.07286	1.4
153.09248	1.8
158.03755	0.5
159.04543	1.3
161.02457	0.5
161.04590	1.2
161.09758	0.8
162.06862	1.9
163.07663	33.2
164.08446	12.1
166.06052	0.5
169.12357	3.1
171.10284	15.4
175.04083	0.6
176.08403	0.5
177.09085	2.2
178.09911	2.1
179.10786	35.2
180.11214	1.0
191.03485	0.5
199.03886	0.4
205.24324	0.6
217.10855	2.4
237.05721	1.0
259.02176	0.5
265.05103	1.3
266.06012	0.6
267.06671	0.7
275.03549	0.8
276.04248	1.3
277.05035	0.6
285.04095	0.5
287.49496	0.6
289.21960	0.4
291.19714	0.8
292.20343	0.7
293.04773	2.5
294.05447	2.7
300.17377	0.6
315.19531	0.6
318.18381	1.4
332.19916	3.2
333.20715	6.1
336.19421	5.8
337.20032	0.7
350.20993	60.7
351.21747	61.8
352.22122	4.7
365.13879	0.9
375.21762	1.6
391.11862	5.4
392.12204	1.0
393.19025	0.7
435.11157	0.6
467.13135	0.7
467.29395	0.5
495.25970	3.0
511.29230	0.9
513.26831	3.5
543.92352	0.5
555.28070	100.0
556.28418	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	555.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.3
57.03441	1.4
59.01365	1.9
60.99310	0.6
67.01910	2.1
69.03458	2.1
69.28720	2.9
69.29144	1.5
71.01383	3.0
73.02939	0.9
75.00877	4.2
83.01396	16.5
85.02957	3.7
87.00862	0.8
89.02446	0.7
92.88996	0.4
93.03471	1.9
95.01369	1.2
96.85168	0.4
97.02951	2.2
98.19830	1.0
99.00876	2.6
100.01682	2.6
101.02452	1.3
108.02181	2.4
109.02966	10.5
111.00890	25.8
112.01199	0.5
113.02473	5.2
114.02835	0.5
117.03468	0.8
119.05038	1.2
121.02965	2.9
122.03761	6.9
123.04532	5.9
124.01632	0.9
125.02460	5.5
128.01195	2.5
133.02933	2.9
133.06613	0.4
134.03729	1.5
135.04529	4.2
137.02478	4.2
139.00385	25.3
139.03996	3.8
145.02960	3.8
146.03729	1.7
147.04529	2.7
148.01694	1.1
148.02832	0.5
149.02454	12.7
149.06029	0.6
150.03151	2.0
151.03983	1.4
154.02747	1.6
156.00656	21.9
157.01431	21.8
158.01804	0.5
159.04494	3.2
160.01619	0.7
161.02448	10.2
161.06039	1.6
162.03195	0.8
163.04019	6.1
165.01926	2.0
171.04541	0.8
173.02411	1.8
174.03206	2.2
175.04027	2.7
176.01093	1.4
177.01974	6.9
177.05524	2.3
178.02661	1.7
179.03502	0.9
185.06039	1.1
187.04057	4.2
188.01167	0.6
188.04753	3.1
189.01999	2.7
189.05557	1.4
190.02736	4.5
191.03506	12.5
193.05060	23.6
194.05478	1.3
195.06604	1.3
197.04561	0.5
201.01959	1.4
201.05595	0.7
203.03516	5.1
203.07141	1.8
204.00645	0.7
204.04239	0.9
205.01430	8.2
205.05118	2.4
206.02194	13.4
206.05769	2.8
207.02596	1.1
207.06633	20.2
208.06955	1.2
213.05560	1.7
214.02696	1.0
215.03525	3.0
216.04201	2.3
217.01343	0.9
217.04822	0.5
219.03008	1.9
219.06541	3.9
221.04591	1.0
222.05309	2.6
223.06058	2.5
229.01399	0.9
229.05070	1.0
231.02953	1.6
231.06606	4.7
232.03761	1.2
233.04562	4.8
234.05331	21.3
235.05936	1.4
237.04156	0.6
245.00937	0.7
245.04633	0.6
245.08017	0.6
246.05219	0.6
247.02457	0.9
247.05995	2.2
249.03996	0.9
249.08063	0.5
251.05583	2.7
256.03687	0.5
257.04562	2.8
259.02396	1.3
261.03931	1.0
261.07745	1.0
263.05667	1.1
271.10706	0.5
275.05624	9.4
275.08533	0.9
276.06058	0.5
277.04080	0.6
277.07086	2.9
278.04300	0.5
279.05124	6.4
279.08731	5.4
281.06671	0.9
285.75787	0.5
288.06570	0.4
289.00018	1.3
289.07181	15.8
290.07489	0.9
307.08237	100.0
308.08609	7.3
309.42859	0.4
333.06116	1.0
351.07333	1.9
375.07968	0.5
446.56296	0.5
455.12027	1.0
483.11566	3.4
485.13043	0.5
493.13425	0.7
511.14597	3.0
523.10742	1.3
537.12817	1.3
555.13275	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	555.0785
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45656	3.7
55.86512	3.8
57.03440	7.5
57.47332	3.9
59.01382	27.2
61.98824	11.5
71.01370	7.5
72.99320	8.1
75.00882	67.3
81.03468	4.7
83.01406	7.8
89.02460	4.4
96.96009	15.6
98.19830	9.8
99.92603	5.0
101.02417	4.0
109.02931	10.3
113.44476	4.3
115.92075	7.7
116.92896	25.7
118.99860	14.3
121.02950	11.6
125.02469	48.5
133.03021	6.1
135.04533	7.9
137.02428	23.1
145.02953	22.3
146.06071	4.7
148.05292	4.3
159.04555	8.7
161.02414	7.6
165.01964	28.1
167.03543	23.1
173.06065	7.6
175.04041	5.0
185.02425	20.9
185.06104	7.8
187.07639	7.7
195.04570	6.0
197.06071	29.2
199.03987	12.0
203.03574	6.4
208.05457	5.5
209.06094	5.8
211.03981	10.5
212.04674	5.3
213.02052	4.1
213.05551	19.4
214.02678	16.5
214.06281	6.0
215.07124	50.0
217.05032	20.5
223.04138	6.1
225.05609	42.3
226.02687	10.2
226.06046	5.8
227.03514	29.1
228.04199	9.4
229.01437	49.5
229.04860	6.8
235.04138	9.4
237.05644	6.5
239.03510	7.8
240.04317	11.3
241.05070	100.0
242.02249	12.4
242.05399	8.4
243.02937	6.3
243.06648	74.2
251.03540	17.9
251.98180	4.5
253.05022	13.1
255.03082	11.4
255.06573	5.4
257.04410	4.6
262.06485	5.9
263.03424	14.2
264.04266	15.5
265.04926	13.2
267.03018	8.7
269.04556	67.5
271.06088	10.9
279.06702	9.2
281.04453	10.6
283.05966	5.4
287.05667	25.3
291.02795	5.2
293.04715	5.2
297.04065	20.9
303.06509	9.2
305.04315	5.3
309.04044	9.5
315.05136	15.6
321.07605	6.9
327.04971	5.8
331.05911	5.0
345.06348	14.6
347.05551	4.9
349.07172	10.7
367.08261	6.6
373.05676	73.9
374.06146	8.0
385.05627	10.4
389.06641	46.6
390.06967	6.2
391.07791	10.2
391.12314	8.3
399.04977	8.9
409.09341	22.6
417.06299	30.4
425.41949	4.4
435.07178	71.3
436.07504	8.3
453.08374	66.4
493.07916	14.2
511.08707	51.8
512.09113	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	554.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35460	0.2
59.01381	20.0
61.98843	0.3
68.58233	0.2
70.39110	0.8
78.95908	18.9
84.66039	0.2
86.15282	0.3
96.96926	0.3
134.98470	0.3
152.99596	2.9
168.04311	2.3
170.07042	0.3
194.85658	0.2
215.90300	0.2
224.06932	7.6
225.07257	0.4
242.07979	1.6
255.23300	100.0
256.23639	6.0
394.19186	0.3
480.30957	59.9
481.31329	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	554.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.8
56.40379	0.9
57.03437	2.1
57.67524	1.1
59.01382	100.0
61.98829	2.8
73.02944	3.8
78.89308	1.0
83.01391	13.0
83.04684	1.2
84.01710	1.1
89.02455	1.0
91.04007	2.2
101.02447	2.5
119.03492	2.7
134.11223	0.9
136.54852	1.0
153.53131	1.1
157.05051	2.0
175.06136	5.7
193.07259	4.9
225.51787	1.0
270.97617	1.3
277.21722	34.2
278.22046	2.5
279.23337	19.5
280.23514	1.2
293.49170	1.1
374.13721	1.2
407.15192	1.1
426.91946	1.2
435.27573	6.7
453.28549	44.6
454.28970	4.2
480.33499	2.5
495.29477	5.1
504.31033	5.9
505.31357	1.2
583.76709	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11857	0.4
53.33253	0.4
55.01867	0.5
55.82399	0.4
57.01788	0.4
59.01386	15.6
60.84273	0.4
61.98817	0.6
70.76804	0.8
75.00872	0.4
78.95903	4.9
83.01411	2.1
91.03998	0.9
101.02444	0.8
104.81032	0.4
117.99227	0.4
130.97528	0.4
138.27411	0.4
152.99574	0.6
157.04935	0.5
168.04298	1.3
175.06123	0.9
193.07224	1.0
207.83047	0.4
224.06874	0.8
242.08058	2.2
261.22308	0.5
277.21762	6.2
279.23294	100.0
280.23685	6.3
435.27521	1.1
450.72821	0.4
453.28589	7.0
482.76382	0.4
495.29840	0.9
504.30984	34.1
505.31476	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	554.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99874	0.4
59.01355	0.3
61.59058	0.4
61.98833	100.0
63.34385	0.4
66.75550	0.3
67.29850	0.4
70.62954	0.7
70.63310	0.6
71.01383	2.2
73.02949	0.4
78.98590	1.8
79.95726	2.2
80.96521	15.9
85.02962	0.7
87.00893	0.6
94.98101	3.6
96.95987	0.3
97.03008	0.4
97.41576	0.3
101.02436	0.8
106.98096	0.9
122.97610	0.8
125.02475	0.9
127.04082	0.3
134.97591	1.1
148.99202	1.2
151.34688	0.3
152.98672	1.2
164.98619	3.0
225.00752	3.9
255.23343	1.4
256.23575	0.8
257.23978	0.5
299.04596	0.8
307.80942	0.3
378.61935	0.5
495.69641	0.4
497.99197	0.4
555.28448	27.4
564.24872	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.297
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45425	0.3
61.98832	100.0
63.54830	0.3
67.05814	0.3
70.38185	1.0
71.48547	0.2
75.27993	0.3
78.32237	0.3
78.98595	0.3
79.95769	0.4
80.96519	3.0
85.02926	0.3
91.91534	0.3
94.98083	0.6
106.98078	0.5
107.08117	0.3
122.14249	0.2
125.02483	0.3
134.97581	0.3
145.03006	0.5
148.99170	0.4
152.98726	0.3
161.63652	0.3
164.98642	0.8
171.67477	0.3
181.35728	0.3
193.52138	0.3
202.64189	0.3
225.00835	0.8
299.04669	0.3
459.42404	0.3
491.30423	0.8
512.51971	0.3
555.28455	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	554.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.4
59.45081	0.7
60.05011	0.7
71.51762	1.0
78.95912	22.4
79.95724	0.6
80.96485	0.7
83.01399	0.7
88.98805	3.6
114.75694	0.6
152.99586	3.1
168.04303	3.2
178.16756	1.0
224.06905	7.3
242.08017	2.2
265.36075	0.8
279.23297	100.0
280.23688	7.0
334.10260	0.7
335.08984	1.5
481.12750	1.7
504.30981	66.8
505.31415	5.4
524.55292	0.8
554.15747	1.3
554.27148	2.8
577.54620	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59196	1.0
53.18694	0.9
55.60302	0.9
59.01386	49.0
61.98835	100.0
69.76894	1.8
69.77297	5.0
71.01394	8.8
72.99328	1.1
73.02958	4.9
74.93606	0.8
75.00883	5.2
76.77331	0.9
83.01407	1.3
89.02448	6.5
90.41879	1.0
93.03485	1.0
96.95963	1.3
97.02913	1.5
101.02449	6.1
106.06629	4.0
109.02975	1.3
113.02438	4.8
119.03487	2.1
120.99492	1.0
125.02463	1.3
145.02948	1.3
147.04510	1.0
150.05591	4.4
153.09184	1.4
161.02473	5.4
161.04568	2.7
162.02786	2.6
164.07242	2.5
192.06764	1.5
194.04631	1.6
194.64485	1.0
237.04012	3.0
243.15912	1.2
257.08243	1.5
296.07953	1.0
297.04303	1.4
298.04382	2.7
356.09875	3.8
387.20322	8.2
405.21191	2.9
447.22354	27.7
448.22635	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	554.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
69.39707	2.6
71.01413	0.4
78.98628	0.4
79.95750	0.6
80.96516	5.3
84.20661	0.3
85.02987	0.3
87.00876	0.4
94.98114	1.1
111.48427	0.3
122.97618	0.4
125.02520	0.3
134.97603	0.3
145.02994	1.4
148.99295	0.4
152.98726	0.4
164.98634	0.7
225.00763	1.3
367.40164	0.3
399.25995	0.4
437.02094	0.4
491.29941	2.0
555.28455	8.7
555.36853	0.5
575.86823	0.3
583.92059	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.269
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	2.1
61.98844	2.5
63.96246	1.1
69.77116	2.8
69.77523	2.9
71.01385	7.2
73.02935	0.9
77.34673	0.9
78.98581	5.7
79.95731	11.5
80.96519	61.1
85.02940	2.6
87.00870	2.6
87.75186	1.0
94.98094	15.5
96.11855	1.1
96.96023	1.8
97.02949	1.1
101.02440	1.8
106.98085	3.0
109.02965	0.9
119.36003	0.9
122.97625	2.5
122.98495	0.9
125.02444	2.0
134.97600	5.3
136.99149	1.3
148.99188	4.7
152.98613	4.6
164.98625	9.8
200.94342	1.0
206.99750	2.9
220.63388	0.9
225.00768	11.8
253.21747	3.1
255.23322	6.6
299.04364	3.3
308.45026	0.9
393.29962	1.5
480.30969	2.9
525.01355	1.1
553.26837	100.0
553.33789	5.1
554.27191	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	553.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03241	0.8
55.95264	1.0
57.03449	1.6
59.01371	1.0
67.01923	1.1
69.03458	9.7
70.59436	1.9
70.59808	2.0
71.01383	2.0
71.05015	1.8
74.35157	0.8
83.05021	1.0
123.08161	2.3
125.09740	5.1
137.09721	1.4
137.14323	0.9
149.09674	1.6
151.11304	6.1
153.12842	1.9
161.09700	11.6
168.32814	0.9
179.10780	40.6
197.11835	98.1
198.12122	4.4
223.09723	5.5
241.08548	1.8
241.10800	15.8
255.23294	100.0
256.23611	6.1
297.13443	10.1
315.14502	20.9
335.72125	1.1
553.37494	98.1
554.37854	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04417	0.4
57.03441	0.5
59.01380	7.1
61.98827	0.7
63.38467	0.4
69.73056	2.3
71.01387	5.5
73.02933	1.2
78.95914	0.5
81.03468	1.2
83.01389	1.5
85.02954	2.9
87.00897	0.6
87.04498	0.8
89.02439	1.8
91.01885	0.6
95.01389	1.7
99.00874	0.5
101.02462	4.4
107.01382	2.2
108.02209	0.6
109.02958	31.1
110.03240	0.6
111.00876	1.6
111.90494	0.5
113.02458	1.8
123.00897	3.0
124.01653	1.6
125.02450	1.5
135.00873	1.8
135.04547	0.6
137.02425	1.0
147.04504	0.5
152.01181	2.8
153.01945	49.2
154.02299	1.1
163.03949	0.7
183.03867	0.4
189.27065	0.4
195.02989	6.9
207.02971	0.6
225.03917	0.6
229.53658	0.4
233.45200	0.4
237.03972	1.0
255.05141	5.8
297.06161	0.9
445.82248	0.6
553.26532	100.0
554.26862	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	553.266
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	9.7
60.99297	14.8
61.98838	79.5
71.31716	10.5
75.00792	4.6
80.96526	33.8
85.41582	4.4
88.98814	100.0
94.98091	7.2
108.73899	5.5
167.52325	4.9
174.67659	4.6
197.44508	4.8
201.14961	6.0
215.16455	14.2
333.09219	10.9
393.29684	7.7
479.12918	6.4
479.30423	5.8
495.17130	5.5
553.17584	7.7
553.26813	44.5
553.34167	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35622	0.6
59.01381	3.9
60.16716	0.6
71.01409	1.0
71.24092	0.7
72.00912	12.5
77.32957	0.6
89.17474	0.8
93.03452	5.8
98.19894	2.2
100.00415	55.2
106.04230	0.7
116.05070	10.7
117.03486	10.3
119.05035	98.5
120.05357	3.9
128.05006	0.9
130.06635	10.8
142.06633	56.4
143.06995	2.3
144.04558	2.0
145.02963	70.6
146.03287	3.0
146.06151	4.7
147.04578	4.7
156.00572	1.3
157.07727	15.9
158.06122	2.0
158.08064	1.0
159.09290	8.4
160.09764	0.7
162.05632	2.5
174.05591	4.1
176.07153	3.8
181.07715	1.9
183.05627	1.0
185.07263	4.2
186.05611	31.3
187.05943	1.8
188.07103	1.4
199.08788	1.9
202.05063	2.1
203.08290	3.1
211.08687	0.8
220.06157	1.8
229.06187	98.9
230.06535	5.1
252.02794	0.9
253.06512	0.7
262.12256	1.2
277.13565	1.6
287.11841	1.0
305.12979	11.1
331.10846	1.3
349.11935	91.2
350.12277	8.3
391.13135	1.4
493.15759	1.0
511.17380	3.3
535.40723	0.8
553.18292	100.0
554.18585	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	553.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20525	0.6
59.01382	3.1
71.01395	0.9
72.00918	11.9
73.02977	0.8
74.02480	0.8
80.93699	0.6
82.02979	0.8
93.03472	5.5
98.20658	1.2
100.00415	51.0
102.94382	0.7
110.71679	0.6
116.05074	10.4
117.03465	10.1
119.05032	96.5
120.05351	3.1
128.05057	1.7
130.06644	10.6
142.06628	59.4
143.06950	2.5
144.04533	0.9
145.02962	65.7
146.03320	2.9
146.06107	4.8
147.04512	3.5
154.06683	1.1
156.00682	1.2
157.07722	16.3
157.68373	0.6
158.06154	1.5
159.09306	8.2
162.05609	2.5
170.80145	0.7
174.05565	4.2
175.69368	0.6
176.07170	4.4
181.07700	2.1
185.07182	3.4
186.05617	32.7
187.06021	1.2
188.07246	0.7
199.08769	2.0
202.05074	2.2
203.08293	2.8
220.06154	2.0
226.00055	0.6
229.06178	100.0
230.06448	4.6
230.85451	0.6
262.12372	1.0
277.13541	1.4
287.11841	0.9
305.12961	10.6
331.10928	1.7
349.11938	90.2
350.12296	6.1
391.13184	1.5
433.14148	0.8
493.16260	2.2
511.17300	2.5
553.18292	98.8
554.18579	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	553.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	4.2
59.01374	4.4
61.98840	1.0
69.79119	6.0
71.01376	3.5
75.00872	30.1
83.01389	1.6
89.02448	1.7
93.03459	1.8
95.01413	1.1
101.02429	1.5
107.05032	1.8
109.02945	3.5
113.02440	2.1
117.03415	1.3
119.05042	2.7
123.04531	1.4
125.02454	38.6
133.02975	13.1
135.04520	9.6
137.02461	3.1
145.02951	5.8
147.04509	1.4
149.02423	3.0
150.03204	3.2
151.04004	4.7
157.06602	1.3
159.04536	1.8
161.02451	100.0
162.02800	3.6
164.01167	14.9
165.01912	3.1
165.05615	1.5
175.04022	2.4
177.01956	8.0
178.02684	2.0
179.03528	2.0
183.04535	1.3
185.06073	1.0
187.04053	1.3
193.05026	2.4
197.06044	1.2
201.05626	1.5
223.91096	1.2
225.05577	3.8
229.04904	2.0
237.04028	59.9
238.04321	2.1
241.05051	2.1
253.04907	2.4
263.07315	1.2
267.06668	4.0
269.04483	4.6
271.06116	11.1
279.03027	2.9
279.06421	2.3
281.04495	8.7
283.06070	3.7
285.07819	1.5
287.05542	3.0
297.04053	52.7
298.04321	2.9
307.05978	1.4
309.04001	1.4
347.09229	1.4
389.10275	2.2
407.11432	6.3
433.09286	22.5
434.09445	2.5
451.10275	4.4
509.10645	2.0
551.25146	1.0
553.16077	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.7
61.98833	100.0
71.01385	1.0
71.61716	0.8
75.00904	1.9
75.79717	0.7
78.95899	1.3
80.96528	2.4
95.01335	0.7
101.02462	1.2
104.10515	0.7
123.60448	0.6
177.86549	0.8
253.21709	0.8
254.22160	0.8
259.99973	0.6
277.21716	1.4
283.13501	1.6
371.14911	0.7
553.26965	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	553.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42754	1.7
59.01384	7.5
60.99311	13.5
61.98843	5.3
63.98520	1.7
71.01373	4.2
71.61324	2.9
73.02962	2.4
75.00875	9.7
86.72748	1.9
88.98811	91.2
89.02461	4.0
89.71817	1.8
101.02433	2.6
109.02972	4.4
113.02470	1.9
119.05038	5.8
121.02930	3.2
125.02454	3.5
133.02995	3.7
135.04495	5.5
136.61670	2.1
145.02974	5.0
150.03221	3.1
151.00357	6.5
161.02451	13.2
163.04016	3.3
178.99858	2.6
237.04005	6.2
243.02997	4.9
255.03024	16.6
271.02505	33.6
297.03970	4.1
300.02765	78.4
301.03531	27.9
433.09067	2.7
463.08847	100.0
464.08969	9.1
500.47122	2.1
553.29340	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	552.204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.4
61.98836	71.8
62.96430	1.5
62.98454	1.1
71.60847	2.4
78.95911	100.0
96.96003	2.0
96.96977	4.6
99.92596	12.5
102.49000	1.1
114.94924	7.8
115.92082	15.7
116.92873	4.5
137.99579	1.8
140.01190	1.8
141.96034	12.1
145.02948	1.3
150.98036	3.5
152.99597	52.6
165.91301	1.8
167.74553	1.1
178.88445	3.4
179.89212	17.3
180.90002	8.3
181.90825	2.5
192.00713	1.8
196.89493	37.7
204.92204	1.6
205.93152	4.9
218.91541	1.3
222.93434	4.0
235.91864	5.2
236.92604	3.9
255.23335	24.6
256.23727	1.2
277.95212	2.2
289.17294	1.1
319.85150	1.1
371.15134	1.8
376.34714	1.2
409.23755	7.0
411.18515	2.9
435.12231	1.6
450.26270	2.7
452.27783	2.7
475.15482	7.6
492.15927	7.1
509.16190	1.4
516.18317	17.1
517.18250	1.5
534.19250	7.7
552.20374	39.7
552.29108	2.0
553.20538	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	552.303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34413	1.0
59.01385	1.3
61.98837	100.0
71.01418	1.4
71.61785	1.5
75.00871	1.4
80.96517	1.2
93.23376	0.9
174.44414	0.9
178.72502	1.0
251.32158	1.0
254.22198	1.2
262.90649	1.0
271.81332	1.0
277.21646	1.2
287.11264	1.0
466.63492	1.0
553.27112	2.4
569.78265	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.7
59.01365	2.1
61.98826	1.2
69.27113	8.6
69.27528	1.5
71.05022	1.1
80.12153	0.9
83.01384	2.1
86.07100	0.9
167.14427	18.2
189.16489	1.6
191.14412	7.6
199.17041	94.2
200.17393	4.3
202.54100	1.0
207.17554	1.8
209.15448	25.6
209.17456	1.3
211.13475	1.5
223.16917	1.4
227.16539	4.8
229.14481	1.0
233.15475	50.3
234.15698	2.4
251.16525	26.6
252.16879	2.0
277.14398	3.6
295.15515	15.4
351.18149	9.9
369.19208	18.2
370.19516	1.3
551.35895	100.0
552.36243	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	551.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27189	1.1
53.38210	1.2
55.01885	1.4
57.03435	1.5
59.01387	51.6
63.56578	1.2
68.12610	1.4
70.47141	1.3
70.63238	3.7
70.63605	1.4
71.01395	12.2
73.02950	5.0
75.00890	8.6
82.47778	1.2
83.01394	2.6
85.02505	1.2
85.02969	5.1
87.00877	2.7
89.02484	1.8
101.02448	7.8
113.02442	4.4
113.09699	1.5
113.85527	1.2
119.05032	3.1
145.02972	4.3
161.02486	1.8
170.99783	1.3
177.05630	1.4
201.11276	2.4
226.32353	1.3
285.20828	3.3
303.21896	12.7
308.52567	1.4
329.23334	6.5
389.25446	6.8
447.25876	10.3
465.27039	19.5
466.27463	1.7
489.27133	2.3
507.28134	100.0
508.28445	10.5
527.04797	1.4
549.99951	1.4
551.30969	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	551.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87981	0.3
59.01381	13.9
61.98818	0.6
69.28540	2.2
69.28943	0.7
71.01387	2.7
73.02945	0.6
81.98401	0.3
82.52688	0.3
83.01415	0.5
85.02950	0.3
87.00922	0.3
89.02457	2.7
99.00862	0.4
101.02440	2.7
113.02451	1.5
117.03512	0.4
119.03517	1.0
133.05064	0.5
145.02936	1.8
161.04579	1.3
235.08221	2.9
253.09317	12.3
255.23300	100.0
256.23611	6.5
399.25470	0.6
429.92612	0.3
491.30585	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52745	1.3
57.03435	2.5
57.45720	1.4
59.01384	27.9
60.39611	1.4
61.98824	7.7
62.72163	1.8
71.01382	6.0
71.61501	1.4
73.02956	8.7
75.00856	3.5
83.05035	3.2
85.02911	2.5
87.00880	3.9
87.04540	3.2
89.02485	2.1
96.96014	5.0
97.03019	1.6
99.04536	1.8
101.02447	5.4
105.39085	1.8
109.02982	10.5
109.06587	6.4
111.08186	8.9
113.02439	2.4
113.06078	3.6
123.08146	3.4
125.02416	3.3
125.06126	3.5
125.09701	1.9
139.07643	4.6
141.09227	1.7
145.02924	2.6
150.06841	2.6
151.11267	2.1
153.09190	2.2
155.07072	1.8
157.08650	2.6
193.12337	2.9
197.11829	3.4
201.11328	2.5
217.10736	6.0
249.14912	4.3
255.88765	1.5
275.20154	10.1
291.19562	4.7
293.21326	2.1
304.75891	1.4
309.20602	2.8
319.19061	5.6
329.25061	1.8
333.20685	2.9
337.20172	26.9
338.20782	1.7
346.21252	2.3
373.27426	2.1
383.25894	3.2
401.27142	16.4
409.26108	2.5
435.27444	7.4
445.26025	27.8
446.26245	2.6
463.27255	100.0
464.27551	11.1
489.24948	1.9
507.25610	12.1
533.27338	3.8
551.28851	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	551.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13902	1.2
55.01865	3.8
57.01815	1.2
57.03443	2.5
57.09200	1.3
59.01384	19.2
60.90650	1.3
61.98824	3.5
62.27584	1.1
66.12583	1.2
68.21705	1.2
71.01382	3.6
71.32837	2.3
72.99313	1.3
73.02949	12.6
75.00871	1.9
84.75076	1.3
85.02969	2.3
87.00880	54.1
87.04510	5.2
97.06557	2.2
99.82655	1.2
101.02455	2.9
109.82621	1.1
112.01672	3.7
113.02447	2.5
113.06074	2.6
120.65284	1.3
121.06588	1.8
123.08168	11.7
125.02425	3.7
125.09716	8.1
130.80476	1.2
135.08138	3.0
137.09702	2.4
139.07645	1.9
141.09251	6.6
144.26884	1.3
145.28136	1.3
149.09683	1.4
153.09218	3.6
155.10780	5.0
161.04611	1.5
163.07608	3.5
165.09155	1.4
167.07185	2.0
167.10712	2.0
167.18427	1.3
169.08612	1.6
171.10292	1.3
181.08649	2.5
185.08113	1.6
187.09764	3.4
187.84222	1.2
199.09863	1.7
201.11267	3.2
203.09135	1.3
214.05261	1.3
279.16037	1.9
281.17548	4.4
293.21198	1.3
323.61295	1.3
329.33948	1.2
334.56030	1.4
337.20233	11.3
414.44559	1.4
445.26059	1.7
463.27515	100.0
464.27679	10.4
507.25720	7.5
551.24786	17.3
551.31873	1.3
552.25269	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.5
61.98835	100.0
98.19875	0.7
134.87813	0.4
144.80002	0.4
150.05934	0.4
206.96793	0.5
229.56700	0.4
252.20689	0.7
550.32104	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.4
60.07309	0.2
61.98836	100.0
69.39509	2.0
85.71731	0.3
98.20488	0.9
115.52795	0.3
251.20297	0.7
252.20691	1.2
253.20863	0.4
264.85751	0.3
551.24432	0.4
563.07056	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	14.7
61.98812	0.8
62.01389	0.5
68.27479	0.6
69.44598	4.0
69.45007	0.9
71.01379	3.1
74.26812	0.6
85.02953	0.9
89.02462	2.0
90.06078	0.6
91.88013	0.6
101.02475	3.0
113.02449	1.1
119.03506	0.6
119.14188	0.5
131.42705	0.7
143.03503	0.6
161.04617	1.2
235.08264	1.6
240.45393	0.6
253.09300	12.4
253.21732	100.0
254.22098	6.4
324.16849	0.7
395.31677	0.7
537.05798	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01095	1.1
59.01382	19.9
61.98810	1.4
70.63194	2.1
70.63534	1.5
71.01385	6.1
71.82650	0.8
75.00892	1.4
83.01388	0.9
85.02954	1.7
89.02455	6.4
96.95998	1.5
101.02448	6.4
113.02456	2.7
119.03499	1.6
139.35390	0.7
152.39246	0.8
161.04527	2.9
176.49162	0.8
179.05634	1.3
213.69649	0.9
219.22360	1.0
235.08240	1.1
236.61749	0.8
253.09293	21.3
253.21722	100.0
254.21976	5.7
296.25137	0.9
305.07867	0.9
381.74289	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92129	1.9
59.01382	100.0
71.01380	16.3
71.61554	2.2
71.61974	1.9
73.02944	8.9
75.00879	7.6
78.95920	1.7
79.47491	2.1
79.64429	1.9
83.01400	2.1
85.02963	8.2
87.00883	6.4
89.02457	11.5
97.02946	2.0
99.00915	2.7
101.02447	8.0
109.02950	1.9
113.02442	7.1
119.03455	2.0
125.02464	2.3
161.04518	5.6
185.02437	2.6
201.11301	3.8
205.07349	1.9
226.79520	1.7
254.05774	2.1
387.23959	11.9
429.09720	4.9
429.21262	18.0
430.21487	2.7
447.22253	23.4
448.22504	4.4
549.30621	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	549.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87995	0.9
59.01384	15.1
64.64948	1.0
70.24931	2.4
70.25328	1.7
70.97701	1.0
71.01383	3.3
78.95898	1.6
79.72745	1.0
86.67213	1.0
89.02457	3.1
96.96014	4.1
98.19927	1.8
98.20496	1.8
101.02451	3.4
118.10432	1.1
119.03536	1.4
121.02982	1.2
124.77668	1.1
149.72719	0.9
161.04556	1.4
235.08272	1.7
240.87341	1.1
253.09296	15.3
253.21730	100.0
254.22011	5.9
255.23160	1.4
404.53815	1.2
463.83002	1.3
511.96283	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91718	1.2
55.01880	1.7
57.03434	1.6
59.01382	94.3
60.99307	18.0
61.98833	1.6
71.01387	23.2
71.61253	2.7
72.99309	2.3
73.02950	7.5
75.00874	6.5
83.01395	3.9
85.02969	10.5
88.98813	100.0
89.02442	6.8
95.48518	1.6
96.95987	1.6
97.02930	1.5
99.00880	3.5
101.02451	15.5
113.02475	8.8
126.83183	1.4
130.43102	1.5
131.03511	1.7
143.03447	2.3
155.10956	1.4
161.04559	3.7
171.10242	1.8
173.02431	2.8
201.11377	1.6
225.83591	1.5
228.63330	2.0
279.02942	1.8
325.23831	2.2
327.21866	4.4
343.25003	4.3
369.22549	2.2
375.23920	18.9
387.08551	2.2
387.23859	16.5
403.04593	3.2
417.24893	5.8
429.09924	2.9
429.24997	2.9
505.26254	4.7
507.28232	15.9
549.29169	18.1
550.29358	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	4.3
57.03443	7.2
59.01384	34.3
61.98829	34.4
69.03480	3.4
71.01372	12.3
71.10358	4.8
75.00843	3.4
78.23171	2.2
81.03458	10.5
83.01398	12.2
83.05013	2.6
85.02969	4.3
89.02413	2.9
89.48012	2.5
95.01382	4.5
97.02958	3.3
99.00868	17.4
101.02454	2.6
109.02955	7.7
111.00878	38.8
112.98823	11.1
113.02458	7.0
113.36382	2.1
120.03873	2.4
121.02943	2.7
123.04543	4.3
125.02457	19.8
127.00365	10.1
141.01909	6.2
142.99876	7.2
154.99872	9.7
159.02982	5.2
173.06047	2.7
181.15987	16.9
187.02507	13.9
205.15944	10.9
215.01956	17.2
221.19095	11.7
245.19113	32.3
247.17000	22.2
255.22151	2.3
263.20148	5.1
265.17990	3.0
287.20078	9.4
289.18091	76.1
290.18533	3.8
307.05991	3.2
307.19128	25.2
331.19177	21.4
333.17105	47.1
349.20160	8.3
375.18124	100.0
376.18463	7.7
379.59650	2.5
413.15848	3.4
425.19543	5.7
443.20834	3.4
459.20425	3.7
469.18326	7.1
487.19571	15.1
531.18555	13.1
549.19763	43.7
549.27655	4.7
550.19916	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	549.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.5
57.03440	1.5
59.01147	0.4
59.01386	6.3
60.48892	0.4
61.98840	3.9
65.00328	1.0
67.01894	0.6
68.99817	1.3
69.03455	1.5
69.35093	3.9
71.01385	3.6
71.40009	0.4
72.99293	0.5
73.02951	0.9
74.61536	0.4
75.00863	3.1
81.03463	1.9
83.01391	6.4
85.02950	0.9
87.00892	0.6
87.91267	0.4
89.02439	0.8
93.03465	0.7
95.01391	2.8
95.05074	0.4
97.02959	2.0
99.00877	5.9
101.02432	1.5
107.01403	0.4
107.05025	1.3
109.02967	2.5
111.00888	6.7
112.98839	0.6
113.02437	1.4
116.18167	0.4
119.05041	0.7
121.02988	1.0
123.00864	1.2
123.04520	1.8
124.98782	0.9
125.02457	5.3
127.00399	5.1
133.02980	0.6
133.06564	0.7
135.03009	7.0
135.04520	4.7
137.02458	0.9
139.00410	0.9
141.01979	0.6
142.99854	3.1
147.04460	0.5
153.01924	1.2
159.02998	1.5
161.02425	0.4
165.01785	0.5
166.99844	0.9
169.01453	0.6
171.02971	1.0
181.08679	0.5
181.15981	2.7
187.02484	4.5
197.00986	0.6
203.17966	1.0
205.15999	4.1
215.02057	0.5
221.19128	2.2
223.17123	0.5
231.17677	0.5
243.17511	0.4
245.19116	9.4
246.19522	0.5
247.16995	4.6
257.19055	1.0
259.20581	0.4
263.20184	1.5
265.17700	0.4
271.20563	0.6
272.76483	0.5
273.18518	1.2
285.18442	0.6
287.20181	8.6
289.18079	6.9
291.15994	1.1
297.18610	0.8
299.20175	3.2
301.17889	1.0
307.19092	3.2
315.19608	0.7
317.17819	0.5
325.18149	1.0
327.19818	0.7
331.19168	14.5
332.19461	1.1
333.17099	3.2
341.17545	1.0
343.19070	4.4
359.18484	0.9
369.17068	1.5
371.18854	0.8
373.19916	0.5
375.18112	100.0
376.18463	8.0
385.16483	0.5
387.18066	2.8
403.17639	1.0
413.16074	2.0
413.21201	0.7
477.21045	0.6
487.19391	0.5
489.18613	0.4
489.34628	0.7
496.92010	0.4
505.20959	1.1
521.20203	2.4
531.19208	0.5
549.19598	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	549.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79040	0.8
57.26900	0.7
59.01381	10.3
61.98829	2.2
71.01381	5.9
71.61086	1.1
72.99308	1.1
75.00878	46.1
85.02960	3.0
89.02451	4.2
93.03456	4.6
96.96017	7.8
101.02468	3.4
109.02956	14.7
111.00913	1.2
113.02456	2.1
117.03463	1.5
119.03520	2.5
119.05025	1.5
121.02967	24.7
123.04538	2.6
127.52000	0.8
129.01970	1.2
133.02977	2.2
134.03775	0.9
135.04550	4.4
141.03465	1.3
143.03502	0.9
145.02965	24.2
146.03571	0.8
147.04477	5.9
154.58318	0.8
157.02963	4.2
158.03763	1.0
159.04532	8.6
161.02451	13.1
161.04529	1.1
163.33269	0.9
167.05171	0.9
169.06522	1.2
171.04576	0.9
173.02451	46.7
174.03227	9.2
175.04019	8.0
177.05722	0.8
179.03450	1.3
179.05580	1.5
181.06650	1.2
185.02444	50.4
186.03082	3.0
187.04007	4.6
189.05678	0.9
191.07231	1.4
195.04503	1.4
195.08066	1.2
196.05222	1.4
197.06079	5.2
198.03250	3.1
199.03996	1.4
203.03552	6.6
208.05243	1.0
209.06119	3.4
210.06885	2.0
211.07632	14.6
212.08006	9.5
213.05583	1.3
213.08275	6.1
213.87627	1.0
219.04504	1.2
221.06097	1.6
223.07658	2.8
224.04727	1.6
225.05586	10.3
225.09151	1.3
226.06252	1.6
227.07137	1.0
233.06093	2.4
235.07632	1.7
237.05736	6.1
238.06297	2.1
240.04243	2.1
241.05109	3.6
243.06647	17.8
248.04723	1.6
249.05534	1.7
251.07204	2.6
253.05069	34.1
254.05840	16.4
255.06647	26.3
256.06940	1.8
260.04779	2.1
261.03793	3.3
261.05627	6.2
262.06207	1.9
263.06860	2.0
264.04218	2.0
265.05060	6.2
265.08566	1.6
266.05920	3.3
267.06683	6.6
269.04401	1.2
273.05530	1.2
274.06415	1.0
275.07104	1.8
276.04312	2.4
277.05124	8.6
278.05798	7.7
279.03360	1.3
279.06619	17.0
280.03741	1.9
280.07233	2.5
281.04565	3.6
281.08224	8.0
289.05060	7.8
290.05865	5.6
291.06628	3.6
292.03879	1.9
292.07050	0.9
293.04562	9.2
293.08215	5.0
294.05307	10.0
295.06055	5.8
297.11362	1.6
298.11676	2.4
299.12183	1.9
301.05167	2.3
304.03912	1.2
305.04568	3.1
306.05316	5.2
307.06119	51.6
308.06509	4.2
309.07614	2.5
319.06113	17.4
320.06766	3.4
375.13242	1.1
385.10040	1.0
387.08658	6.4
393.08075	0.8
403.11914	10.7
411.08850	2.2
429.09827	100.0
430.10162	11.4
447.10974	4.4
505.11673	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	17.5
61.98822	2.6
71.01385	6.8
72.99319	1.5
73.02960	1.8
75.00880	33.1
85.02966	2.6
88.45550	1.8
89.02445	3.5
93.03449	5.0
101.02445	4.8
102.96143	1.9
109.02961	19.9
113.02440	2.6
117.03456	2.7
119.05012	7.4
121.02963	28.4
123.04510	5.1
129.61018	1.7
131.48586	1.7
135.04510	6.0
145.02948	21.6
147.04521	4.8
157.02924	5.1
159.04533	11.5
161.02423	14.3
163.04042	4.2
173.02454	38.1
174.03204	9.7
175.04030	8.8
185.02440	36.7
186.03004	2.4
187.04039	2.3
197.06064	5.5
197.11142	1.7
198.03203	3.5
203.03577	9.5
209.05995	4.3
213.05515	2.2
224.04691	2.4
225.05620	9.3
226.06078	1.7
237.05547	5.2
239.03261	1.7
241.04919	4.4
243.06659	19.7
248.04695	2.3
249.05431	2.6
250.06519	1.7
251.07059	1.9
252.04031	2.7
253.05058	28.8
254.05775	14.2
255.02933	1.9
255.04117	2.0
255.06642	17.6
257.04309	1.9
261.03809	5.8
261.05597	6.9
262.40622	1.7
263.07117	2.4
265.05093	4.9
266.05722	2.4
267.06705	8.6
276.04193	2.7
277.05121	8.1
278.05817	3.7
279.06638	15.8
281.04886	2.3
281.08096	6.2
285.04037	3.3
289.05087	4.8
290.05707	5.2
291.06396	2.4
293.04562	12.3
293.07877	4.0
294.05319	18.4
295.06079	9.3
301.04913	2.2
305.04489	3.1
306.05322	5.4
307.02747	3.3
307.06122	44.4
308.06363	3.1
319.06299	12.0
320.06702	2.4
327.21722	2.1
335.87466	1.8
339.12329	3.6
369.22925	1.8
387.08667	4.8
387.23871	4.4
403.11798	10.1
429.09805	100.0
430.10095	9.7
447.10690	5.0
473.07672	2.2
505.11389	4.8
549.19891	2.6
549.28851	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	549.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52410	0.2
53.07126	0.3
59.01379	0.8
71.41547	0.4
73.36129	0.2
77.03967	1.5
82.44083	0.2
87.22530	0.3
88.66570	0.3
93.03467	0.4
117.90472	0.2
121.02962	100.0
122.03287	2.8
125.57466	0.3
135.04582	0.3
137.02472	0.3
165.01936	50.3
166.02280	1.3
180.05783	0.7
181.06613	2.3
197.06108	2.2
207.04532	0.9
207.07909	0.4
208.04857	0.3
223.04019	0.3
225.05559	1.3
228.84676	0.3
234.11243	0.2
251.07088	0.3
256.08939	0.3
257.09683	0.8
301.08923	0.3
313.07050	1.5
357.06216	1.0
383.07587	0.5
417.09753	1.8
418.10095	0.3
462.06934	0.3
505.11136	1.5
549.10413	27.0
550.10504	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	549.105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06692	0.6
57.24722	0.5
59.01400	3.2
61.98820	1.6
68.80046	0.6
71.01400	1.5
71.60950	1.1
75.00880	34.0
81.23620	0.6
84.68916	0.5
89.02429	1.1
93.03471	4.5
108.02165	1.6
109.02956	17.9
113.02468	0.9
116.92853	0.7
117.03432	0.7
119.05016	2.5
121.02965	23.8
121.48896	0.7
123.04536	2.4
133.02956	1.3
135.04558	4.1
137.02408	0.7
141.03378	0.7
143.12430	0.7
145.01871	1.2
145.02971	18.8
146.03658	1.0
147.04552	5.3
149.02428	1.1
149.06021	0.7
157.02942	3.8
158.03758	1.7
159.04518	10.0
161.02446	9.9
163.04019	0.8
169.06529	0.8
173.02451	37.9
174.03191	9.0
175.04025	6.7
179.03499	1.0
183.04474	1.2
184.88464	0.6
185.02449	40.0
185.06006	1.4
186.03076	3.2
187.03998	4.2
196.05304	0.7
197.06070	2.9
198.03232	3.3
199.03940	1.2
203.03517	9.3
209.06035	1.6
213.05548	0.8
217.04976	1.2
221.06194	1.0
223.07661	2.3
224.04881	3.2
225.05562	8.8
226.06116	0.8
227.07251	1.5
232.05325	1.1
233.06078	2.3
235.04013	1.2
236.04803	1.1
237.05637	6.3
238.06265	1.4
239.03537	1.2
240.04106	1.3
241.05017	2.5
242.05774	1.0
243.06638	19.3
244.07018	1.1
245.06113	0.8
248.04764	1.8
249.05588	2.5
250.06235	1.0
251.03506	1.3
251.07202	2.1
252.04268	2.9
253.05081	27.2
254.05806	13.5
255.06633	22.4
256.06979	0.9
261.03940	6.3
261.05814	4.7
262.06290	2.5
263.07104	2.1
264.04245	1.7
265.05084	6.1
266.05762	2.3
267.06659	7.3
272.04642	0.9
273.05524	1.0
274.06332	0.9
275.07126	1.4
276.04260	4.6
277.05078	8.6
278.05814	5.7
279.03119	2.5
279.06589	15.6
280.03772	6.7
280.07043	1.9
281.04611	3.5
281.08215	7.7
288.04410	0.9
289.05051	3.8
290.05789	4.8
291.06497	3.6
292.03784	2.3
292.07138	1.5
293.04544	13.0
293.08157	4.2
294.05383	15.8
295.06116	9.0
301.05005	2.2
304.03824	0.9
305.04599	2.9
306.05246	5.7
307.06128	47.1
308.06390	3.3
309.07626	1.4
317.04718	1.3
319.06143	15.5
320.06851	2.8
369.07962	0.8
387.08630	5.2
401.10236	1.3
403.11957	11.7
411.08539	2.1
429.09805	100.0
430.10150	9.6
443.11255	0.9
447.10889	4.7
473.08621	0.7
505.11536	3.4
506.11630	1.0
564.50635	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.0883
Annotation	Quercetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
50.94136	0.5
59.01376	1.9
61.98825	0.8
62.44970	0.6
69.30071	2.6
69.30497	2.9
72.99322	1.2
73.12518	0.6
75.00876	100.0
76.01218	0.8
83.45612	0.6
93.03453	3.9
98.19905	1.1
101.02435	0.7
106.91784	0.6
107.17592	0.5
109.02963	2.3
111.00873	4.6
117.03484	0.7
118.99888	1.1
119.05008	2.3
121.02966	2.6
128.75180	0.6
135.04565	1.0
142.41544	0.6
143.42303	0.6
145.02936	2.9
159.04524	1.1
161.02415	0.9
163.04018	0.8
169.06628	0.7
173.02463	3.0
175.03967	1.8
177.05562	0.7
185.02438	3.6
195.08153	5.2
197.09740	1.1
203.03499	0.9
211.07660	1.0
223.07634	15.1
224.07863	0.8
225.05557	1.2
229.05002	0.7
239.10779	3.2
240.04353	0.7
241.04955	1.6
241.08784	2.5
242.02463	0.6
243.06668	1.4
249.05612	0.6
253.05038	3.1
254.05807	1.4
254.30672	0.6
255.06711	1.6
261.05768	0.8
265.05643	0.9
265.08649	6.7
267.06598	2.5
277.04968	1.0
279.03525	0.6
279.06665	1.6
279.10284	0.6
281.08102	1.3
283.09781	2.2
285.07764	1.7
290.06021	0.6
293.04593	1.7
294.05386	1.6
295.06018	1.0
297.10852	0.8
299.09256	7.0
307.06116	4.7
309.07690	9.8
319.06210	1.4
327.08820	1.6
343.08121	3.6
385.09378	4.7
386.09308	0.7
398.98352	0.6
401.09122	1.1
403.11234	1.4
429.09842	10.4
430.10101	1.1
549.16193	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80384	1.5
56.07315	1.5
59.01388	13.2
71.01369	2.9
71.61435	3.5
75.00881	23.3
88.23621	1.7
89.02464	2.9
93.03465	3.9
100.84396	2.0
101.02447	2.5
107.01383	5.1
109.02973	9.3
119.05016	2.2
121.02972	22.9
135.04523	4.4
145.02975	9.5
147.04532	2.1
148.01605	2.5
151.00375	9.6
159.04501	3.8
161.02428	6.2
163.00348	1.8
173.02490	10.1
174.03247	2.6
175.04066	3.0
178.99811	4.9
183.04565	1.9
185.02452	12.2
197.06004	2.1
203.03462	4.2
211.04024	2.0
225.05496	3.5
226.02640	2.5
227.03445	3.1
237.05620	2.1
241.05038	2.1
243.02997	11.0
243.06549	4.4
253.05119	8.1
254.05698	3.7
255.02998	28.1
255.06490	5.4
261.03915	2.4
265.05066	4.1
267.06531	4.4
271.02469	57.5
272.02963	5.7
277.04959	3.2
279.02731	1.8
279.06595	5.9
281.08069	4.1
290.05984	1.8
293.04584	4.2
294.05280	4.3
295.06198	4.2
300.02762	100.0
301.03427	39.4
302.03699	3.4
307.06064	14.6
308.06531	2.5
319.06104	4.4
343.32678	1.7
403.11887	4.9
429.09756	32.5
430.10187	3.0
447.10760	10.8
463.08789	6.9
473.08606	1.7
490.68860	1.6
505.09912	69.9
506.10178	6.5
528.59064	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94259	0.6
59.01381	12.7
61.98836	11.2
62.07451	0.6
67.92769	0.8
71.01386	4.6
71.61693	0.9
72.99311	1.7
73.02955	0.8
75.00876	100.0
85.02940	1.1
89.02436	5.0
93.03460	4.7
94.66116	0.7
101.02438	2.8
109.02966	3.8
111.00880	3.9
113.02477	1.6
118.99915	1.2
119.03498	1.3
119.05039	2.7
121.02944	5.4
123.04482	1.0
135.04538	1.4
145.03000	4.8
145.06583	0.8
147.04535	1.8
156.10376	0.6
157.02960	0.9
159.04503	2.1
161.02434	2.7
161.04504	1.2
163.04018	1.1
163.06201	0.7
163.07603	0.7
164.04796	9.8
165.05128	3.9
166.05275	1.6
173.02470	6.6
174.03229	1.4
175.04045	2.2
177.05644	0.8
179.05605	2.2
179.07155	9.5
180.07489	5.4
181.07678	1.5
185.02443	7.5
187.04036	1.3
195.08173	5.8
197.06007	0.6
197.09590	0.7
198.03117	0.7
203.03465	1.6
209.06052	1.1
211.07558	1.0
223.07646	16.1
223.09547	0.7
224.08028	0.8
225.05553	1.5
237.05623	0.9
237.09163	1.2
239.10806	3.6
240.11267	0.7
241.08661	2.0
243.06606	3.3
248.04768	0.7
249.05704	0.9
251.06985	1.1
252.04367	0.9
253.05025	5.1
254.05721	2.0
255.06636	5.1
261.03622	1.0
261.05978	1.2
263.07166	0.7
265.05542	1.0
265.08737	7.0
266.05911	0.6
267.06601	2.6
276.04446	0.6
278.05801	0.9
279.03387	1.2
279.06653	3.7
280.03659	1.8
281.04547	1.6
281.08337	1.8
283.09784	2.8
285.07660	3.0
289.05228	1.0
290.05850	0.9
293.04529	2.1
293.07907	1.0
294.05472	2.1
295.06046	0.9
299.09241	6.9
301.04755	0.7
305.04617	0.7
306.05319	0.8
307.06134	9.4
309.07639	10.5
310.08005	0.8
315.12558	0.7
319.06232	3.1
327.08734	1.8
343.08386	4.5
385.09320	5.6
387.08713	1.3
403.11575	1.8
429.09802	19.2
430.10101	1.8
434.79068	0.7
485.62766	0.8
549.22394	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.235
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59753	2.7
59.01381	100.0
61.98833	39.6
71.01373	9.7
73.02933	2.9
75.00883	5.4
85.02921	2.5
85.32246	2.5
89.02429	4.2
98.65665	2.2
101.02438	6.1
113.02452	6.0
119.03503	3.4
137.93272	2.3
147.20763	2.6
161.02411	2.7
161.04617	3.8
179.05653	2.8
271.22800	6.1
415.27097	14.3
429.09659	3.1
457.28036	7.2
475.28854	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	548.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.4
61.98835	100.0
69.47502	1.8
74.03741	0.2
77.07465	0.2
79.61713	0.2
80.96543	0.5
86.38187	0.2
94.40744	0.2
98.20649	0.4
129.03659	0.2
143.26263	0.2
148.49586	0.2
150.77858	0.2
207.10782	0.2
247.00043	0.2
249.18658	0.7
250.19002	0.7
251.19281	0.4
276.31024	0.2
363.05005	0.2
549.23724	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.0
61.98832	100.0
69.39615	2.1
98.20658	0.7
113.56691	0.3
126.32834	0.3
161.02582	0.4
166.63254	0.3
249.18704	0.7
250.18970	0.6
251.19435	0.3
262.28558	0.3
548.29126	0.4
550.08563	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01097	3.1
59.01391	61.8
61.98833	29.7
71.01401	16.4
72.99326	2.2
73.02955	7.0
74.02480	93.0
75.00874	12.2
83.01391	2.7
85.02962	6.3
88.70444	1.7
89.02464	4.7
90.00010	1.8
101.02464	12.7
104.64990	1.7
109.02914	2.5
113.02462	4.7
120.59333	1.9
129.96481	1.7
138.45369	2.0
145.03050	2.3
158.21625	1.8
159.04417	1.8
161.02406	3.7
197.06108	5.7
198.06471	3.2
229.64223	2.1
300.21817	2.0
307.06290	1.9
327.21701	2.4
386.26035	2.3
402.53140	1.9
416.29236	1.9
429.09680	5.1
441.21454	3.8
444.26126	7.1
459.41916	2.3
462.26831	10.1
504.28217	100.0
505.28424	10.1
548.31738	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	547.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29644	1.0
56.91359	1.0
59.01385	16.6
60.18891	1.1
60.99314	15.6
61.98829	1.7
71.01397	5.3
71.61138	1.1
73.02959	2.8
75.00880	9.9
77.85040	1.0
83.01359	1.3
85.02980	1.7
87.00858	1.3
88.98817	100.0
89.02456	2.1
90.48288	1.2
96.96045	1.3
97.06596	1.8
99.08180	1.0
101.02451	2.9
109.02975	1.5
113.02458	3.6
116.92863	1.1
119.05009	2.5
125.09742	1.9
133.03001	1.3
135.04503	1.5
141.09232	1.3
145.02957	5.9
147.70190	1.0
153.09285	0.9
159.04549	1.2
161.02409	5.5
161.04527	1.3
163.03992	1.1
171.10257	4.6
179.10771	4.3
185.02415	3.6
197.04156	1.2
203.03424	1.0
211.07530	1.8
223.09705	1.6
241.05087	2.7
244.91470	1.1
270.24918	1.0
279.02853	1.2
281.08118	1.2
323.22290	2.9
341.23334	15.6
361.06537	1.1
367.21252	8.7
385.22342	46.0
386.22668	1.9
427.08154	4.3
427.23376	1.2
547.19977	2.1
547.27972	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	548.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57089	0.4
59.01384	40.4
61.98835	100.0
69.95098	1.5
69.95514	0.8
71.00801	0.5
71.01385	8.9
71.01759	0.6
72.99325	0.5
73.02958	5.5
75.00878	0.6
80.83266	0.5
83.01392	2.2
85.02971	1.9
87.00927	0.5
88.44662	0.5
89.02444	3.3
89.24981	0.5
95.01446	0.5
98.20603	0.9
99.00893	0.8
101.02458	8.2
113.02455	4.0
119.03523	1.8
131.03479	0.5
135.04575	1.1
143.03554	1.4
145.70148	0.5
147.06216	0.5
149.04576	1.7
161.04553	3.9
179.05693	0.9
229.97563	0.5
257.34909	0.5
262.85492	0.6
298.66110	0.5
309.09808	0.5
375.18112	0.8
381.22763	1.3
399.23853	6.1
399.27774	0.5
441.25128	1.7
507.36530	0.5
529.96765	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52868	0.3
55.33662	0.4
59.01388	6.1
60.39717	0.4
70.92252	0.8
71.01389	3.2
73.02940	0.8
75.00879	12.3
76.46930	0.4
79.11712	0.3
82.41899	0.4
83.01382	0.4
85.02947	1.1
89.02439	2.1
93.03479	1.1
96.96031	0.8
101.02461	1.6
106.06638	0.6
109.02977	0.9
113.02433	1.2
119.03523	0.6
119.05035	6.4
120.05460	0.3
120.66496	0.4
125.02455	0.5
125.76414	0.4
133.06657	0.4
135.04518	0.9
136.05302	4.3
138.05579	0.4
145.02934	2.2
150.05635	0.7
161.02463	1.5
161.04546	0.8
163.04033	3.6
164.04802	83.4
165.05138	3.0
177.05614	0.9
179.07146	100.0
180.07510	4.1
191.03357	0.4
210.06802	0.7
211.07707	2.5
221.04529	2.0
223.07649	0.7
227.07199	0.4
237.09200	0.6
239.10727	3.3
253.08482	0.5
265.08719	0.6
279.03058	0.8
283.09683	0.9
285.42691	0.4
297.11450	0.5
307.10281	0.4
341.10043	0.5
347.14981	0.6
383.09705	0.6
400.05743	0.5
401.06726	1.0
445.15073	0.6
487.25537	0.8
503.15680	3.5
547.11511	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
57.03447	1.8
59.01378	1.0
70.20245	1.7
71.01389	10.3
71.12745	0.3
71.34769	0.3
72.99318	0.4
73.02960	0.6
75.00877	7.1
85.02435	0.8
85.02957	14.9
88.49236	0.3
93.03468	2.8
96.96030	0.4
117.03466	0.5
119.03693	0.4
119.05029	6.8
119.05802	0.7
121.02964	0.5
123.04533	0.6
129.01961	5.6
135.04555	0.6
141.14964	0.4
145.02948	0.9
147.04520	0.4
159.04546	0.8
163.04004	0.8
169.06575	0.4
173.06099	1.2
177.05617	1.3
183.08139	0.7
191.07158	7.0
209.05887	0.5
210.04826	0.7
210.06871	18.0
211.07657	100.0
212.08006	5.9
223.07687	1.5
225.09248	7.0
237.09184	1.8
239.10747	0.4
253.08777	0.5
265.08694	0.5
279.03195	0.5
283.09793	1.3
297.11337	19.1
298.11636	1.3
341.10236	1.9
372.30838	0.4
373.12927	5.6
374.13412	0.4
374.91489	0.4
445.14444	0.5
503.15366	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.0731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91409	2.9
69.94360	11.9
69.94773	5.2
75.00885	3.8
75.52392	2.3
93.03458	16.5
100.97792	3.0
102.96704	2.6
109.02956	100.0
118.99845	9.8
119.05044	7.0
131.05008	6.4
133.06598	7.3
145.02937	11.8
147.04510	11.8
149.06064	4.8
150.55222	2.5
159.04517	7.0
161.02417	7.9
161.64760	2.8
175.04063	3.6
177.05574	68.7
178.05928	5.1
193.05022	9.3
204.00523	2.7
265.03436	3.9
318.19971	2.7
431.85126	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	547.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.6
59.01379	0.9
63.92839	0.3
69.38184	1.9
69.38610	1.5
71.00989	0.8
71.01390	13.8
73.02937	0.5
75.00880	12.7
78.43672	0.4
82.35802	0.4
85.02960	15.3
87.95876	0.4
93.03484	2.9
98.19914	0.6
101.02432	0.5
117.03429	0.4
119.05035	9.5
123.04531	0.5
129.01950	8.5
131.05077	0.6
135.04568	0.7
145.03036	0.5
145.06604	0.7
158.03708	0.4
159.04559	1.0
161.02454	0.4
161.04562	0.6
163.04002	0.6
173.06091	1.3
177.05615	1.6
183.08177	0.5
191.07144	8.2
192.07468	0.5
209.06006	0.5
210.06877	20.9
211.07654	100.0
212.07976	5.4
223.07640	2.3
225.09229	6.6
237.09256	3.0
239.10684	0.7
253.08647	0.6
265.08704	1.1
279.03046	0.6
283.09747	1.2
297.11343	15.7
298.11673	1.4
341.10336	1.7
373.12863	5.6
376.57761	0.4
459.16779	0.7
503.15979	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	546.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32702	0.5
52.42611	0.4
52.44967	0.4
58.66718	0.4
59.01381	6.2
71.01389	11.9
71.61991	0.5
72.01721	0.8
72.99328	0.4
73.02949	0.9
75.00877	19.3
75.41335	0.4
76.01217	1.2
83.01382	0.4
85.02935	2.1
87.00898	0.5
89.02445	2.1
93.03472	1.4
96.96004	0.6
97.02966	0.7
99.00895	0.6
100.12428	0.4
101.02431	1.1
104.05083	0.7
106.06634	100.0
107.06970	2.9
109.02977	1.0
113.02430	0.8
117.03464	0.8
119.03530	0.8
119.05052	2.1
123.04554	0.6
125.02477	0.5
129.01953	5.5
130.02287	1.0
133.02980	0.8
135.04501	2.7
145.02957	2.5
150.05617	85.4
151.06024	2.5
159.04546	0.5
161.02519	2.2
161.04588	1.6
163.03976	0.9
177.05623	1.0
179.03456	1.3
179.05672	0.6
194.04549	3.3
210.06877	4.5
211.07501	6.6
212.07916	2.8
221.04500	0.5
237.09212	1.3
238.09561	1.1
239.10637	1.1
240.11285	0.5
254.09056	0.6
265.08609	1.0
279.03107	0.6
326.12549	0.7
370.11435	31.4
371.11789	1.5
416.13992	2.3
471.07425	0.9
546.18250	35.1
547.11426	0.6
547.18402	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	545.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	4.2
57.28246	0.7
59.01384	27.1
61.98844	5.5
69.03452	1.5
70.19334	1.8
70.19720	3.0
71.01387	11.5
71.05026	3.2
72.02174	9.3
72.99311	2.1
73.02967	7.1
75.00879	3.0
81.07100	1.4
83.01414	1.2
83.05006	1.6
85.02953	3.7
85.06591	3.6
87.00850	1.8
87.04544	0.8
89.02443	4.3
93.03477	1.1
95.05051	1.1
96.96027	1.9
97.02950	0.7
97.06586	6.9
99.04534	1.6
99.08164	1.1
101.02464	4.7
101.52948	0.8
104.72083	0.7
111.08147	1.4
113.02452	3.6
113.06113	4.6
113.09752	2.5
115.07670	1.0
116.92911	0.9
119.03522	1.2
119.05087	0.7
121.06628	1.5
123.04575	0.9
123.07336	1.5
123.08175	19.4
125.06078	1.3
125.09737	1.1
127.04041	0.7
129.68254	0.8
135.04503	1.0
137.09740	2.9
139.07623	0.9
141.09235	57.5
142.09554	2.2
149.04515	0.9
151.11302	1.1
155.10765	1.2
161.02437	1.0
161.04652	1.6
167.07076	1.8
168.30145	0.9
169.12297	2.1
171.37408	0.7
177.01862	0.9
197.15475	0.9
241.21919	1.3
251.16721	0.8
251.20120	0.9
255.03030	0.9
267.23242	0.8
283.22772	1.4
291.19702	1.0
295.22693	0.9
309.20682	1.4
313.23935	1.5
315.25385	4.8
365.23248	0.9
383.24454	1.5
413.32709	1.5
429.35776	6.2
430.36533	0.9
434.37018	0.9
457.35471	100.0
458.35892	9.9
483.33377	15.2
484.33810	1.6
501.34421	10.1
502.34833	1.5
503.24948	1.3
503.32370	1.3
545.28900	5.0
546.33081	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	7.2
58.97260	0.7
59.01384	23.8
61.98844	2.0
66.38051	0.7
71.01392	7.8
71.05034	4.2
71.61736	1.1
72.02182	10.0
73.02969	1.8
75.00887	2.1
81.07118	0.8
83.01401	1.7
83.05025	1.5
85.02966	2.5
85.06603	5.8
87.00883	2.2
87.04519	0.9
88.98890	0.9
89.02456	3.3
93.03397	0.7
94.56583	0.6
96.96009	1.6
97.06601	8.7
99.04505	0.9
101.02435	3.8
107.05039	1.1
113.02483	1.9
113.06139	3.9
113.09753	2.5
115.07661	1.1
115.10651	0.7
121.06615	1.4
123.08181	22.0
125.02468	0.9
125.06092	1.3
125.09714	1.2
135.63626	0.8
141.09230	63.9
142.09602	1.7
143.10789	1.2
151.11310	1.4
154.70184	0.7
161.04630	1.3
167.07109	1.8
167.10811	1.3
169.12367	6.9
169.54808	0.7
178.67957	0.7
182.40614	0.7
197.15533	3.5
215.22934	1.0
219.21783	0.8
255.19597	1.2
265.21594	1.2
267.23251	1.4
277.21695	0.8
283.22736	6.7
291.18372	0.8
309.20657	1.6
315.25198	3.7
397.33023	0.9
399.31299	1.8
413.32980	2.2
427.34473	1.6
429.35785	7.2
439.34250	1.8
457.35461	100.0
458.35782	11.0
465.23514	1.4
469.18753	1.4
483.33334	11.7
484.33698	1.1
501.27844	1.5
501.34476	10.8
502.34723	1.3
545.33490	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	545.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01844	1.0
53.07489	1.0
57.03446	7.6
59.01384	33.4
60.99299	5.0
61.98843	7.5
69.03442	1.5
70.87632	2.0
70.87980	2.7
71.01382	10.6
71.05011	3.9
72.02172	9.4
72.99289	2.5
73.02937	3.6
75.00877	4.5
85.02953	3.7
85.06577	5.0
85.40845	1.2
87.00884	3.5
87.04551	1.7
88.98814	38.0
89.02448	4.2
89.99150	1.5
91.79003	1.1
92.45921	1.1
95.05024	2.1
96.96012	5.3
97.06605	8.2
99.04530	1.4
99.08161	1.6
99.92567	3.4
101.02436	4.0
109.02964	1.5
111.08160	1.5
113.02428	3.3
113.06100	5.8
115.92072	3.8
116.92863	12.7
119.05013	1.4
123.08168	24.5
125.02386	1.3
129.00591	1.1
135.04514	1.7
141.09229	63.4
142.09505	2.3
145.02933	1.5
151.00319	1.4
153.12805	1.3
161.02547	1.8
161.04510	1.6
167.07143	2.1
191.03432	1.9
201.11363	2.5
237.18546	2.3
259.01764	1.2
265.21707	4.2
285.03952	1.9
297.07440	1.8
309.20764	3.1
315.25293	5.7
339.95837	1.3
357.26529	1.2
399.30801	2.2
413.32687	1.9
429.36014	5.6
457.35483	100.0
458.35764	12.0
483.33514	14.5
501.34656	10.1
502.34741	1.5
545.30615	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	545.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.5
56.45094	0.3
57.03439	1.5
58.00589	0.6
59.01386	22.6
60.01732	0.5
60.10351	0.4
61.98843	2.8
69.03483	0.6
69.44858	0.4
69.45844	2.8
70.72393	0.4
71.01393	11.1
72.99329	0.8
73.02962	3.0
75.00890	0.6
75.55753	0.4
81.03428	0.4
83.01413	2.0
83.05041	0.4
85.02952	5.2
87.00867	1.6
87.46507	0.4
88.29754	0.4
89.02456	7.6
95.01405	1.2
95.05028	0.5
96.96001	0.6
97.02969	0.7
97.06586	1.3
98.19860	0.8
99.00916	0.7
101.02449	10.9
101.15736	0.4
111.08165	4.3
113.02460	5.5
113.09714	1.7
115.07668	0.9
116.92858	0.4
118.80822	0.5
119.03496	2.2
119.05033	1.4
125.02467	0.9
127.07713	0.4
137.09767	0.6
138.09215	0.5
141.09241	1.7
143.03525	0.9
145.02948	0.6
151.11345	0.7
159.04492	1.1
161.02446	0.7
161.04570	4.3
163.11363	0.5
165.12837	2.0
167.14389	1.3
169.12354	1.7
172.97163	0.4
179.05621	1.2
181.12329	2.9
183.13884	1.1
191.05530	0.5
193.12428	1.2
193.16005	0.5
195.13927	1.8
197.11852	18.6
198.12178	0.5
199.13409	1.7
211.13332	3.5
213.14085	0.7
221.15509	1.3
227.12846	0.4
235.08101	0.5
239.11781	0.7
247.20671	2.7
253.09300	30.6
254.09602	1.3
263.20212	1.0
265.18164	0.9
265.21619	0.6
273.18607	2.2
281.21173	1.2
291.19690	30.9
292.19971	2.4
309.20731	100.0
310.21072	6.2
312.83273	0.5
341.26892	0.8
359.95361	0.5
362.18784	2.1
380.19836	0.6
430.06171	0.5
457.35605	2.0
459.33395	0.6
476.22824	0.5
485.31110	1.1
503.32529	1.2
528.12427	0.5
545.34198	10.6
546.33813	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36636	0.6
55.01870	0.8
57.03442	1.2
58.00589	0.8
59.01387	20.9
61.98829	3.9
69.03432	1.0
69.29910	5.8
71.01383	8.7
72.99310	0.8
73.02953	3.0
75.00869	1.4
78.16932	0.6
83.01386	1.5
83.05018	0.7
85.02947	2.8
87.00887	2.4
89.02457	7.7
95.01383	0.8
95.05072	1.0
96.96022	0.8
97.02924	1.2
97.06602	0.9
99.00927	0.7
101.02455	8.8
109.02966	0.7
109.06606	0.8
111.08154	2.2
113.02464	5.7
116.92831	1.5
119.03502	2.4
123.04505	0.9
123.08173	0.8
125.09730	1.8
128.70280	0.7
130.30374	0.6
141.52992	0.7
143.03503	0.8
145.02956	0.7
153.12889	0.7
161.02448	1.2
161.04599	3.9
163.11324	2.8
165.12848	5.3
165.79700	0.6
166.09863	0.7
169.12386	0.9
171.10278	2.1
179.05658	1.7
179.14409	2.1
181.12334	1.5
185.11896	0.9
193.16005	2.1
197.11829	9.1
207.10258	0.8
209.11852	2.1
211.13420	1.0
223.13359	2.8
247.20689	6.4
249.14987	2.7
253.09300	30.3
272.11194	0.7
273.18619	2.7
291.19690	75.5
292.20041	5.4
309.20734	100.0
310.21063	6.2
457.35385	1.0
483.32901	1.2
545.33582	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	545.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17671	0.8
59.01375	2.8
61.98840	2.2
68.07054	0.9
68.36292	0.8
71.60831	0.8
78.68062	0.8
109.02917	1.7
115.05549	1.7
121.02975	0.9
129.40868	0.8
130.04225	3.8
131.05028	5.8
133.02946	1.4
134.03726	1.0
135.04533	24.3
135.87117	0.8
138.14015	0.8
141.03445	2.9
142.40138	0.9
146.03607	0.9
158.03711	3.3
159.04526	93.9
160.04854	3.8
161.02458	2.5
172.05330	1.1
181.15988	10.0
185.06128	0.9
201.05525	2.5
203.03529	8.1
205.16100	1.1
214.06406	0.9
223.17030	11.2
225.14943	2.0
247.16974	1.6
305.43738	1.0
365.21198	1.9
367.19052	5.5
381.20767	1.0
385.20129	3.3
388.22827	0.9
409.20203	12.2
410.20505	1.4
427.21399	9.3
428.21695	1.2
453.19318	2.1
459.23834	3.2
482.27032	1.7
501.25085	6.2
545.23938	100.0
546.24316	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	545.297
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79972	0.6
57.03444	1.5
59.01382	20.3
61.98830	2.2
66.09932	0.6
66.60629	0.6
71.01385	9.6
71.22513	0.6
71.41947	1.0
72.99297	0.9
73.02952	2.7
80.09509	0.5
83.01399	1.9
85.02969	4.0
87.00887	1.2
89.02448	9.9
97.06579	1.5
99.00890	0.7
101.02448	10.6
110.22544	0.6
111.08161	0.9
113.02435	5.9
113.09738	1.2
115.07630	0.8
115.14502	0.6
115.32559	0.5
119.03517	3.0
121.24252	0.6
125.02427	0.7
125.06120	0.7
133.02882	0.6
141.09224	1.2
143.03470	0.7
161.04547	4.7
165.12843	2.4
167.14424	1.2
177.01942	6.3
179.05576	1.5
181.12399	3.0
193.12299	1.3
195.13934	2.2
211.13414	2.5
221.15465	2.6
240.13980	0.7
247.20706	3.4
253.09288	30.8
254.09622	1.2
265.21759	0.9
273.18640	2.2
281.21140	1.2
291.19653	32.1
292.19922	2.8
309.20728	100.0
310.21097	6.0
346.74896	0.8
485.31369	1.1
545.29376	11.9
546.29724	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.3
58.00578	0.9
58.29773	0.6
59.01382	19.3
70.48946	0.5
71.01386	9.4
71.05034	0.8
71.60867	0.6
71.61219	0.7
72.02151	0.7
72.99299	1.1
73.02937	2.1
75.00876	2.8
76.26612	0.6
83.01393	1.0
83.05022	1.9
85.02937	2.3
85.06566	0.9
87.00884	38.2
88.98831	1.2
89.02448	6.2
89.74065	0.6
95.01411	0.9
96.96019	2.7
97.06566	2.1
99.04485	0.9
101.02442	7.0
109.02952	0.9
109.06614	3.3
111.04511	2.7
111.08167	1.4
112.01653	1.7
113.02451	7.2
113.06074	3.9
115.07622	0.7
119.03501	4.3
119.04936	1.4
123.04493	0.9
123.08181	3.9
125.02451	4.5
125.06077	1.8
125.09705	2.2
127.04029	0.9
127.07631	0.7
127.11204	0.8
131.03516	0.9
135.08160	2.5
138.06842	1.6
141.09238	4.4
141.81485	0.6
143.03511	0.7
145.02936	1.2
151.00322	0.7
151.11282	2.4
153.09232	7.8
159.27522	0.6
161.02417	1.6
161.04597	3.0
169.12354	10.8
171.10301	3.5
179.05652	0.8
181.12331	1.7
187.03949	0.6
187.09834	1.3
191.14415	0.6
201.11125	0.6
207.17535	0.7
217.10808	19.1
218.11201	1.1
223.17050	3.8
227.03465	2.5
233.18973	1.8
235.17004	2.8
251.16562	2.2
251.20200	0.9
253.18166	1.3
255.02939	4.5
256.03601	0.7
259.16980	1.4
266.68530	0.6
277.18088	9.0
278.15686	0.6
279.15909	3.8
284.03259	4.9
285.03992	6.6
295.15585	8.8
295.19122	100.0
296.16394	0.9
296.19412	5.1
297.17038	6.0
309.17291	0.8
309.20770	2.2
313.16577	2.8
319.19016	0.8
321.17075	11.9
337.20166	3.9
339.18127	27.0
340.18411	1.7
345.22980	0.8
381.19165	1.6
397.22284	1.2
415.22864	0.7
417.24820	1.3
447.09073	0.7
457.24777	0.8
483.29742	1.5
501.23425	15.8
501.30533	2.3
502.23645	1.9
527.28491	8.8
528.29022	0.8
545.09399	5.9
545.29749	10.9
546.30646	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2396
Annotation	[2'S,3S,3'R,7'R(R)]-7'-Deoxo-2'-deoxy-2',3'-epoxy-3-hydroxy-7'-(1-hydroxyethyl)verrucarin A
Peak:m/z	Relative Intensity
50.23029	0.9
59.01375	4.6
61.98827	2.1
62.92103	1.0
63.05719	1.0
70.48293	1.1
71.53193	1.7
74.90286	0.9
96.96010	1.6
109.02955	1.3
110.78281	1.0
130.04247	3.8
131.05014	7.1
134.03735	1.2
135.04539	23.8
141.03439	2.1
158.03731	3.8
159.04533	96.6
160.02370	1.1
160.04858	5.3
161.02435	2.5
172.05217	1.1
181.16025	8.8
200.04706	1.0
201.05569	2.1
203.03539	11.0
213.05562	1.2
223.17072	11.1
225.14874	1.4
330.38058	1.1
365.21143	2.9
367.19177	4.1
385.20245	2.3
409.20175	11.9
427.21326	9.2
459.23734	2.5
471.20258	1.7
501.24960	6.3
545.23944	100.0
546.24438	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	545.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.3
59.01388	18.5
69.53438	6.3
71.01382	10.4
72.99290	1.6
73.02959	1.4
75.00893	3.3
77.97847	1.0
83.05052	2.0
85.02972	2.8
87.00881	39.5
89.02453	8.6
93.00873	1.1
96.96024	3.9
97.06606	2.5
101.02456	6.8
107.05070	1.0
109.06598	4.7
111.04543	2.9
111.08196	1.3
112.01675	1.1
113.02472	9.5
113.06110	3.3
115.07679	1.3
119.03509	3.3
123.08181	4.7
125.02464	2.9
125.06085	2.6
125.09763	1.6
127.11298	1.2
135.08174	3.5
138.06874	2.1
141.09245	4.3
145.03000	1.4
151.11221	1.6
153.09241	6.7
161.04585	2.8
169.12370	9.5
171.10214	4.8
181.12347	1.1
207.17474	1.5
217.10806	16.8
221.04805	1.0
223.17029	3.7
235.16968	1.5
238.78104	1.0
251.16399	2.5
255.02995	4.3
259.16934	2.1
277.18103	9.2
278.18414	1.4
279.16016	4.4
284.03256	4.8
285.04041	6.0
295.15607	8.3
295.19119	100.0
296.19446	6.6
297.17084	5.7
309.20779	2.0
313.16858	1.6
321.17108	11.6
337.20273	3.7
339.18134	25.9
340.18472	2.3
501.23456	15.3
501.30542	1.6
509.27188	1.4
527.28821	7.1
541.59406	1.1
545.09406	7.3
545.29639	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	544.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87807	0.4
59.01377	0.4
61.98822	0.6
78.91924	0.4
78.95910	46.0
82.60582	0.3
90.62192	0.3
96.96983	5.6
100.78690	0.3
123.84708	0.3
145.02953	0.9
145.46190	0.3
150.97987	1.5
152.99599	100.0
153.99944	1.2
159.04483	0.5
160.04875	0.4
171.00661	3.8
246.53632	0.3
311.95132	0.3
332.91815	0.5
382.62143	0.4
457.23633	16.5
458.24039	1.4
463.26926	1.0
544.26843	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.0593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04721	0.2
59.01390	1.2
61.98827	0.2
66.21828	0.2
71.01400	0.3
75.00493	0.2
75.00867	1.2
75.37381	0.2
79.95746	3.2
93.03437	0.2
96.96017	100.0
109.02993	0.3
109.96598	0.2
115.45348	0.2
119.05048	0.8
145.03043	0.3
151.00339	0.7
159.65614	0.2
239.10745	0.3
255.02980	0.8
265.08679	0.2
271.02530	1.6
300.02737	3.5
301.03595	2.2
312.15039	0.2
447.09351	4.9
448.09586	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49478	1.8
57.03448	2.4
59.01381	39.6
61.98819	6.9
63.31860	1.9
68.99567	1.8
69.03423	1.6
71.01384	13.9
71.61214	2.1
72.99296	1.9
73.02926	5.7
75.00875	10.9
83.01389	1.9
85.02954	5.3
87.00885	75.0
89.02438	8.5
96.96005	7.7
97.06599	4.5
101.02433	12.1
109.06596	2.3
111.04505	2.3
112.01651	2.1
112.98521	3.1
113.02477	9.6
119.03467	7.5
123.04574	2.3
123.08172	4.5
125.02444	6.9
125.06094	3.5
127.04008	2.0
135.04503	2.7
141.09189	4.5
145.02914	5.1
149.09682	2.2
151.11287	2.6
153.09209	4.5
161.02504	2.3
161.04601	3.6
167.07150	8.1
169.12297	5.8
171.10207	2.7
172.36922	1.9
179.05396	1.8
181.81252	1.9
187.09782	1.8
191.05667	2.6
192.49998	1.7
207.17528	2.4
217.10820	4.5
217.43573	1.8
223.16977	3.5
227.03615	2.1
233.18994	2.1
235.17061	2.7
251.16406	3.0
255.02928	6.9
259.17087	2.0
277.18042	7.5
279.15982	4.1
284.03168	8.7
284.81735	2.0
285.03961	12.5
295.15533	17.5
295.19098	100.0
296.19461	5.7
297.17029	7.6
301.11371	1.8
301.42322	1.9
321.17072	11.5
327.18646	1.9
337.20065	2.7
339.18146	31.1
340.18576	3.0
383.12622	2.1
383.16782	9.4
501.23444	22.0
501.30225	2.0
502.23642	3.0
527.28741	6.4
540.74768	1.9
544.28430	2.0
545.09100	7.1
545.22339	14.1
545.30438	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	543.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
57.03451	1.5
58.00592	1.1
59.01384	100.0
60.01720	1.0
61.01810	0.5
61.98841	1.2
69.03461	0.8
69.64175	1.6
69.64588	0.7
71.01389	19.7
71.05027	0.7
72.99329	1.3
73.02951	6.2
75.00892	1.2
81.03464	0.7
83.01385	3.0
85.02958	8.2
87.00890	3.8
87.04520	3.3
89.02459	9.1
90.82339	0.4
92.88266	0.4
95.01402	1.7
97.02978	0.8
97.06590	0.4
99.00887	2.6
99.04543	0.5
101.02454	14.9
101.06078	2.6
105.29243	0.4
109.02167	0.3
111.00919	0.6
113.02461	12.2
119.03502	4.0
120.68475	0.3
125.02493	1.7
131.03523	0.6
139.07687	0.4
143.03531	2.5
159.03001	0.9
159.51227	0.4
161.04576	7.6
161.05902	0.7
179.05582	2.4
215.18129	1.1
241.01591	0.5
242.02193	0.4
247.17004	0.8
270.01755	0.4
271.02472	0.6
289.18155	1.0
298.01547	0.5
299.02170	1.1
321.24432	0.5
339.25418	3.7
395.93387	0.4
397.09460	0.5
409.22415	1.2
435.27121	0.4
446.08618	1.0
447.27539	0.9
455.33926	0.7
465.28815	1.2
483.29663	15.8
484.30215	1.9
499.32870	0.5
501.30765	11.9
502.31491	1.2
543.15564	2.4
543.32861	2.0
549.37250	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2598
Annotation	[1R-[1R*,2S*(Z),4S*,6R*,8R*(Z),9S*,10S*(Z),11R*]]-1,6-Dimethyl-9-(1-methylethenyl)-7-oxo-5,12-dioxatricyclo[9.1.0.04,6]dodecane-2,8,10-triyl ester 2-methyl-2-butenoic acid
Peak:m/z	Relative Intensity
52.35307	1.4
59.01367	3.2
61.98822	2.9
70.76549	2.8
75.50033	1.5
82.02225	1.5
99.95170	1.6
109.02928	4.0
122.81306	1.6
130.04236	4.4
131.05023	8.9
135.04527	26.2
141.03415	2.5
146.03737	2.9
152.99506	1.9
159.04524	100.0
160.04866	2.4
161.02411	2.6
164.91484	2.1
203.03436	5.9
212.04703	1.8
221.18958	2.3
222.06921	1.9
225.05527	6.6
239.07140	6.8
245.19025	5.3
289.18130	4.4
307.19089	2.0
323.03363	1.6
336.52109	1.8
365.21210	6.7
383.22314	4.0
389.21152	2.4
407.22244	36.7
408.22659	4.7
425.23431	18.6
451.21173	2.7
460.28671	1.6
469.22284	2.6
499.27206	5.2
543.25989	82.9
544.26398	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	543.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55857	0.9
54.60264	1.1
55.01880	1.0
57.03442	2.0
59.01382	58.9
61.98824	4.3
65.30899	0.9
65.68636	1.0
69.03467	1.4
71.01389	29.0
71.05006	1.0
71.61576	1.5
72.02152	1.4
72.99313	1.9
73.02952	37.8
75.00875	2.9
78.95899	1.1
83.01386	10.0
83.05008	1.3
85.02955	3.7
85.06605	1.1
87.00877	2.2
87.04510	1.5
88.50333	1.0
88.98824	1.4
89.02448	1.8
97.02956	2.1
97.06602	1.4
99.00864	2.2
101.02448	23.5
111.04585	1.1
113.02440	7.4
113.06089	5.7
115.74366	1.2
119.03529	1.4
121.06666	1.1
123.08195	3.0
124.91015	0.9
125.02441	4.7
125.09739	1.4
126.06878	1.5
139.07726	1.2
141.09204	3.6
143.03494	2.6
143.44370	1.1
151.11253	4.1
155.03525	2.5
161.04485	1.7
167.10670	1.0
169.12376	9.0
173.08118	1.5
181.12375	1.5
201.11337	1.1
203.05692	2.3
211.13435	1.8
213.19186	1.3
220.89383	1.1
223.16968	4.9
224.03697	1.2
233.19116	2.7
235.17058	1.3
251.20055	1.9
270.01669	1.1
271.19101	1.6
277.18069	8.5
287.18604	1.9
295.19156	100.0
296.19498	5.9
298.01343	1.4
309.20728	12.9
310.21002	1.1
319.19250	2.5
321.16882	1.3
333.19168	2.0
337.20230	17.9
338.20673	2.0
339.18167	6.7
367.21017	2.3
396.08643	1.5
399.76025	1.3
425.32950	2.6
455.33719	1.2
483.29492	1.7
543.15051	5.5
543.35938	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	543.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15688	0.2
55.01862	0.3
57.03446	1.2
58.00590	0.9
59.01382	32.1
60.01718	0.5
61.98823	1.3
69.03443	0.8
69.83763	1.1
71.01387	24.5
71.05019	0.8
72.02167	0.8
72.99304	1.0
73.02950	30.6
74.03294	0.4
75.00866	1.3
77.69638	0.3
81.03479	0.6
83.01392	8.7
85.02962	1.7
85.06604	1.0
86.29153	0.3
87.00879	1.4
89.02450	1.3
95.01388	0.3
95.18893	0.2
97.02958	0.9
97.06587	1.0
99.00872	0.6
99.04513	0.5
101.02448	20.5
109.06600	0.3
111.08153	1.1
113.02444	2.7
113.06088	6.1
115.07633	1.0
119.03506	0.3
121.06595	0.4
123.08174	2.1
125.02432	2.4
125.06091	0.8
125.09736	1.4
126.06850	1.0
127.07665	0.6
131.03514	1.0
139.07674	0.5
143.03503	2.1
145.02911	0.5
149.09752	1.3
151.11290	4.3
152.65173	0.3
153.12817	0.5
155.03502	1.8
161.04559	1.6
163.11281	0.3
165.12892	0.5
167.51563	0.3
167.52956	0.3
169.12349	11.5
171.10281	0.4
181.12364	1.8
182.07478	0.3
183.13934	0.4
191.14377	0.4
193.12402	0.3
203.05585	2.0
207.17508	1.7
211.13422	0.6
217.15941	0.3
223.17021	4.0
233.15363	0.4
233.19044	2.4
235.17105	0.7
237.18605	0.4
251.16434	0.8
251.20258	0.6
253.18102	0.5
257.19238	0.3
259.16928	0.9
265.18051	0.4
267.19766	0.4
267.25626	0.3
273.18521	0.5
275.20157	0.3
277.18079	8.6
278.18289	0.4
283.79919	0.3
291.19678	0.4
295.19135	100.0
296.19467	6.4
305.21481	0.3
307.18878	0.5
309.20712	11.5
310.21109	0.6
319.19122	3.2
321.17093	0.7
337.20203	15.0
338.20514	1.1
339.18210	0.6
349.20380	0.8
367.21341	1.5
379.21103	0.4
454.32843	0.4
455.33078	0.8
458.85999	0.4
483.29877	0.6
499.31973	0.4
501.31207	0.4
525.30463	0.4
543.24701	0.5
543.31659	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15688	0.2
55.01862	0.3
57.03446	1.2
58.00590	0.9
59.01382	32.1
60.01718	0.5
61.98823	1.3
69.03443	0.8
69.83763	1.1
71.01387	24.5
71.05019	0.8
72.02167	0.8
72.99304	1.0
73.02950	30.6
74.03294	0.4
75.00866	1.3
77.69638	0.3
81.03479	0.6
83.01392	8.7
85.02962	1.7
85.06604	1.0
86.29153	0.3
87.00879	1.4
89.02450	1.3
95.01388	0.3
95.18893	0.2
97.02958	0.9
97.06587	1.0
99.00872	0.6
99.04513	0.5
101.02448	20.5
109.06600	0.3
111.08153	1.1
113.02444	2.7
113.06088	6.1
115.07633	1.0
119.03506	0.3
121.06595	0.4
123.08174	2.1
125.02432	2.4
125.06091	0.8
125.09736	1.4
126.06850	1.0
127.07665	0.6
131.03514	1.0
139.07674	0.5
143.03503	2.1
145.02911	0.5
149.09752	1.3
151.11290	4.3
152.65173	0.3
153.12817	0.5
155.03502	1.8
161.04559	1.6
163.11281	0.3
165.12892	0.5
167.51563	0.3
167.52956	0.3
169.12349	11.5
171.10281	0.4
181.12364	1.8
182.07478	0.3
183.13934	0.4
191.14377	0.4
193.12402	0.3
203.05585	2.0
207.17508	1.7
211.13422	0.6
217.15941	0.3
223.17021	4.0
233.15363	0.4
233.19044	2.4
235.17105	0.7
237.18605	0.4
251.16434	0.8
251.20258	0.6
253.18102	0.5
257.19238	0.3
259.16928	0.9
265.18051	0.4
267.19766	0.4
267.25626	0.3
273.18521	0.5
275.20157	0.3
277.18079	8.6
278.18289	0.4
283.79919	0.3
291.19678	0.4
295.19135	100.0
296.19467	6.4
305.21481	0.3
307.18878	0.5
309.20712	11.5
310.21109	0.6
319.19122	3.2
321.17093	0.7
337.20203	15.0
338.20514	1.1
339.18210	0.6
349.20380	0.8
367.21341	1.5
379.21103	0.4
454.32843	0.4
455.33078	0.8
458.85999	0.4
483.29877	0.6
499.31973	0.4
501.31207	0.4
525.30463	0.4
543.24701	0.5
543.31659	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	2.3
59.01384	58.0
69.03443	2.3
70.92174	3.7
70.92537	1.9
71.01388	25.6
72.99307	4.1
73.02948	19.2
74.09073	1.4
75.00877	12.0
81.03452	1.8
83.01373	2.9
85.02965	11.9
87.00889	11.5
87.04516	4.3
88.22318	1.6
89.02444	21.7
93.03449	6.3
95.05039	2.2
97.02928	2.0
99.00872	2.2
101.01873	2.7
101.02459	28.7
103.04013	11.7
103.34493	1.9
109.02937	1.6
113.02425	6.4
115.03999	7.3
117.03490	10.5
119.03490	13.1
121.02986	2.0
125.02440	2.2
131.03476	8.7
133.02927	2.4
134.03609	1.9
135.04517	6.7
137.02422	1.7
139.35043	1.5
143.03528	12.5
145.02975	26.5
145.05020	3.9
146.03363	2.1
159.04556	2.4
161.02444	10.7
162.02641	1.6
163.04002	2.6
163.06142	48.2
163.07536	3.2
175.07645	1.7
177.09219	2.5
186.53838	1.9
187.03944	1.8
189.05554	2.0
191.07150	100.0
192.07465	4.6
205.07152	21.8
205.08737	4.4
217.05052	37.4
218.05415	2.5
233.08189	6.8
235.06126	19.4
247.08241	26.1
253.60933	1.8
277.07199	10.5
307.10229	2.5
325.11234	1.9
337.09155	1.8
379.13824	3.3
381.11844	4.1
423.12961	18.4
543.17212	94.3
544.17499	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	542.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
69.74159	5.4
69.74593	4.6
70.42667	1.3
73.47849	1.5
74.71280	1.4
86.99588	1.6
133.02977	10.4
135.04500	5.9
161.02472	44.6
162.02795	1.9
179.03593	2.0
204.07166	1.5
204.25777	1.4
229.35478	1.6
243.19685	2.7
293.26697	1.6
319.22794	3.0
372.67856	1.7
387.21841	20.9
388.21844	2.0
405.22916	4.9
479.26532	57.5
480.26794	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	542.261
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98520	5.5
61.98835	100.0
85.62827	2.9
86.57487	2.8
94.79565	2.5
97.43670	2.5
124.55708	2.9
135.04510	5.7
156.38298	3.4
159.04512	9.1
159.37447	2.9
205.80824	2.8
250.42502	2.7
261.30481	2.7
407.22211	5.2
411.95074	3.1
450.57156	3.0
469.84134	3.4
543.25989	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	543.136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78448	1.4
59.01380	3.6
61.98851	2.2
68.12898	1.4
71.01392	3.1
71.60224	1.7
75.00900	4.4
75.22909	1.3
85.13306	1.3
89.07173	1.3
93.03487	6.5
96.96030	2.6
107.39540	1.3
108.02189	1.5
109.02974	1.6
111.00895	4.7
113.02469	1.4
119.05033	14.5
121.06643	1.3
132.05814	5.4
133.02982	2.2
133.06599	13.5
134.58604	1.3
135.04494	2.1
145.03003	4.0
145.06595	2.4
147.04541	2.4
149.06105	6.7
159.04547	2.7
160.05154	1.5
161.02469	2.4
161.06096	100.0
162.06548	3.2
163.04053	3.3
173.06088	7.2
175.04033	3.4
177.05614	1.8
191.07201	10.6
194.04576	1.4
203.06953	1.4
205.05077	30.3
206.05318	1.9
215.07042	1.8
223.06116	2.2
235.06108	1.8
240.01308	1.5
251.09241	5.6
295.08279	49.2
296.08783	2.9
339.06265	1.5
409.11487	3.9
464.46280	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70127	0.2
55.01870	0.2
58.00581	0.2
59.01379	8.1
60.01733	0.2
69.03439	0.3
71.00990	0.4
71.01384	6.3
71.61545	0.3
72.01727	0.2
72.99300	0.5
73.02952	1.5
75.00882	1.0
78.95898	0.5
83.01382	0.9
83.05013	0.3
85.02958	1.5
87.00883	0.9
89.02451	5.1
95.01403	0.5
97.02960	0.2
99.00870	0.3
101.02447	5.8
113.02460	2.4
119.03479	1.2
119.04222	0.2
131.03517	0.3
133.05043	0.5
143.03532	0.6
152.99612	0.5
161.04556	2.1
172.05255	0.2
179.05566	0.7
227.03400	0.5
235.08273	1.0
237.77678	0.2
245.04317	0.7
253.09291	18.9
253.21703	0.2
254.09587	0.7
255.23323	1.7
261.25983	0.5
283.13464	1.0
287.23776	0.3
303.23389	0.3
305.24847	100.0
306.25201	7.7
353.13651	0.3
371.15082	0.3
481.25494	0.3
483.27054	0.4
525.87262	0.3
554.90283	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53129	0.7
61.98835	100.0
69.31738	7.8
74.51786	0.8
78.95911	3.5
82.14625	0.8
83.92105	1.0
119.97636	0.9
129.45903	1.0
133.02959	7.5
134.03725	2.1
134.35576	0.8
135.04578	6.2
137.02501	1.5
152.99585	7.9
161.02455	40.7
162.02831	1.9
243.19627	2.5
264.22897	0.9
319.22711	2.4
387.21835	20.9
388.22052	1.9
399.09866	0.8
405.23041	4.9
469.09250	0.8
479.26523	50.8
480.26886	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	541.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08411	2.1
58.67491	2.2
59.01384	100.0
61.98849	12.3
69.03464	2.2
70.93340	5.8
71.01392	27.4
72.99322	5.2
73.02952	27.8
75.00881	24.7
77.29234	2.2
83.01413	7.8
85.02959	6.3
89.02460	9.0
93.03466	5.4
97.02956	2.3
101.02460	22.7
104.51701	2.3
109.02966	5.5
109.06602	3.7
113.02503	10.2
118.99870	3.6
119.03503	2.5
119.05025	4.6
123.04459	3.3
135.04547	5.3
135.08194	2.3
137.09644	2.2
143.03516	2.4
145.02957	8.0
149.06113	2.5
150.06841	2.8
151.00415	3.9
157.08694	4.3
161.02457	4.3
161.04564	3.6
163.04007	3.1
163.07703	4.4
177.05605	3.5
179.10806	4.9
189.12872	4.9
203.10791	4.4
225.05476	2.9
233.11865	7.3
275.09299	6.5
293.04321	2.5
300.02725	2.9
336.19479	6.5
337.20206	6.3
343.21252	2.8
541.25659	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	541.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	4.2
59.01384	100.0
61.98835	7.5
69.35338	7.3
69.35758	16.5
71.01385	27.5
72.29542	2.5
72.99314	3.0
73.02949	24.0
75.00868	15.5
83.01391	7.1
83.05070	2.3
85.02974	6.1
87.00898	4.1
89.02461	11.4
93.03472	3.3
97.06591	3.0
99.04560	3.2
101.02448	24.6
109.06577	3.5
111.04508	3.2
111.08128	3.1
113.02460	15.7
119.03483	3.8
119.05022	5.7
123.08174	4.5
125.02486	3.6
125.09729	3.6
135.04512	2.5
135.08200	20.0
139.07677	2.8
141.01714	13.3
145.02989	3.3
147.46655	2.2
151.07660	3.9
154.21117	2.7
161.04547	7.2
163.04018	3.3
171.10182	4.0
177.05516	2.6
187.09758	2.4
201.11327	12.7
203.09230	4.0
217.10780	7.0
253.08478	2.9
254.09714	2.6
279.06781	3.1
295.42227	2.5
343.21323	5.7
344.21643	2.3
417.25018	4.1
435.31625	3.1
439.13986	8.6
461.28781	3.6
463.96017	2.3
479.30283	4.3
481.28101	2.8
497.31348	17.2
533.61810	2.6
541.34778	36.9
542.34583	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	541.156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	49.5
61.70845	6.0
69.59472	22.2
69.59902	28.0
70.83197	6.2
71.01395	20.4
73.02946	20.4
75.00870	29.8
76.36858	6.5
85.02972	9.5
92.01547	6.2
101.02452	25.4
103.35161	6.5
119.05037	8.6
135.04529	8.7
147.04529	100.0
150.03197	7.6
161.04758	6.4
161.06071	13.0
165.05550	9.2
182.07231	7.0
183.22932	7.6
189.05699	12.8
283.40387	6.8
313.04108	6.9
313.96429	7.8
326.45349	8.1
349.57498	7.7
371.15274	7.7
421.07855	7.6
475.67490	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	540.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.5
61.98836	100.0
69.42316	2.8
71.01389	1.3
85.02945	0.6
85.06000	0.3
89.02465	1.6
101.02457	1.4
113.02458	0.7
119.03529	0.6
123.35675	0.4
145.02963	0.8
204.08636	0.4
253.09328	4.4
254.09612	1.8
255.84358	0.3
259.24405	0.8
260.24747	1.0
303.23331	8.5
303.26956	0.4
304.23666	17.7
305.23953	0.7
327.53452	0.3
467.32623	0.4
477.28757	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.3
58.61906	0.2
59.01388	1.3
63.00078	0.2
68.99822	0.4
69.34042	1.8
71.01389	1.2
72.99297	1.1
73.02959	0.4
75.00880	1.5
78.99030	0.2
81.03478	0.4
83.01392	5.4
87.00883	0.6
89.02468	0.3
93.03468	0.7
95.01437	0.3
95.05043	0.5
96.96010	1.0
99.00890	5.6
101.02413	0.2
105.07087	0.3
106.04271	0.2
107.05035	0.7
108.02160	0.6
109.02958	10.4
110.03304	0.3
111.00917	0.4
112.31042	0.2
115.00382	3.3
115.01131	0.4
117.01958	0.4
119.05039	1.1
121.03007	1.0
121.06594	3.0
122.03764	0.3
123.00905	0.3
123.04531	0.9
124.01673	0.3
125.02501	0.6
127.00410	0.4
127.04094	0.2
130.04301	0.4
131.05025	0.7
133.02953	3.2
135.04526	3.6
137.02446	0.4
137.06088	0.6
139.00394	0.3
139.04042	0.3
142.99924	0.2
143.05016	0.3
145.02971	3.5
146.03729	0.8
147.04530	5.4
148.01695	0.2
148.05333	4.7
149.06091	100.0
149.17831	0.2
150.03249	1.5
150.06424	3.8
151.04056	0.7
159.04512	1.8
161.02454	9.0
161.06062	1.7
162.03091	0.5
163.04016	5.8
163.07643	0.3
165.05563	5.4
171.04506	0.5
172.05344	0.3
173.02454	0.2
173.06111	0.5
174.03227	2.0
175.04008	17.5
176.04457	0.7
177.01935	9.6
177.05400	1.1
178.02411	0.3
179.03546	0.6
181.05060	0.4
185.06042	0.6
187.03976	2.1
187.07693	0.7
188.04808	1.0
189.02037	0.3
189.05554	2.4
190.02724	0.4
191.03508	2.9
191.07178	0.2
192.04311	1.1
193.05063	15.6
194.05370	0.6
201.05559	0.7
202.02632	0.2
203.03500	0.8
203.07178	1.2
204.04280	0.3
205.05054	1.3
206.02174	2.5
207.06665	0.2
208.03784	0.2
209.04498	1.1
213.05598	0.7
215.03496	1.1
217.05096	0.4
218.02219	0.4
219.02988	38.2
220.03316	1.6
221.04558	0.4
229.05084	1.1
229.93417	0.2
231.02957	0.4
231.06577	2.3
232.03783	0.7
233.04547	9.6
234.04816	0.2
235.06070	0.2
236.03294	0.2
237.04037	49.8
238.04388	1.8
247.06116	0.8
249.07703	0.7
251.05661	0.2
255.05118	1.4
257.04648	0.3
259.02371	0.4
263.05811	0.3
265.07083	0.2
273.04120	0.2
275.05600	3.0
277.03540	9.7
278.03763	0.6
279.05121	0.5
293.06668	4.8
294.06949	0.4
294.54004	0.2
301.03293	0.2
319.04587	11.7
320.04889	0.7
327.94705	0.3
337.05646	34.3
338.06012	2.3
363.07239	0.3
381.08237	1.2
423.09344	7.8
424.09497	0.3
437.10959	0.8
441.10373	10.3
442.10602	0.7
481.09912	3.9
481.22272	0.2
497.12930	0.2
499.10721	0.3
513.12360	0.2
523.10895	4.1
524.11414	0.4
541.12012	5.0
542.11469	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45294	0.2
59.01382	0.6
61.98835	100.0
65.04067	0.2
71.01381	0.4
71.18907	0.5
78.95925	1.4
100.29280	0.3
107.97150	0.3
140.20337	0.3
145.02979	1.2
155.71210	0.3
224.06970	0.7
253.09431	0.4
255.23267	8.0
256.23770	0.5
303.23380	0.8
304.23672	1.6
385.23929	0.4
392.59332	0.3
400.25375	0.3
477.28421	2.0
480.31021	5.5
487.21185	0.3
567.44318	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61848	0.1
54.64490	0.1
55.01883	0.3
57.03457	0.3
58.00583	0.4
59.01383	16.6
60.01683	0.2
61.98835	4.5
69.03479	0.2
69.31355	1.4
71.01388	7.6
72.99314	0.4
73.02946	1.3
76.66457	0.2
81.03448	0.2
83.01389	0.8
83.05019	0.3
85.02948	2.0
87.00896	0.9
89.02451	7.7
91.04018	0.2
91.06573	0.2
91.73415	0.1
95.01395	0.8
97.02975	0.4
98.19837	0.3
98.20510	0.5
99.00897	0.3
101.02451	7.7
101.94919	0.1
113.02459	3.6
119.03505	1.9
121.10229	0.2
127.07709	0.1
127.11310	0.2
128.96036	0.1
131.03448	0.3
133.05109	0.2
143.03490	0.6
152.00626	0.1
161.04573	3.0
179.05627	1.1
196.56181	0.1
197.05630	0.2
205.19679	1.3
231.21242	0.2
235.08212	0.8
253.09296	25.6
254.09656	0.7
259.21542	0.3
259.24304	6.5
260.24609	0.6
273.22104	0.2
285.22247	0.9
303.23294	100.0
304.23639	7.5
409.37897	0.1
458.44830	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.4
57.03446	0.4
58.00602	0.4
59.01384	15.4
60.01735	0.2
60.08564	0.2
61.98835	4.5
67.70471	0.1
69.03455	0.4
71.01387	7.2
72.99314	0.3
73.02960	1.2
75.00867	0.4
78.95916	0.4
81.03460	0.2
83.01394	0.9
83.05035	0.4
85.02951	1.6
87.00887	1.0
89.02453	6.1
89.37669	0.2
89.47423	0.2
90.02823	0.2
91.04026	0.4
91.89185	0.2
95.01383	0.4
97.02968	0.3
99.00859	0.2
101.02451	7.3
113.02466	3.2
119.03509	1.6
131.03455	0.2
133.05034	0.3
143.03485	0.6
149.04523	0.2
152.99612	0.5
154.76219	0.2
155.91940	0.2
161.04565	2.8
166.33905	0.1
179.05624	1.0
205.19658	1.0
231.21175	0.2
235.08299	0.9
245.04413	0.4
253.09299	22.0
254.09647	1.0
259.24335	5.7
260.24609	0.4
273.22318	0.2
285.22226	0.6
303.23300	100.0
304.23639	8.8
481.25369	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	44.3
61.98834	100.0
64.87238	0.8
65.62350	0.8
71.01394	8.1
71.62772	0.7
72.55361	0.7
73.02946	3.1
74.46207	0.9
75.00867	10.7
78.55889	0.8
78.95908	1.8
80.91685	0.9
81.29529	0.9
83.01392	1.0
85.02956	3.5
89.02422	1.8
96.96012	1.0
99.00890	1.8
101.02441	8.5
102.02737	0.8
109.02963	1.1
113.02458	2.7
119.03528	1.2
119.05019	2.3
126.93964	0.9
135.04559	4.8
142.06709	1.2
142.99899	1.0
145.02994	5.1
151.00359	0.9
161.02449	5.4
161.04559	2.7
163.04016	1.1
166.99263	0.8
221.04457	1.4
229.06133	1.7
279.03061	0.8
346.05249	1.1
365.11426	1.8
371.20782	2.5
387.16821	1.0
389.21857	7.6
390.21756	1.2
431.22873	7.1
445.51797	0.8
494.47211	0.9
538.23401	2.6
538.29541	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	538.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	27.8
61.98833	100.0
69.85009	0.9
69.85420	2.1
71.01388	8.1
73.02953	11.3
74.51774	0.5
75.00878	1.6
83.01385	3.6
85.02956	1.1
87.00900	0.6
89.02447	2.8
101.02453	13.4
113.02467	4.0
119.03506	1.5
131.03548	1.1
135.04573	0.9
143.03531	2.4
145.02956	0.7
145.71469	0.6
149.04570	3.5
161.04573	5.9
203.05634	0.8
221.06699	2.2
278.56552	0.6
299.88818	0.5
335.32629	0.5
371.20364	0.7
395.79303	0.5
431.23007	0.7
440.34509	0.6
449.46866	0.6
538.29456	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.6
61.98833	100.0
69.32010	3.3
71.01397	1.0
73.02956	0.6
75.00874	1.6
85.02939	0.5
86.27348	0.3
87.00880	0.5
88.98824	0.6
89.02446	0.5
95.61498	0.3
101.02486	1.1
107.05058	0.5
109.02934	0.3
109.06586	0.4
113.02430	0.7
119.05029	0.4
125.02464	0.5
125.09740	0.4
134.98378	0.3
135.04533	0.7
145.02913	0.7
150.03355	0.3
161.02518	0.9
163.04097	0.7
175.33028	0.3
201.11353	0.8
217.10976	0.7
218.11153	0.5
305.17648	0.4
333.17004	0.7
394.64661	0.4
479.32098	0.4
537.31879	0.6
538.31824	1.3
539.21454	0.5
539.29138	0.4
552.97382	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	11.9
60.01718	0.7
61.98835	100.0
65.81545	0.6
69.94032	3.4
71.01390	3.6
71.59119	0.6
73.02966	1.2
75.00889	3.1
83.01376	0.7
85.02959	2.3
89.02453	0.9
101.02433	2.4
113.02451	1.9
119.05000	0.9
142.16620	0.7
145.02927	0.8
161.04579	0.6
184.05319	1.4
211.03996	30.6
212.04773	8.8
227.07152	91.1
228.07494	6.6
279.03333	0.7
349.14633	1.3
375.12427	0.8
421.97940	0.6
437.13162	0.6
453.23431	0.8
496.24780	1.0
537.32709	0.9
538.26935	0.9
539.28094	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	40.6
61.35913	0.5
61.98835	100.0
63.06097	0.4
68.91312	0.6
69.58915	3.6
71.01392	2.5
75.00873	0.6
89.02448	0.9
93.44250	0.6
93.64977	0.5
101.02464	1.3
103.71602	0.5
113.02463	1.2
118.78623	0.5
161.02580	0.5
200.27768	0.7
206.47351	0.5
214.36826	0.5
389.22015	2.1
431.22885	7.8
454.86621	0.5
505.93051	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.5
56.06727	0.2
57.03451	0.4
58.00605	0.4
59.01383	17.1
62.60696	0.2
64.92478	0.2
65.27214	0.2
69.03462	0.4
69.34614	2.0
71.01387	7.5
72.99297	0.3
73.02951	1.6
83.01407	0.9
83.05033	0.5
85.02959	2.2
87.00872	1.1
89.02449	8.3
89.03001	0.5
91.04002	0.4
95.01427	0.6
95.33484	0.2
98.20655	0.4
99.00897	0.3
101.02447	7.8
113.02461	3.9
119.03513	2.1
125.02478	0.3
131.03427	0.3
133.05011	0.2
135.11842	0.6
143.03517	0.6
149.13354	0.5
161.04591	3.4
163.14908	0.4
179.05643	1.4
202.39594	0.2
203.18056	2.0
220.11813	0.2
223.16920	0.3
229.19684	0.3
235.08212	0.9
253.09293	30.0
254.09648	0.8
257.22742	12.3
258.23087	0.9
271.20648	0.5
283.20685	1.2
299.20148	0.3
301.21725	100.0
302.22064	8.1
444.83163	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2909
Annotation	Platanionoside D
Peak:m/z	Relative Intensity
51.24684	0.2
51.73629	0.3
55.01645	0.3
55.01885	3.7
55.28632	0.2
57.03451	2.7
58.00583	1.0
59.01383	18.6
59.73067	0.3
60.01703	0.4
61.98834	2.1
63.49494	0.3
67.01872	0.4
68.99821	0.4
69.03446	0.7
71.01386	33.0
71.61728	0.4
72.01703	0.4
72.99317	1.4
73.02950	12.1
75.00881	2.3
77.04166	0.3
77.95076	0.3
81.03505	0.3
83.01392	6.9
84.02171	0.4
85.02953	18.0
86.00089	1.2
87.00874	2.2
89.02448	5.2
91.48651	0.3
93.03455	0.4
95.01392	2.7
96.96006	0.3
97.02947	0.9
99.00883	5.3
101.02446	27.0
102.02739	0.7
109.02955	0.6
111.00875	2.8
113.02455	14.1
114.02802	0.4
119.03499	1.4
119.05006	0.5
125.02410	1.1
129.01897	1.1
131.03514	0.3
135.04572	0.5
141.01857	0.3
143.03557	1.4
145.02921	0.6
150.03214	0.3
159.02986	3.3
161.04561	8.7
165.05519	0.5
177.01892	0.6
179.05609	0.3
275.27811	0.3
281.04556	0.8
281.07480	0.3
375.19086	0.4
375.23853	7.4
375.28415	0.5
376.24094	0.7
398.20676	0.3
482.09528	0.3
537.29156	100.0
538.29486	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	537.3073
Annotation	Integristerone A 25-acetate
Peak:m/z	Relative Intensity
54.34928	0.5
57.03445	2.7
58.00611	0.7
58.45711	0.5
59.01137	0.6
59.01388	6.9
61.98827	0.8
71.01385	1.0
71.05018	0.5
71.19650	1.0
73.02950	1.1
74.66111	0.5
75.00877	2.3
78.82227	0.5
81.03439	0.5
83.05025	2.7
87.00890	2.5
87.04539	1.0
88.98786	0.5
91.05517	1.0
93.03484	1.4
95.05038	1.1
97.06597	4.3
99.04536	2.9
101.06084	0.5
107.05009	0.8
109.06598	16.9
111.04534	4.2
111.08187	1.4
113.09718	0.7
120.05797	0.6
121.06585	0.7
123.08178	8.2
125.06081	1.9
125.09725	2.2
127.07656	1.4
133.06541	0.5
135.08176	17.2
136.08466	0.6
137.06070	0.9
138.06886	7.8
138.55690	0.6
139.07689	1.0
141.09206	2.4
145.03017	0.6
149.06099	1.6
150.06885	6.9
151.07642	1.0
153.09227	36.6
154.09570	1.1
157.08701	2.5
162.06874	12.2
163.07645	4.0
164.08420	1.2
176.08455	1.0
177.09236	4.9
179.10789	2.1
187.09773	4.9
199.09590	0.5
215.09198	2.5
217.10823	100.0
218.11093	3.7
241.09622	0.5
244.88882	0.5
263.82053	0.6
320.20139	0.6
337.20432	1.1
341.19690	5.6
359.20673	2.9
449.29099	6.3
450.29550	1.0
493.31894	4.5
501.28415	4.7
502.28836	0.6
519.29718	14.7
520.30304	1.7
537.30756	65.1
538.31097	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	537.2702
Annotation	Ajubractin D
Peak:m/z	Relative Intensity
55.01886	1.0
57.03455	1.1
59.01383	23.3
59.30908	0.6
61.98837	3.8
65.26861	0.6
68.99823	0.6
69.84583	3.1
71.01378	10.5
72.99323	1.0
73.02954	4.0
73.06445	0.6
75.00886	2.2
75.76523	0.6
83.01395	2.6
83.05049	0.9
85.02954	5.2
87.00876	1.1
87.04538	0.8
89.02448	3.8
93.03462	33.7
95.01382	1.5
98.19839	0.6
99.00910	1.0
101.02439	7.2
108.02154	1.0
109.06583	0.6
113.02472	2.7
119.03519	1.5
121.02954	1.8
122.03732	0.7
123.04714	0.6
131.05045	0.6
131.38107	0.7
135.08154	1.1
136.01700	1.9
137.02451	88.0
138.02785	2.0
143.03479	0.8
151.11247	0.7
161.04582	0.7
179.03528	2.2
191.03494	0.9
217.10817	1.1
219.66997	0.6
221.04512	1.6
225.17801	0.6
239.05580	1.5
281.06512	1.3
333.17053	1.1
333.20703	0.7
343.52625	0.6
357.21234	0.6
375.07095	0.6
449.28986	1.3
465.28625	1.0
475.26703	1.3
493.28009	0.9
537.26965	100.0
538.27325	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	537.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.1
61.68027	0.7
61.98833	1.8
70.49271	0.7
71.01357	0.8
71.60963	0.9
75.00885	2.8
89.02480	1.2
90.95584	0.7
92.05093	0.7
107.52421	0.7
108.02143	1.3
109.02961	15.6
121.02985	2.0
123.00901	2.0
123.04481	1.2
130.84753	0.7
133.02922	1.2
135.04521	4.5
136.01657	9.1
137.02438	0.9
143.05014	1.9
145.02988	3.7
146.03758	4.0
147.04510	1.7
149.02425	0.7
151.04019	10.7
152.04346	1.0
158.03694	1.0
159.04507	1.8
160.05305	1.4
161.02432	1.6
161.06059	2.9
167.03517	0.7
170.12801	0.7
172.05287	2.0
175.04019	7.4
176.04776	3.4
177.01903	1.5
177.05354	0.9
179.03442	1.1
189.05574	5.3
190.06352	6.6
191.07155	8.2
223.07706	1.2
239.07094	1.0
243.07625	0.8
250.06444	1.1
251.07147	3.5
261.05682	1.6
262.06454	1.0
266.05872	1.7
267.06619	13.9
268.07098	1.3
271.09891	1.0
278.05869	1.5
279.03589	1.4
279.06616	11.2
280.07016	1.1
282.08978	10.4
293.08316	1.6
294.08997	6.5
295.09634	0.9
297.07803	2.4
297.11285	23.6
298.11691	1.9
309.11252	2.1
312.10028	15.7
313.10406	1.0
315.12479	5.0
327.12381	100.0
328.12656	7.7
339.12515	1.3
345.13434	17.9
346.13834	1.0
357.13480	15.6
358.13742	1.1
375.14529	10.3
376.14932	1.3
449.12689	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.199
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10118	0.4
59.01384	32.2
61.98834	100.0
69.16711	0.3
69.49566	2.0
69.49979	0.8
71.01391	2.2
72.99267	0.3
73.02956	1.0
75.00884	2.1
80.44572	0.4
82.49062	0.4
85.02974	0.6
87.00916	0.4
89.02442	2.0
93.03461	0.5
95.27514	0.4
101.02425	1.8
109.02971	0.8
113.02468	1.0
119.03497	0.4
119.05031	0.5
133.03064	0.4
135.04510	0.5
145.02994	1.1
151.04070	0.4
161.02440	1.6
161.04549	0.9
189.12833	0.7
271.06018	0.4
281.04660	2.7
287.16824	0.4
290.11337	0.4
375.15289	0.4
387.20261	1.1
429.21490	1.4
435.10535	0.5
503.30554	0.4
536.25177	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	8.7
60.99310	15.5
61.98825	13.7
69.70935	9.0
70.96165	1.4
71.01385	2.0
73.02963	2.1
75.00867	4.5
87.72470	1.4
88.98810	100.0
98.20642	2.8
107.01379	1.5
109.02963	1.9
145.03026	1.4
145.34331	1.4
151.00377	8.3
163.00351	2.2
178.99811	2.7
179.07101	1.8
243.03050	3.4
255.03000	9.2
271.02512	16.6
273.04236	1.4
281.04480	4.7
286.05624	1.6
300.02765	45.3
301.03528	31.1
302.04004	2.4
447.09338	73.5
448.09442	7.0
457.75919	1.6
537.29199	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.3
61.98829	1.1
70.68739	0.9
70.69070	1.1
71.01363	1.0
75.00880	4.4
84.10981	0.6
93.03454	1.1
93.99034	0.7
100.85497	0.5
101.02442	1.6
108.02164	1.2
109.02964	16.1
115.72626	0.7
117.03481	1.7
119.05030	1.8
121.02966	1.8
123.04517	1.6
125.02435	1.0
133.02975	0.7
135.04518	2.0
136.01663	7.0
136.23093	0.6
137.02428	1.1
143.05049	9.0
145.01846	1.1
145.02954	12.6
146.03799	3.5
147.04524	2.9
151.00374	1.6
151.04012	6.8
159.04518	0.8
160.05280	1.3
161.02397	1.0
161.06071	2.4
163.04037	1.4
171.04472	1.6
172.05270	1.9
173.06059	1.7
175.04015	7.8
176.04784	7.0
177.01888	1.0
177.05415	0.8
182.56592	0.7
188.04784	0.7
189.05591	4.6
190.06340	5.0
191.07137	8.3
221.04456	3.3
223.07600	1.7
227.07202	3.7
229.14468	2.0
233.06165	0.9
249.05589	0.9
251.07118	3.1
261.05597	2.3
262.06308	1.8
263.07034	0.9
265.08871	1.0
266.05933	1.5
266.09430	0.9
267.06561	6.6
268.07193	0.9
271.09833	3.7
271.15756	0.8
277.08359	0.7
278.05881	1.3
279.06656	10.2
280.06934	0.8
281.08157	2.6
282.08963	4.3
283.09482	1.1
293.08209	2.3
294.09000	6.4
296.10391	1.5
297.07761	3.3
297.11316	14.0
309.11310	2.0
312.10031	17.0
313.10535	1.0
315.12503	1.5
327.12372	100.0
328.12720	10.0
336.34863	0.6
345.13483	7.8
346.13647	1.1
351.81204	0.7
357.13431	16.5
358.13950	1.4
373.07669	0.8
375.14694	10.6
376.15076	0.8
395.41754	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.4
59.01382	35.5
61.98826	2.7
65.64610	1.7
69.41824	13.1
71.01387	16.3
73.02954	3.4
75.00855	2.1
77.35899	1.5
83.01405	2.0
85.02980	7.2
87.00877	2.7
98.19822	2.6
101.02464	7.1
108.18010	1.5
113.02438	5.5
125.02447	2.3
134.03757	1.8
165.96907	1.7
235.68294	1.8
269.21301	3.2
287.22311	23.0
288.22577	1.9
313.23807	2.4
331.19080	2.4
368.14059	2.1
431.26566	13.3
432.26553	2.3
449.27573	37.9
450.27936	2.4
491.28613	100.0
492.29077	8.5
535.31207	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	536.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97559	0.7
59.01386	3.9
61.98838	0.6
62.55269	0.3
67.46143	0.3
69.73979	2.5
70.76199	0.3
71.01395	2.9
75.00879	0.9
75.62976	0.4
80.05061	1.1
81.96174	0.4
85.02927	1.1
87.00912	0.4
89.02463	4.0
94.81741	0.4
95.75408	0.4
98.19843	0.7
99.78632	0.5
101.02438	1.6
106.06635	85.0
106.23808	0.4
107.06973	2.3
108.01465	0.4
109.03063	0.5
112.45293	0.4
113.02448	1.7
119.03516	1.0
124.04095	0.6
124.07692	42.0
125.08016	0.9
131.03593	0.4
144.68565	0.4
150.04417	0.8
150.05618	13.8
161.04616	0.5
164.07176	1.5
168.06673	100.0
169.07030	3.5
170.58362	0.4
177.01816	0.4
182.08212	1.7
190.67178	0.4
194.04614	2.6
210.07681	1.4
212.05681	2.9
341.10916	0.6
351.85669	0.4
374.10980	3.8
390.04504	0.4
474.16095	2.4
492.17337	4.4
518.15106	3.3
536.16223	55.9
537.16516	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	535.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42445	0.5
59.01384	77.0
60.99317	0.7
61.78458	0.5
71.01385	4.7
73.02951	6.2
75.00867	1.3
83.01401	1.5
85.02964	1.1
95.05028	0.6
97.02982	0.9
98.19734	1.1
101.02448	3.8
107.05060	0.6
113.02473	1.1
137.09732	0.6
143.03543	1.1
146.75389	0.5
149.09721	1.1
150.06870	0.8
220.29749	0.5
229.59782	0.8
241.15971	12.0
244.45300	0.5
253.16025	1.1
253.19716	0.8
257.19144	6.9
258.19489	0.7
259.20676	0.8
267.17661	0.7
269.19116	3.4
271.17111	1.4
277.14325	0.7
281.19159	0.8
283.20731	1.6
285.18777	1.1
287.20233	2.0
288.59137	0.5
299.20206	0.7
301.18079	0.9
303.19772	2.1
306.30801	0.5
309.18585	7.0
311.20325	2.1
313.18393	0.7
327.19644	9.1
328.20117	1.1
331.19159	100.0
332.19482	9.3
334.15417	0.5
355.19247	3.4
357.17123	0.7
373.20209	5.1
374.20557	0.5
375.18292	1.5
385.20084	0.6
410.92194	0.6
415.21445	0.7
419.91437	0.7
475.23093	0.9
535.25562	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40627	45.7
59.01403	70.0
62.60383	43.2
63.32108	53.6
66.65775	55.6
71.61625	77.0
79.12926	48.9
80.72274	47.0
90.80308	49.5
95.73646	49.1
96.96018	75.3
107.06322	51.8
127.51823	47.0
152.09653	53.0
161.02440	81.5
188.51360	54.6
190.27530	46.0
194.71243	66.9
405.46396	48.3
535.29413	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	535.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17041	0.4
53.15865	0.4
55.01891	0.7
57.03448	2.7
59.01382	11.4
59.01838	0.6
61.98823	1.4
62.16561	0.4
62.69785	0.4
65.00327	1.0
67.01888	1.0
68.99826	1.0
69.03451	1.9
70.25141	0.6
70.25537	1.3
71.01389	4.2
72.99291	0.5
73.02939	1.4
75.00890	3.6
78.95886	0.5
81.03456	2.2
83.01388	7.0
83.05052	0.5
85.02959	2.1
87.00867	1.2
89.02451	1.3
91.05515	0.7
93.03459	1.4
95.01387	3.1
95.05041	0.8
96.96011	0.7
96.99303	0.5
97.02992	2.4
98.19926	0.6
99.00885	5.8
99.04500	0.5
101.02438	2.8
107.01417	0.5
107.05036	1.8
109.02922	2.2
111.00885	9.5
113.02460	2.1
119.05055	1.0
123.00862	1.3
123.04528	1.7
124.98807	0.7
125.02460	5.5
127.00378	8.6
133.06589	0.5
135.03006	8.4
135.04553	1.8
137.02446	1.0
139.00346	1.2
141.01971	1.1
142.99889	3.4
146.03671	0.6
147.04549	0.6
149.02403	0.4
151.00327	0.8
151.03970	0.6
153.01932	1.8
159.02991	1.6
159.04445	0.9
161.02461	0.5
166.99799	0.9
167.14407	2.4
169.01398	0.8
171.02959	1.1
187.02478	5.6
189.16512	0.7
191.14389	4.7
197.00967	0.8
207.17551	1.7
209.15448	0.6
215.02016	0.9
225.18633	0.6
231.17537	9.9
232.17784	0.7
233.15474	5.1
241.27515	0.5
243.17451	0.7
245.15646	0.5
245.19119	0.5
249.18616	1.9
251.16408	0.5
252.75227	0.4
257.19061	0.5
267.17429	0.6
271.16803	0.6
273.18610	9.2
274.18909	1.0
275.16516	8.6
276.16693	0.6
277.14374	1.5
283.16953	0.6
285.18658	3.0
287.16522	1.6
293.17615	2.9
299.16476	1.1
301.17905	2.2
302.45572	0.5
303.15854	0.6
311.16452	1.0
313.18069	1.0
317.17572	15.4
318.17917	1.4
319.15488	4.4
327.16031	1.3
329.17593	4.0
330.17804	0.5
345.17130	1.2
347.18436	0.5
355.15475	1.6
357.16959	1.3
361.16565	100.0
362.16934	10.2
373.16736	2.7
387.17917	0.9
389.15475	0.5
399.14310	1.6
428.58350	0.5
449.27579	1.4
463.19589	0.7
473.17783	0.7
475.33170	0.5
489.17731	0.6
491.20038	0.8
491.28574	6.2
492.28729	0.8
507.18643	3.0
508.18964	0.6
517.17169	1.0
535.18250	6.8
535.25623	0.4
535.32660	0.5
536.17920	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	30.2
61.98825	23.1
68.92113	3.2
69.75844	13.8
70.68240	3.0
71.01359	10.0
73.02953	6.1
75.00874	29.7
82.95398	4.3
85.02953	4.6
89.02432	5.3
93.03439	9.9
101.02447	7.3
103.90529	3.8
109.02962	56.6
110.47608	4.0
113.02480	3.6
117.40033	3.1
121.02943	40.1
123.04510	13.1
134.03690	3.3
135.04539	35.8
145.02908	15.6
147.04506	4.6
158.03735	6.3
159.04529	39.8
161.02428	25.4
171.04485	3.0
175.37878	3.1
177.78503	3.8
179.03592	5.1
193.05058	3.3
197.06273	3.5
221.04416	3.9
225.05650	5.7
227.07124	27.5
237.03940	5.6
238.06300	4.6
240.04150	7.6
243.06622	19.3
248.04666	4.1
249.05536	8.7
250.06140	3.9
253.05043	15.1
255.02974	5.1
255.06567	13.1
261.05704	15.4
262.06281	3.9
263.07114	6.5
264.07623	4.6
265.04953	17.2
266.05841	40.1
267.06622	46.2
268.06979	4.5
277.05032	11.8
278.05856	36.4
279.03638	4.1
279.06665	50.8
280.07251	6.6
281.08194	93.4
282.08475	7.2
293.05026	4.8
293.08224	62.2
294.08670	6.2
300.02869	5.9
301.03302	4.8
303.36050	3.2
403.11841	100.0
404.12201	13.0
459.10721	3.8
535.18048	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	535.146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	4.2
61.98826	5.4
69.76212	9.2
71.01373	2.2
72.99313	17.2
75.00882	10.3
79.95747	2.4
80.96532	5.8
89.02506	2.2
93.03461	2.8
99.00869	1.8
101.02446	1.6
106.06650	2.6
107.05023	4.4
109.02962	5.8
109.67785	1.5
118.55202	1.6
119.05035	13.6
121.02982	2.3
125.02421	2.5
128.71173	1.7
135.04536	17.7
137.24222	1.5
143.05067	1.7
145.03006	2.8
147.04550	18.5
159.04623	2.0
161.02492	2.4
163.04012	6.7
168.06636	2.0
175.03992	2.2
177.02010	1.6
179.03494	2.5
187.00729	9.8
191.03510	59.6
192.03836	1.8
209.04564	100.0
210.04889	3.7
214.28162	1.5
215.00256	3.4
227.06995	1.5
238.24701	1.6
243.06610	2.2
258.99167	36.5
259.99579	1.8
269.08270	2.9
285.11267	2.5
307.99307	1.4
325.09290	2.1
361.10587	1.8
535.15448	2.4
536.14886	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	534.183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	19.5
61.98826	1.2
71.01378	4.6
71.61779	2.5
75.00874	17.1
85.02958	2.1
85.89190	1.2
87.00829	1.3
96.96014	1.5
99.00768	1.1
109.02962	18.2
110.03300	4.9
113.02456	1.5
119.05013	1.7
121.03004	3.1
123.03285	3.5
125.02509	1.8
133.02934	1.8
135.04512	4.2
138.05618	100.0
139.05934	2.0
140.07114	1.2
145.02946	3.7
147.03110	1.2
151.00227	1.6
159.04523	4.7
160.04893	2.4
161.02441	6.9
161.04529	1.6
175.03949	2.0
177.01938	9.5
185.02431	5.6
186.02847	2.8
203.03447	2.1
204.03935	1.6
204.93176	1.2
227.07085	1.2
235.81693	1.1
243.06369	1.3
267.06497	1.7
269.08099	2.6
280.03210	1.6
294.05219	2.9
295.06165	8.7
296.06476	18.1
300.02484	1.7
300.10855	8.1
301.11215	1.4
347.93439	1.3
372.08035	1.6
414.14136	10.3
432.15137	31.7
433.15417	1.7
454.08578	1.3
457.11600	1.5
458.11771	13.0
476.13232	1.6
534.13116	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29919	2.8
59.01384	85.9
61.98846	5.3
69.59766	17.6
71.01394	23.7
72.99325	3.3
73.02943	5.8
73.09734	2.7
75.00882	6.4
83.01406	6.0
84.07582	2.9
85.02947	9.8
87.21738	2.6
89.02468	8.8
98.19921	4.8
99.00910	5.1
101.02435	12.6
113.02464	12.1
118.96466	2.2
119.03581	2.5
120.21325	2.4
121.02936	3.2
125.09771	3.8
135.04486	3.8
147.02969	3.1
148.86427	3.0
161.04546	2.7
183.00327	2.6
267.28766	3.1
277.19647	2.7
285.20773	29.8
286.21069	3.2
371.24149	5.5
411.23148	3.0
413.25864	5.6
429.25085	13.7
447.26053	38.9
448.26495	3.2
489.19968	5.0
489.27094	100.0
490.27222	7.5
533.29340	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84646	0.4
57.03455	1.0
57.53417	0.5
58.00593	0.7
59.01384	100.0
60.01704	0.7
61.98839	1.7
70.92870	0.5
70.93190	0.8
71.01385	8.8
72.99308	0.6
73.02966	1.2
75.00880	1.9
78.95938	1.1
79.21181	0.4
83.01410	0.6
85.02959	1.7
87.00872	3.2
89.02451	13.8
89.29527	0.3
96.96011	3.3
96.96989	1.8
101.02456	6.8
109.03026	0.5
109.08467	0.4
113.02464	3.7
116.92828	0.5
119.03516	6.7
120.03899	0.5
125.09763	0.5
131.03548	0.6
135.04541	0.5
143.03534	1.9
145.03006	0.6
145.09825	3.6
159.03113	0.4
161.04590	2.1
164.03535	2.4
179.05608	4.7
191.47522	0.4
201.11336	5.4
235.16985	0.7
284.03531	0.5
285.04156	0.6
329.14032	0.7
364.30417	0.5
371.24881	0.7
371.29208	2.3
427.27051	0.8
445.28394	1.6
463.67407	0.4
473.27863	0.8
515.33374	0.8
533.35840	12.0
534.35236	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	533.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.5
61.61651	0.8
70.95273	2.0
70.95621	1.1
71.01394	2.0
72.98927	1.9
72.99314	26.0
73.41261	1.0
75.00880	2.2
76.63992	0.9
109.03021	1.3
118.91289	0.8
119.05035	7.4
120.65193	0.8
128.93907	0.9
131.05037	0.8
133.06619	1.1
135.04524	3.8
136.23123	0.8
147.04529	33.0
148.04907	0.8
161.06044	1.8
163.03999	5.5
189.33005	0.9
191.03513	83.5
192.03857	2.4
205.05035	2.0
209.04561	82.7
210.04907	3.3
233.04550	4.5
245.49290	0.9
247.06082	1.5
251.05588	6.1
263.05722	1.4
281.06726	11.6
311.07730	1.0
335.07635	4.3
353.08789	26.0
354.09091	1.6
371.09857	12.0
533.15161	100.0
534.15338	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	533.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
69.35497	10.7
71.01391	9.2
73.02953	4.0
75.00864	1.2
82.06109	1.0
83.01411	1.2
85.02959	4.5
85.76097	1.2
87.00897	6.3
87.35169	1.0
89.02447	3.7
99.00894	2.2
101.02480	5.4
103.03629	1.1
111.04503	1.3
113.02460	4.9
123.04510	1.3
125.06098	1.3
161.04536	2.6
299.97827	1.3
315.18085	1.6
371.24466	1.3
402.68414	1.1
429.21219	17.0
430.21881	2.1
447.22372	9.8
489.26526	1.4
533.29474	5.9
534.29907	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03407	0.4
57.03450	1.1
58.00607	0.7
59.01384	100.0
60.01719	0.5
61.98842	0.5
64.91785	0.4
65.78246	0.4
69.48805	2.7
71.01384	10.5
71.01761	0.7
72.99309	0.7
73.02962	1.6
75.00880	3.9
82.09421	0.4
83.01360	0.5
85.02964	1.7
89.02452	16.6
101.02450	6.5
102.99854	0.5
109.06633	0.4
113.02453	3.7
117.03504	0.5
119.03523	7.9
119.05015	0.9
127.25163	0.5
131.03531	0.7
135.04524	1.1
141.09225	2.7
143.03532	1.6
144.41586	0.4
145.02942	2.5
161.02495	0.6
161.04582	2.2
177.05609	0.7
179.05630	4.8
205.05138	0.5
254.96512	0.6
279.03079	1.5
345.23010	0.6
401.25723	1.2
403.27155	0.6
406.61212	0.5
455.07886	1.0
487.32770	1.7
494.41879	0.5
513.30725	2.2
531.27960	2.3
531.32587	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	532.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00581	0.4
59.01382	4.0
61.98839	0.5
63.11946	0.2
68.33453	0.3
69.72930	1.3
69.73345	0.7
70.36404	0.3
71.01389	1.7
73.02953	0.6
75.00872	2.8
83.01382	0.3
85.02956	0.6
85.55144	0.3
87.00878	0.3
88.98817	0.5
89.02472	0.7
101.02465	0.7
104.05082	1.4
106.06634	100.0
107.06957	3.0
108.08179	1.8
109.02985	0.5
113.02461	0.8
118.06621	0.8
119.05042	0.5
120.08173	0.4
120.81848	0.3
130.06647	1.5
131.03671	0.4
132.04591	0.6
138.05597	0.4
145.02956	0.8
146.06139	0.9
150.05612	93.3
151.05954	3.3
161.02483	0.6
161.04539	0.7
164.07166	7.0
174.05562	1.5
175.03918	0.4
176.04324	0.5
192.06691	3.7
193.07159	0.4
194.04590	3.4
213.05533	0.3
222.64337	0.3
223.04059	0.3
224.04536	0.6
225.05334	0.4
232.78053	0.3
236.05656	2.7
251.03404	0.5
252.04124	1.2
253.04781	1.3
270.04730	0.3
279.02997	5.2
280.03394	7.0
280.47937	0.3
281.04144	2.2
282.04987	0.8
323.22498	0.3
326.12366	1.9
356.09988	0.6
370.11426	67.8
371.07434	0.6
371.11737	5.2
371.16098	0.4
412.12558	4.6
428.08609	0.4
430.09988	0.8
456.08078	4.4
457.08328	0.3
472.14941	0.4
532.09918	0.4
532.16876	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.4
59.01383	73.6
60.01729	1.4
61.98840	13.3
69.03457	12.5
71.01386	18.2
71.05028	1.9
71.61955	2.4
72.99318	2.1
73.02960	11.5
75.00880	28.2
75.18282	1.4
76.00432	1.6
80.64548	1.7
83.01407	4.3
83.05032	2.8
85.02952	7.8
87.00867	4.5
87.04558	2.2
89.02448	9.0
93.03476	3.0
96.96030	3.2
97.06583	2.0
99.00856	2.3
101.02445	16.7
113.02461	7.5
117.03504	2.7
119.03558	3.3
119.05033	3.7
121.02916	1.9
125.02429	2.5
131.03500	1.4
131.05009	1.9
135.11841	2.9
137.09718	3.7
145.02979	19.9
147.04501	1.5
153.09230	5.1
159.04471	1.9
161.02477	3.6
161.04558	4.7
163.04018	3.5
173.13327	1.6
175.04106	3.8
191.10716	2.1
191.14450	6.7
203.01434	2.0
203.03503	3.6
207.13844	2.3
211.07802	2.0
213.05612	1.9
217.12340	6.3
221.04355	2.3
221.06305	1.7
221.08156	3.9
235.13400	100.0
236.13699	6.3
253.09290	26.4
279.03000	13.5
279.10260	1.8
280.03699	4.1
281.04547	2.1
293.04568	3.0
303.21817	2.9
309.20679	5.3
327.04990	2.5
327.08630	2.1
327.21683	3.3
351.21924	1.8
369.22821	3.6
455.07690	4.7
471.26389	2.9
487.25269	4.0
489.26874	3.8
531.27734	35.3
532.28296	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	531.2731
Annotation	Hanburin
Peak:m/z	Relative Intensity
59.01381	7.5
61.98819	1.5
70.09712	5.4
75.00877	4.4
78.95904	14.0
89.68945	1.2
95.81137	1.1
98.12923	1.1
108.02172	1.3
109.02943	1.9
119.05064	1.1
126.55441	1.2
140.09007	1.1
142.83577	1.2
145.02939	3.9
152.99588	16.5
158.66086	1.2
171.00650	1.8
174.63681	1.1
191.09085	1.2
203.45694	1.1
205.19577	2.3
211.07634	1.9
227.03197	2.7
245.04332	2.8
259.24258	4.7
279.02924	2.3
303.23297	100.0
304.23651	9.4
343.74429	1.2
531.27307	33.6
532.27448	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42096	1.8
53.01238	1.8
57.03454	3.1
59.01383	73.9
61.98835	8.0
63.45516	1.5
69.03464	12.5
69.38251	3.2
69.38656	12.4
71.01383	18.3
72.99316	2.9
73.02956	8.1
75.00881	25.7
77.17948	1.8
78.95921	2.8
83.01385	3.7
83.05027	2.8
85.02979	5.9
87.00854	2.0
89.02447	9.8
95.05029	4.1
99.00908	2.5
101.02460	14.1
109.06619	2.0
113.02480	8.7
117.03448	3.2
119.03528	2.9
119.05038	6.8
123.08195	1.9
131.01308	1.5
135.04544	2.5
135.11771	1.6
137.09715	2.0
145.02979	19.0
152.99582	2.8
153.09189	4.7
161.02490	3.4
161.04594	4.3
163.03999	2.0
175.04056	2.7
177.05521	1.7
191.14400	8.9
203.03496	2.2
205.10442	1.7
211.07613	1.6
217.12343	5.3
221.04486	2.8
235.13394	100.0
236.13696	5.6
253.05132	1.8
253.09286	23.1
265.08740	1.8
279.03021	13.7
280.03720	3.4
281.04605	2.2
293.04623	4.6
303.21710	2.7
309.20679	3.1
325.23877	2.2
326.04541	2.0
327.05154	1.9
327.21915	3.6
369.22818	2.7
455.07843	6.4
471.22293	3.2
487.24478	2.2
489.27121	3.1
531.27576	34.3
532.28296	5.3
546.02008	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2237
Annotation	Kadcoccilactone J
Peak:m/z	Relative Intensity
61.98822	2.0
65.00320	1.5
66.16151	1.0
66.57125	0.9
71.01379	1.0
71.61742	1.5
75.00874	4.0
91.87328	0.8
92.72532	0.9
109.02963	1.8
123.36816	1.1
123.67110	1.0
125.91700	0.9
130.04301	5.1
131.05043	6.7
133.02893	1.2
134.03674	1.4
135.04527	27.6
141.03447	2.1
145.02919	2.7
146.03732	1.5
158.03712	2.7
159.04526	96.2
160.04826	3.8
161.02428	2.9
167.14421	11.5
175.04031	1.3
197.06001	1.0
201.05585	2.5
203.03464	9.7
209.15495	12.3
211.13348	1.7
213.05472	2.1
228.04375	1.0
229.14371	1.6
233.15471	1.7
249.18604	6.7
251.16647	1.0
253.09213	1.1
279.02905	2.7
341.05899	1.1
351.19763	2.2
353.17789	5.3
353.21671	1.1
371.18765	3.3
395.18634	15.0
396.19089	1.4
413.19757	10.3
414.20157	1.6
445.22345	3.6
455.07507	1.3
487.23288	7.3
488.23318	1.4
498.57367	1.2
531.22351	100.0
532.22675	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	531.224
Annotation	Kadcoccilactone J
Peak:m/z	Relative Intensity
50.81923	0.9
59.01373	2.8
61.98832	1.7
62.22324	0.9
65.49015	0.8
68.22066	0.8
71.60822	0.9
75.00882	5.5
75.48767	0.9
75.88873	0.8
98.20343	1.1
106.47765	0.8
109.02952	2.2
130.04256	2.8
131.05051	7.1
133.02972	1.1
135.04529	25.7
136.04967	1.0
141.03467	2.0
145.02983	4.3
146.03703	1.0
158.03728	3.3
159.04526	95.6
160.04836	3.7
161.02431	3.1
167.14418	10.6
174.24101	0.8
175.04002	1.6
191.14383	0.9
199.04005	1.5
201.05568	2.9
203.03462	9.6
209.15454	12.8
211.07626	2.1
211.13422	3.5
213.05537	2.3
227.03288	1.0
233.15373	1.3
251.16594	1.3
279.02960	3.0
314.28882	1.0
351.19589	2.1
353.17545	4.2
367.19040	1.8
369.20117	1.0
371.18704	3.2
395.18597	13.5
396.18704	1.0
413.19666	8.3
445.22235	2.8
445.30673	1.0
455.07977	1.5
487.23209	8.1
488.23737	1.4
531.22357	100.0
532.22717	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	531.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.8
57.03450	4.5
58.00615	2.0
59.01385	100.0
59.42693	1.7
69.03448	3.3
69.60383	12.1
71.01385	36.0
72.99312	5.7
73.02950	26.2
75.00878	16.1
77.33360	1.8
78.95906	2.8
83.01380	4.6
85.02954	16.3
86.00079	2.3
87.00883	19.7
87.04530	7.2
89.02448	29.8
91.72427	1.6
93.03420	1.8
94.89748	1.8
96.96014	21.5
96.96980	4.0
98.20596	3.3
99.00847	2.3
101.02452	43.6
103.04008	20.3
103.85784	1.7
111.04526	2.4
112.14075	1.9
113.02445	9.6
115.04013	7.4
119.03505	18.0
119.04969	3.7
127.04024	2.8
131.03506	11.1
133.10239	2.2
135.11818	13.8
137.09731	2.2
143.03514	20.6
145.02969	10.4
145.05072	5.6
146.03339	1.6
159.08179	4.5
159.11836	3.4
161.04619	2.6
161.09720	21.8
162.10039	2.0
163.04065	3.6
163.06139	52.5
163.07549	2.6
169.11223	1.7
169.35240	1.8
175.04010	2.3
177.05473	2.1
177.12871	5.8
179.05482	1.9
179.10782	76.0
180.11188	2.9
193.12306	3.0
196.37883	2.0
203.10706	2.9
205.07152	25.9
205.08807	6.0
221.04475	2.4
221.11880	11.6
223.09766	16.2
225.02980	1.7
247.08183	31.4
265.10931	9.3
279.02988	9.7
279.23843	1.9
280.03687	3.8
307.10321	2.5
307.13705	2.3
325.16522	3.6
367.17596	6.1
369.15390	4.0
411.16641	7.6
412.18079	1.8
455.07947	6.4
471.26004	3.2
531.20862	39.2
531.28308	4.4
532.21033	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	531.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	5.8
57.03452	2.2
58.00583	2.7
59.01385	68.6
61.98832	3.2
69.03461	3.2
71.01387	25.6
71.95005	1.1
72.39395	1.0
72.99315	6.1
73.02954	22.7
75.00887	10.4
79.05511	1.2
83.01403	3.8
85.02962	12.4
86.00101	2.0
87.00881	14.1
87.04516	5.3
89.02453	21.8
95.01372	1.7
96.96002	4.8
97.02981	2.4
99.00866	2.4
99.04516	2.4
101.01773	1.8
101.02451	32.3
103.04025	8.9
107.05027	1.7
109.02956	1.6
111.04538	1.2
113.02454	7.9
115.04006	6.9
117.03457	1.5
119.03513	14.5
119.04996	4.0
123.14826	0.9
125.02413	1.5
125.06113	1.0
126.46785	1.0
131.03499	11.6
133.10254	1.5
135.04507	1.1
135.08195	1.2
135.11810	9.0
143.03506	16.5
143.08701	1.8
144.05801	1.1
145.02989	10.4
145.05069	3.4
146.07405	1.2
159.08162	3.0
161.02470	2.4
161.04610	3.0
161.09721	20.6
163.06134	34.0
177.05586	1.9
179.10782	45.7
180.11118	1.6
203.10767	2.7
205.07143	21.1
205.08775	4.5
221.04637	1.6
221.11830	1.4
223.09807	13.3
237.11346	1.1
247.08232	18.2
252.04193	1.7
265.10852	3.3
279.03009	10.8
280.03543	2.0
291.98288	1.4
307.10275	2.9
307.61139	1.4
317.04721	1.2
325.12903	1.8
328.37296	1.1
367.17722	2.4
368.35657	1.0
369.15463	2.9
411.16638	13.3
455.07794	4.7
471.25650	1.5
531.20874	100.0
531.27478	3.6
532.21094	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	531.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82587	1.7
55.01892	4.2
57.03442	2.2
58.00606	3.4
59.01383	100.0
61.98827	3.2
69.03464	2.6
71.01389	39.5
72.99323	6.5
73.02953	32.3
75.00870	21.1
83.01395	4.3
85.02961	18.5
86.00127	3.2
87.00876	22.7
87.04517	10.6
89.02441	29.5
96.96031	2.0
97.02972	3.1
98.20641	4.3
99.00902	2.0
101.02449	51.1
103.04027	14.9
107.05049	2.0
108.20296	1.7
109.02975	3.1
113.02463	14.2
115.04028	11.0
115.92150	2.3
116.92905	3.0
119.03516	19.0
119.05042	7.2
125.02491	2.1
127.04027	3.3
131.03497	18.0
133.02986	1.9
135.04556	4.0
135.11801	8.5
143.03532	22.3
145.02975	15.5
145.05095	6.8
150.51500	1.7
159.08191	6.3
161.02435	1.9
161.04578	4.7
161.09709	18.3
163.04088	2.6
163.06136	51.6
163.07530	2.9
177.05618	2.5
179.10788	84.7
180.11168	3.5
193.12399	3.7
205.07144	35.5
205.08691	2.7
213.05536	2.3
221.04631	1.9
221.11844	5.2
223.09714	17.9
247.08205	21.7
265.10965	4.9
279.02908	15.3
280.03568	4.2
281.04398	1.8
293.04459	1.6
319.06119	2.0
331.02951	1.8
367.17914	3.3
411.16602	9.4
455.07953	8.1
471.26239	2.8
531.20966	65.6
531.28564	11.2
532.21332	7.6
532.28369	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	531.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.6
57.03445	2.6
57.45144	1.1
58.00593	3.7
59.01385	100.0
59.97939	1.2
60.01709	2.0
60.45859	1.2
69.03458	2.5
71.01387	35.5
71.05088	1.3
71.61316	1.6
72.99316	6.4
73.02954	24.3
75.00877	15.1
77.67190	1.2
81.03473	1.9
83.01392	4.6
83.05030	2.0
85.02966	18.1
86.00103	3.3
87.00880	15.3
87.04523	4.6
88.19151	1.1
89.02453	31.1
89.02997	1.9
95.01433	1.5
96.96011	12.9
98.95590	12.6
98.96255	1.6
98.96454	1.7
99.00836	1.4
99.04523	2.5
99.92604	1.6
101.02450	48.1
101.27094	1.3
103.04020	21.8
106.04227	12.0
107.05053	3.8
109.02950	3.2
112.02037	1.1
113.02471	10.8
115.04014	6.7
116.92876	2.1
117.03513	1.8
119.03516	19.6
119.05010	3.9
120.99711	1.3
125.02409	2.7
127.04012	2.8
131.03499	11.3
133.06599	1.4
135.04512	3.9
135.11826	3.2
138.03224	3.1
143.03529	14.2
145.03000	9.8
145.05089	8.9
161.02516	1.3
161.04590	3.3
161.09729	31.8
163.06133	74.5
166.08809	1.7
175.04037	1.9
178.21172	1.2
179.05566	1.4
179.10789	47.3
180.11139	1.3
184.92680	1.5
195.10301	2.1
197.05974	1.7
203.03494	1.6
203.10771	6.2
205.07143	21.7
205.08762	11.0
223.09807	22.0
245.98199	1.6
247.08127	34.4
248.08592	1.2
254.43835	1.2
273.14511	1.2
277.10855	2.0
279.02960	13.7
280.03876	3.5
281.04504	1.7
289.10721	1.2
307.10278	2.0
309.07809	1.8
325.12625	2.0
351.14536	1.3
369.15341	3.5
411.16611	11.5
421.05106	1.4
427.07510	1.4
455.07874	6.3
513.19366	2.7
531.20801	21.5
531.28326	5.6
532.21375	2.7
546.91681	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01098	1.1
59.01383	21.0
61.98835	100.0
64.39053	1.0
69.77552	4.5
71.01366	3.1
71.89107	1.1
72.12132	1.1
73.02944	1.9
75.00879	4.4
78.16365	0.9
78.95900	1.1
83.01393	1.2
89.02461	1.9
98.19903	2.0
101.02439	3.8
108.47755	1.0
109.83979	1.1
113.02485	1.8
117.03445	1.0
119.05034	1.3
130.25900	1.1
132.25641	1.1
134.89487	1.2
135.04486	1.0
145.02933	3.9
145.22000	1.0
149.04541	1.1
150.86313	1.0
155.10069	1.0
161.04497	1.2
253.09109	2.5
276.20230	1.3
279.02789	1.9
293.21237	2.5
294.21524	2.0
360.30603	1.0
455.07959	1.5
472.61801	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53396	0.3
51.72024	0.3
58.47750	0.3
58.64306	0.3
58.92748	0.3
59.01373	0.5
61.32905	0.3
69.49127	1.4
69.49547	0.8
72.49506	0.3
78.95911	17.1
98.20585	0.6
125.73178	0.4
132.45354	0.3
152.99567	2.6
168.04312	2.8
215.31828	0.3
224.06938	7.5
242.08005	1.7
255.23315	100.0
256.23636	6.4
303.23224	0.9
305.24893	0.7
331.04224	0.3
357.68155	0.4
386.20258	0.3
480.30988	61.2
481.31342	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	531.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36741	0.4
56.69380	0.4
59.01361	2.1
60.65915	0.5
71.01395	1.2
72.99300	0.6
75.00883	17.0
76.01187	0.5
93.03456	1.3
95.52357	0.4
106.06600	0.6
109.02962	4.6
117.03468	1.9
118.03633	0.5
119.05048	2.5
121.02940	0.7
123.04600	0.4
133.02953	1.0
135.04503	0.6
137.02425	0.8
145.02969	14.2
147.04538	2.0
149.02504	0.9
157.02962	0.6
158.03716	0.7
159.04468	0.7
161.02467	3.5
163.04019	2.0
167.05022	0.7
169.06531	0.5
173.02438	4.0
174.03224	1.8
175.04022	8.9
177.05574	2.1
179.05060	1.1
183.04454	0.8
185.02472	1.5
185.05959	0.6
195.04515	4.7
196.05226	0.5
197.06013	2.2
201.01907	0.8
203.03526	1.1
207.04494	1.4
210.03221	0.7
211.03986	0.8
211.07664	0.8
213.05586	6.4
221.04492	3.2
223.04019	6.0
223.07623	0.9
224.04753	3.7
225.05487	2.5
226.02814	0.5
233.06252	0.6
235.04018	1.4
237.05664	0.5
239.03519	1.1
239.10953	0.6
241.05080	1.3
248.04907	0.5
250.02753	2.3
251.03505	13.2
252.04263	8.3
253.05052	6.0
261.05615	1.2
263.03552	1.6
263.07098	0.7
264.04175	0.7
265.04996	0.9
265.08679	1.5
269.04578	4.8
277.05035	1.0
278.02350	0.6
279.02994	100.0
280.03653	17.9
281.04504	10.6
282.04883	1.3
289.05011	1.6
291.03235	0.5
291.06711	1.4
293.04620	4.3
301.05109	1.6
303.02969	0.4
304.03821	0.7
305.04504	1.4
306.05130	0.6
307.02637	1.0
307.06155	1.5
309.07855	0.5
317.04626	2.8
319.06192	2.0
333.03976	3.4
337.98105	0.5
341.10266	1.0
345.03934	2.5
351.05145	0.5
363.05991	0.5
367.06119	0.8
385.09216	0.7
391.05853	0.5
394.08783	0.5
409.06821	1.7
411.09021	2.4
413.06628	1.8
419.06158	0.5
421.05576	0.7
427.08228	3.5
429.09830	4.4
430.10269	1.0
437.06522	1.7
455.07730	36.3
456.07974	4.8
473.08893	1.4
531.09161	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.7
58.00579	0.9
59.01099	0.9
59.01388	17.0
61.98829	1.1
71.01385	10.2
71.60867	1.0
71.61228	0.8
72.99327	0.8
73.02960	1.8
75.00890	1.3
79.00952	0.7
83.01393	2.0
83.05029	0.7
85.02956	2.3
87.00880	2.7
89.02455	9.1
90.33813	0.7
95.01418	1.1
96.96004	1.0
98.02864	0.6
101.02442	11.1
104.33149	0.7
106.71170	0.7
113.02460	6.1
119.03527	1.8
119.05037	6.3
125.02509	1.0
131.03516	0.8
135.04544	1.9
143.03529	1.5
145.02931	1.1
159.04556	1.2
161.04526	4.8
179.05644	1.8
190.08708	0.8
195.13882	9.9
223.13420	6.6
228.13722	1.5
231.21259	0.9
245.14384	0.7
253.09308	45.5
254.09625	2.2
256.13132	1.0
275.20163	5.9
291.19720	2.3
292.20129	1.6
293.21255	100.0
294.21539	8.6
353.68018	0.8
393.24402	0.7
394.55902	0.9
492.22433	1.1
529.28210	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	529.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36907	1.2
57.03436	3.6
59.01381	25.0
60.18256	1.2
61.98823	4.2
69.03457	2.1
70.63373	4.1
71.01392	9.1
72.02190	7.7
73.02954	1.9
81.07115	1.4
85.02914	2.4
85.06588	5.1
89.02433	1.4
97.06579	5.0
99.04513	1.4
101.02447	3.5
106.24683	1.5
107.05022	1.8
109.93137	1.3
113.06084	5.3
113.09751	2.3
123.08169	24.6
141.09230	63.2
142.09468	2.0
143.04610	1.3
151.55841	1.4
156.55653	1.4
171.55264	1.4
197.11804	3.8
227.03433	2.1
249.19699	1.3
253.09251	2.2
279.23224	3.0
293.21262	7.8
297.24332	2.7
299.26016	6.1
408.33459	1.6
413.36417	6.3
441.35910	100.0
442.36322	10.3
467.33633	4.8
485.34781	4.1
529.30792	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.7
59.01095	0.5
59.01382	8.5
61.98840	2.0
69.03467	0.3
70.75940	0.6
70.76301	0.8
71.01390	5.7
72.99306	0.6
73.02946	1.2
75.00938	0.3
83.01412	0.7
85.02957	1.9
85.06631	0.5
87.00864	1.0
89.02448	5.9
95.01392	0.3
101.02448	6.7
106.62276	0.3
111.08182	0.4
113.02442	2.8
113.09776	0.4
116.46871	0.3
119.03496	1.5
123.08151	0.5
141.09206	1.1
143.03516	0.9
161.04556	2.6
167.10748	0.4
179.05615	1.2
179.10779	0.4
179.14444	1.1
195.13908	9.2
196.14523	0.7
205.12340	0.7
205.16064	0.4
211.13321	0.6
223.13402	5.2
224.14078	0.4
228.13715	0.9
231.21170	0.4
235.17058	0.5
253.09303	29.8
254.09578	0.7
256.13086	0.9
265.21716	0.4
275.20166	6.8
276.20349	0.4
293.21243	100.0
294.21533	7.3
441.36020	1.7
492.22348	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3021
Annotation	Diheteropeptin
Peak:m/z	Relative Intensity
55.01867	3.7
57.03446	5.0
59.01378	13.3
70.38315	2.1
70.38673	4.6
71.01379	4.1
71.05006	2.0
72.02158	1.6
72.65987	1.4
73.02950	10.5
75.00874	3.1
78.95911	14.3
80.91682	5.3
83.05050	6.9
85.02973	2.2
85.06588	4.1
87.00903	1.4
89.02457	2.0
95.05029	2.4
96.96024	3.2
97.06604	8.3
99.04559	1.6
101.02464	2.9
101.06099	9.3
102.56561	1.5
111.04524	15.8
111.08168	3.6
113.06088	2.9
113.09735	8.4
123.08161	12.6
125.02534	1.8
125.06081	1.9
125.09731	10.5
127.07626	2.3
127.11295	2.9
131.59738	1.6
137.09720	4.1
139.07597	2.0
141.09224	86.6
142.09557	3.0
145.02925	2.0
151.07689	4.5
155.10796	3.8
159.04543	2.5
167.07173	3.2
171.00693	8.0
201.11278	18.1
237.15054	3.2
261.18625	3.0
309.17154	1.6
325.19769	1.6
327.18103	2.0
331.24951	3.3
343.21252	28.5
344.21521	2.7
353.23450	5.7
367.21161	2.3
372.35297	1.7
381.22778	3.0
399.23871	41.4
400.24487	2.1
401.25452	17.7
433.42282	1.8
467.30292	5.7
480.81027	1.5
485.31116	75.7
486.31427	9.4
493.28384	1.8
511.29163	73.0
512.29602	7.8
529.30249	100.0
530.30554	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	529.3023
Annotation	Diheteropeptin
Peak:m/z	Relative Intensity
55.01874	5.0
55.90145	1.2
57.03436	3.3
59.01381	9.4
64.88255	1.1
64.91729	1.0
69.03442	1.2
70.09043	5.4
71.01381	2.7
71.05032	2.2
72.99297	1.2
73.02949	12.5
75.00880	2.6
78.95908	15.0
83.05019	8.5
85.02973	1.6
85.06596	4.2
85.48256	1.1
89.02464	1.2
95.05054	2.2
97.06587	7.7
98.19957	1.7
99.04508	3.4
99.08177	1.7
101.02440	1.3
101.05476	1.7
101.06073	9.6
102.13799	1.1
109.02980	2.0
109.06589	1.2
111.04524	14.0
111.08160	3.9
113.09741	9.3
114.10112	1.0
119.03578	1.0
123.08173	14.8
125.02469	1.4
125.09695	2.3
127.07634	1.9
127.11266	1.9
129.79683	1.2
137.06078	1.2
137.09726	3.7
139.07678	1.7
141.09230	88.6
142.09558	3.7
145.02917	1.8
149.06090	1.1
151.07677	2.6
151.11235	1.0
152.08495	1.5
153.09306	1.3
155.10805	5.2
155.11903	1.0
155.22093	1.0
167.07130	3.3
167.14352	1.2
171.00624	10.5
171.10225	1.4
172.00957	1.2
196.19183	1.0
196.52568	1.0
201.11314	3.5
227.79305	1.1
261.18622	5.0
279.19653	11.1
284.83444	1.1
305.17636	1.4
323.18686	1.3
335.22275	1.3
337.23883	1.5
343.21298	31.3
344.21857	1.8
349.16415	1.1
353.23352	5.7
367.17664	15.8
399.23877	49.1
400.24146	3.5
401.25507	19.4
402.25867	1.7
439.35883	1.2
467.29886	5.8
485.31213	69.0
486.31635	8.5
493.28113	2.2
511.29105	77.5
512.29822	8.7
529.30267	100.0
530.30597	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	529.2666
Annotation	Pharboside D
Peak:m/z	Relative Intensity
51.42806	0.8
57.03452	1.0
59.01098	1.1
59.01386	21.6
61.98829	1.9
67.75233	0.6
71.01389	6.3
72.42414	0.6
72.99296	2.3
73.02950	2.7
75.00881	5.7
80.00613	0.6
83.01400	1.4
85.02959	2.8
89.02448	4.3
93.03484	0.8
100.09633	0.8
101.02443	5.4
109.02934	2.2
113.02437	2.8
119.03484	1.3
119.05028	1.4
121.02949	0.7
123.08190	1.9
125.02382	0.9
135.04518	1.6
139.11313	1.4
141.09225	1.0
143.03543	0.8
143.07083	0.7
145.02965	2.5
149.06055	1.3
150.06860	17.8
151.07390	0.6
161.02434	1.1
161.04573	1.7
163.03940	0.7
163.07664	12.4
163.11282	0.8
164.04846	0.9
164.08328	2.2
174.03230	0.7
175.03999	0.9
177.09236	1.4
178.09970	0.7
179.05618	1.3
179.07104	1.2
179.10777	6.0
182.80605	0.6
183.10280	1.2
185.11842	6.1
187.09753	10.3
193.05070	0.8
215.07222	0.8
255.03127	1.1
288.17416	0.8
304.20410	3.4
305.20871	0.8
306.18420	3.7
307.19031	2.0
320.19980	2.4
321.20798	5.6
348.19394	4.3
349.20187	3.5
366.20444	25.9
367.21237	32.6
367.25885	1.6
368.21622	2.7
391.12088	0.8
443.46509	0.7
469.24481	1.3
487.25262	1.2
529.26544	100.0
530.26874	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	528.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
62.21809	1.1
69.47849	9.8
85.55608	1.1
120.50232	1.3
133.02980	9.7
134.03818	2.0
135.04559	5.8
137.02466	1.7
144.96344	1.1
161.02455	47.1
162.02817	1.7
179.03532	2.1
229.18124	4.3
305.21271	1.7
373.20242	23.1
374.20273	1.5
391.21304	6.5
465.24915	65.9
466.25226	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	529.266
Annotation	Pharboside E
Peak:m/z	Relative Intensity
57.03437	3.2
57.06431	1.0
59.01384	97.1
61.98812	2.2
62.67344	1.0
63.95083	0.9
69.36293	8.1
71.01389	26.4
72.99320	1.9
73.02954	12.2
75.00866	9.3
76.18468	0.8
83.00953	1.1
83.01379	4.3
83.05025	1.4
85.02959	9.4
87.00885	2.4
89.02451	13.2
93.03448	1.5
95.01363	1.6
95.05035	1.3
99.00889	2.3
99.04518	1.6
101.02457	19.4
109.02946	9.7
113.02454	16.3
119.03513	4.7
119.05032	4.2
121.02933	2.2
121.06677	1.0
123.08144	1.2
125.02440	2.5
127.08231	1.1
129.07133	0.9
131.03473	1.8
133.02940	1.8
135.04541	2.5
137.09724	1.8
143.03485	3.7
145.02942	2.0
149.04518	1.5
151.04013	1.0
151.07646	1.1
159.04549	1.5
161.02457	3.6
161.04518	6.4
163.11305	2.2
166.99690	0.9
167.10909	0.9
177.01949	13.2
179.03400	0.9
179.05658	2.3
189.12897	2.3
207.13879	2.2
243.02864	0.9
271.02563	2.4
281.13766	1.1
289.18292	1.1
294.81958	1.3
300.02789	2.6
301.03333	3.9
302.03387	1.7
305.04523	2.2
307.06265	1.0
321.04257	1.2
343.02338	2.0
349.20184	4.6
367.21191	4.9
391.11829	1.5
466.09695	3.3
469.24643	9.3
470.24805	1.6
471.07410	1.1
474.09970	3.2
474.59949	2.2
487.25565	3.1
511.25436	1.5
527.24371	1.4
529.26587	100.0
530.26953	11.1
551.77905	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.9
57.03458	1.5
58.00617	0.6
59.01384	100.0
60.01719	1.0
61.98833	3.4
63.89078	0.5
65.79886	0.4
69.03460	0.5
69.36978	2.5
69.37409	1.4
71.01387	12.9
71.01765	0.8
72.99300	0.6
73.02957	3.3
75.00873	0.7
78.95901	0.5
83.01408	1.9
85.02967	5.2
87.00903	1.5
87.04523	2.7
89.02453	3.4
95.01410	1.1
97.03018	0.5
99.00903	1.7
101.02451	8.9
101.03072	0.6
101.06102	4.0
111.00909	0.4
113.02458	6.0
115.03973	0.5
119.03559	1.0
124.01738	0.5
124.05185	0.4
125.02493	1.3
125.25361	0.4
143.03505	1.3
143.39464	0.5
161.02478	0.6
161.04570	4.7
162.62067	0.4
179.05739	0.6
199.21016	0.5
221.16324	0.4
323.25934	3.2
365.27078	1.1
439.34708	0.7
442.98560	0.5
467.30096	12.5
468.30875	1.8
485.31284	11.5
486.32022	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13866	0.8
59.01366	1.3
59.21805	0.8
61.98833	100.0
64.21013	0.9
65.32192	0.9
65.76641	0.7
65.94776	0.7
71.60719	1.5
71.66980	0.7
133.02960	5.7
134.03708	1.6
135.04536	4.1
137.02463	1.3
143.67171	0.8
159.04558	1.3
161.02455	39.6
162.02747	1.1
179.03488	1.3
229.18152	4.1
241.42801	1.0
242.39355	0.7
305.21249	1.7
314.25772	0.9
373.20233	19.2
374.20526	2.7
391.21368	5.6
465.24936	56.9
466.25085	7.0
529.24890	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.9
59.01384	7.4
61.98806	0.7
63.76673	0.4
69.26734	4.4
71.01379	3.6
72.35712	0.4
73.02957	0.6
75.00852	0.4
83.01397	0.6
85.02950	0.7
87.00878	1.0
89.02447	3.1
90.55929	0.4
101.02451	3.4
109.06592	0.6
111.08163	7.5
113.02468	1.9
113.09743	0.5
119.03486	1.1
123.08178	0.6
137.09738	0.5
141.09247	0.8
153.86685	0.4
158.50197	0.4
159.04510	0.8
161.02487	0.6
161.04565	1.8
167.10753	1.8
177.12828	1.7
179.05621	0.5
179.10806	1.3
181.74226	0.4
186.68787	0.4
195.13910	5.1
235.08362	0.5
245.04610	0.5
247.20755	2.3
253.09297	16.3
254.09581	0.8
273.18665	1.5
291.19669	100.0
292.20038	7.0
360.55191	0.4
439.34302	1.3
521.83435	0.4
527.28375	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	527.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
60.58945	3.9
70.79417	10.6
117.03485	11.6
117.84764	3.4
119.05046	8.4
145.02957	100.0
146.03267	4.0
163.03972	6.6
175.73682	4.4
187.91185	4.3
223.04845	4.3
271.22772	5.5
283.05984	3.6
303.91190	3.7
306.15005	3.8
331.26465	4.1
346.73203	3.8
399.25394	26.4
417.26505	10.5
491.30167	90.8
492.30469	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	527.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22784	1.6
56.30650	1.8
61.98818	3.3
70.10291	4.3
70.10693	3.8
87.36488	1.9
104.37516	1.7
110.67884	1.7
117.03465	16.2
117.29054	1.9
118.94785	1.8
119.05018	8.2
121.02991	1.8
124.99706	1.7
145.02957	100.0
146.03302	2.7
163.03998	6.8
196.43134	1.7
271.22760	8.6
331.26440	6.1
399.25342	25.9
400.25555	2.7
417.26425	18.5
491.30206	75.2
492.30383	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	527.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.0
59.01381	10.6
69.63706	1.1
69.64123	1.8
71.01388	7.1
72.99352	0.7
73.02948	0.8
75.00865	0.5
77.62881	0.4
78.22839	0.4
83.01382	1.0
83.05035	1.1
85.02957	1.4
89.02457	6.0
95.05025	0.5
101.02448	7.3
111.08168	6.4
113.02430	3.9
119.03484	1.0
121.10237	1.3
125.02432	0.7
125.09749	1.0
136.36969	0.7
145.03043	0.6
159.04533	0.9
161.02364	0.5
161.04568	2.9
167.10765	1.1
177.12857	1.2
179.05609	0.8
179.10796	0.8
185.11803	1.3
195.13927	3.4
244.69220	0.5
245.04436	0.6
247.20590	2.0
253.09302	25.2
263.20148	0.7
273.18680	2.0
291.19666	100.0
292.20004	7.1
293.14099	0.7
377.07867	0.5
527.28540	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	527.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	1.2
92.94302	1.1
117.03472	15.5
118.54853	1.1
119.05031	7.5
121.02979	2.1
145.02959	100.0
146.03296	3.6
163.04008	6.0
194.62508	1.2
271.22778	8.0
331.26456	5.7
351.99457	1.3
399.25375	27.6
400.25708	2.6
417.26477	16.7
491.30173	77.1
492.30576	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	526.266
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17930	0.8
58.99160	0.8
61.98835	100.0
63.61753	0.8
69.95439	0.7
70.91846	1.6
81.32169	0.7
98.20061	0.9
101.71641	0.7
118.09566	0.7
145.02989	1.6
216.24083	0.8
231.60832	0.7
343.05832	0.8
371.22427	1.0
389.23676	0.9
417.33078	0.8
436.01764	0.8
463.27240	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	527.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23073	0.9
69.53441	3.6
69.53880	3.2
75.00876	22.1
81.28319	1.0
83.38869	0.8
90.51432	0.8
98.31897	0.9
109.02953	2.1
124.07654	0.9
125.02407	0.9
130.04219	1.8
131.05031	5.9
133.02968	15.2
135.04533	10.4
137.65501	1.0
139.66313	0.8
141.03439	1.5
146.44606	0.9
158.03716	3.5
159.04532	100.0
160.04855	3.2
161.02463	82.5
162.02777	3.0
164.07106	1.7
173.05977	1.1
177.05528	1.8
185.05862	0.9
193.05127	1.1
201.05580	37.6
202.05975	2.0
215.36760	1.1
237.04033	22.1
238.04358	1.2
245.04558	83.2
246.04912	2.7
378.28183	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15377	1.3
59.01380	13.2
61.98818	2.5
62.14480	1.3
71.01379	6.2
72.00905	5.7
73.02942	4.1
75.00875	12.7
78.91874	1.6
81.50450	1.5
89.02456	1.4
93.03435	2.3
98.19827	2.9
100.00410	28.5
100.98350	1.2
101.02463	4.0
108.94280	1.2
109.02954	7.1
113.02446	1.4
116.05056	4.3
117.03470	2.1
119.03555	1.2
119.05023	8.3
121.02975	1.3
123.04440	1.3
130.06625	5.2
133.02960	7.7
134.03708	2.2
135.04529	100.0
136.04828	2.5
142.06621	45.7
143.06999	1.8
145.02969	7.4
147.04443	1.5
148.05319	1.5
149.06013	1.3
151.00392	2.2
159.04515	1.3
159.09296	2.1
161.01080	2.2
161.02438	38.8
161.04491	1.5
161.06044	1.3
162.02725	1.8
163.03958	1.7
175.04051	1.4
179.03474	1.9
185.07187	2.5
186.05594	29.1
187.03969	2.1
187.05687	1.6
203.08249	1.7
218.04442	2.0
221.04601	1.8
227.03526	1.8
227.07190	1.5
229.06180	72.7
230.06441	2.9
237.04059	1.2
255.02956	3.9
268.16595	1.2
271.02374	2.3
284.03101	1.6
285.03931	4.7
300.02673	4.8
301.03400	2.7
321.12451	2.5
321.16855	2.1
325.07248	1.6
365.11411	81.4
365.19534	4.2
366.11810	6.2
411.15402	1.2
447.09579	2.3
527.16681	43.6
527.24542	3.4
528.17047	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41329	0.3
55.92687	0.2
56.48539	0.3
61.98832	100.0
63.23416	0.2
69.35808	0.9
69.36230	1.5
70.26988	0.2
93.96433	0.2
98.03908	0.3
113.63917	0.2
145.02960	1.9
188.87206	0.3
337.13840	0.3
389.23340	0.4
411.81897	0.3
418.79068	0.3
463.27087	2.1
500.95587	0.3
528.19330	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03091	0.7
56.95142	0.7
57.03465	0.8
59.01386	41.4
61.98836	100.0
63.18700	0.7
64.89832	0.7
65.42634	0.5
65.82059	0.6
69.03493	0.7
70.38359	0.6
70.90073	1.5
70.90402	0.7
71.01395	4.3
73.02940	1.4
75.00883	2.5
75.57516	0.6
85.02975	2.1
87.00885	2.2
87.04523	20.5
89.02458	1.2
101.02471	1.9
113.02482	0.7
125.02428	1.1
135.04617	0.7
142.03061	0.7
203.09245	0.8
219.14067	0.7
250.72626	0.7
306.53433	0.7
307.17584	0.8
312.56091	0.7
339.39316	0.8
377.21939	1.8
482.31833	1.3
483.33490	2.0
525.34418	2.3
526.35449	4.3
537.34229	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	52.7
59.48752	1.8
61.98833	100.0
63.33884	1.8
67.21090	1.5
71.01381	7.3
71.62141	2.9
73.02950	7.5
75.00870	9.0
85.02956	1.7
87.00864	4.8
87.04522	27.8
89.02458	3.5
97.06598	2.2
98.09315	1.8
101.02464	4.5
113.02460	2.3
125.02398	1.7
125.09709	2.3
140.25995	1.8
141.09181	3.3
161.02319	2.0
187.09830	4.6
200.04567	2.5
217.10789	2.6
223.13319	2.9
253.09251	2.1
257.29797	2.0
277.08243	1.9
283.13300	5.4
291.19678	12.9
346.23477	2.0
419.22867	2.4
422.65131	2.2
439.34158	2.4
483.29648	3.2
526.30951	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	525.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67043	3.3
56.38882	3.1
58.98877	3.4
59.01379	100.0
61.98836	15.2
70.64149	10.8
71.01387	27.8
73.02959	30.2
75.00878	10.2
83.01398	8.0
85.02968	3.9
87.00881	39.8
89.02460	6.8
96.96015	4.1
98.19835	3.8
101.02432	27.4
113.02457	10.9
118.62554	3.4
119.03487	4.8
125.02454	8.1
125.69872	2.9
129.21614	2.9
134.73288	3.8
161.02528	3.8
167.07112	4.6
289.18130	22.6
435.65179	3.6
437.33148	8.7
465.28973	4.0
481.31903	22.0
512.22864	4.0
525.34503	9.2
529.75574	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	526.084
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	10.2
69.56363	14.9
75.00875	5.8
98.20640	3.9
135.00842	2.6
145.02946	2.1
151.00381	9.1
161.02448	2.5
178.99858	3.0
191.97313	2.5
203.84702	2.5
229.60236	1.9
243.02930	7.5
254.02264	2.1
255.02954	19.1
271.02484	45.4
272.02893	4.0
294.42499	2.0
300.02777	79.9
301.03445	33.6
302.03827	2.5
368.74551	1.9
450.60904	2.1
463.08835	100.0
464.09207	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	524.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42198	0.4
53.75567	0.3
59.01385	25.4
60.01717	0.5
61.98833	100.0
67.83943	0.4
71.01385	1.9
73.02963	0.6
75.00877	1.1
85.02960	0.8
89.02441	0.5
101.02466	2.0
101.10051	0.4
110.31678	0.4
113.02467	0.6
119.05015	0.6
145.03001	1.3
161.02496	0.5
161.04514	0.7
229.59012	0.4
254.75690	0.4
260.49423	0.4
375.23703	3.0
386.57968	0.5
399.05441	0.4
417.25067	1.4
419.23117	0.4
427.75229	0.4
449.86826	0.4
524.31494	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	22.1
60.71382	0.4
61.98835	100.0
71.01397	1.4
71.62265	0.6
73.02950	0.7
74.86532	0.4
85.02950	0.5
99.96209	0.4
101.02464	1.3
101.87607	0.4
112.14334	0.4
113.02498	0.9
115.07691	0.4
119.59122	0.4
129.67941	0.5
139.94066	0.4
163.04100	0.4
166.70996	0.4
240.04166	0.4
375.23886	1.7
410.67645	0.5
417.25192	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	25.0
61.98835	100.0
65.69556	0.6
67.06447	0.6
71.01391	2.2
71.62092	0.6
73.73875	0.5
75.00877	1.5
82.12999	0.5
85.02974	1.3
90.61873	0.5
101.02456	1.6
113.02458	0.8
114.02743	0.5
119.05063	0.6
145.02907	0.8
163.04019	0.5
178.59625	0.6
179.60060	0.5
375.23840	3.0
417.09332	0.6
417.24588	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3276
Annotation	1beta-Hydroxymakisterone C
Peak:m/z	Relative Intensity
55.00592	0.8
57.03445	2.0
59.01382	7.6
59.27301	0.8
61.98833	1.4
71.01398	2.3
71.17330	1.4
73.02937	1.6
73.59833	0.9
85.02975	1.3
91.04031	1.3
97.06623	1.4
99.04513	1.7
101.02477	1.0
109.06581	1.8
111.04491	1.9
113.02490	1.5
123.08171	5.2
135.08185	2.8
137.06142	0.9
137.09734	1.7
149.06090	3.9
150.06873	11.4
153.09262	2.6
155.10822	1.5
162.06866	56.6
163.07648	9.3
173.06178	1.1
174.06888	0.9
176.08412	6.4
177.07657	1.1
177.09221	20.2
178.09726	1.1
187.09782	1.4
261.18622	2.1
279.19748	1.7
287.20239	3.2
345.22818	38.0
346.23181	2.7
365.88248	0.9
396.18021	0.9
444.28955	2.0
446.30582	1.0
447.01245	0.8
459.31256	1.5
468.18774	0.9
505.31775	25.8
506.32141	3.0
523.32892	100.0
524.33228	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	523.2912
Annotation	Carthamosterone B
Peak:m/z	Relative Intensity
57.03465	2.7
58.00602	1.0
59.01385	15.0
61.98840	6.1
69.03476	0.8
71.01405	2.0
73.02975	1.4
75.00879	1.7
83.05058	1.8
85.02985	1.6
87.00904	1.9
89.02494	1.0
91.05589	0.9
93.03474	1.8
94.00779	0.8
97.06612	4.5
98.19843	1.7
99.04546	2.2
101.02460	1.1
101.06119	1.1
107.05110	1.3
109.06602	17.3
111.04529	3.8
113.02483	0.8
119.05060	0.9
121.06633	1.3
123.08179	8.3
125.06121	1.4
125.09756	2.0
127.07667	2.2
135.08179	18.8
136.05302	7.3
137.09808	0.8
138.06879	6.4
139.07658	3.6
141.09248	3.0
145.02983	0.9
148.05321	8.1
149.06116	4.8
150.06839	1.4
151.07639	1.9
153.09222	32.2
154.09633	1.0
157.08707	2.8
162.06956	1.7
163.07646	7.0
165.09285	3.7
177.09383	1.0
187.09695	3.6
191.10847	0.8
199.09818	0.8
201.11342	2.1
203.09230	1.1
215.09283	1.7
217.10826	100.0
218.11198	4.1
306.18600	0.8
307.18918	0.8
323.18713	1.7
341.19604	5.7
359.20685	3.3
383.24237	1.0
389.24344	0.8
431.25381	0.8
479.30206	1.5
487.26849	4.5
488.27176	2.0
505.27994	16.1
506.28149	2.6
523.29022	65.4
524.29340	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	523.276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28199	1.6
55.01871	4.6
57.03442	1.9
58.00582	2.0
59.01383	94.8
61.98831	7.0
67.79900	1.6
70.44210	5.3
71.01390	46.8
72.99291	2.8
73.02954	19.3
75.00874	6.7
83.01393	13.8
85.02952	24.6
87.00883	2.6
87.16956	1.6
89.02448	15.0
95.01389	3.3
97.02948	3.1
97.39659	1.5
98.19870	1.9
99.00868	8.7
101.02451	50.1
103.04025	4.1
113.02463	18.8
117.07052	3.3
119.03522	5.7
125.02441	2.8
131.03554	2.1
135.08223	2.5
136.05304	3.4
145.02962	7.5
145.05054	2.5
159.03014	3.4
161.04550	16.3
163.06158	13.6
177.05641	1.7
179.05655	1.5
205.07161	4.8
221.04565	3.0
257.12912	1.7
261.70053	1.7
265.09433	1.5
317.19696	65.5
318.20044	5.5
319.19006	2.3
376.93741	1.6
420.64651	2.0
463.25500	100.0
464.25919	10.7
523.25720	6.1
523.33044	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	523.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	16.9
61.98825	5.1
70.15348	4.5
71.01388	20.7
72.99333	1.1
73.02946	7.4
73.66292	1.4
75.00882	8.7
80.37372	1.3
83.01385	1.1
85.02962	6.1
89.02454	13.1
93.03455	4.3
95.01418	2.2
97.54091	1.1
99.00890	4.9
101.02445	9.0
109.02970	10.9
113.02473	6.1
119.03570	1.2
119.05033	6.0
121.02954	17.6
122.03768	11.4
123.04524	2.4
125.02453	1.7
131.03519	2.4
134.03769	2.4
135.04541	9.6
137.02469	3.3
145.02979	7.1
147.04494	7.6
149.04579	4.4
151.03975	1.7
154.02682	2.6
159.04486	2.7
161.02440	3.1
161.04538	4.4
161.06035	3.4
163.03955	1.5
164.04779	1.9
165.05598	24.7
173.02435	4.1
179.07156	12.5
185.02438	9.0
193.05093	1.9
216.52953	1.6
217.39139	1.4
227.07169	1.5
243.06604	2.3
253.05144	2.7
254.05789	1.4
255.06435	2.6
266.05786	1.6
267.06708	2.7
269.04654	1.4
271.06113	1.8
279.06662	2.2
293.04645	1.8
294.05130	1.7
295.06055	5.9
300.02594	1.2
307.06058	4.6
315.12366	2.0
331.17661	2.7
346.14081	9.0
361.16589	100.0
362.16879	8.2
421.15125	1.4
429.09830	9.6
447.10278	2.7
463.21872	40.0
464.22006	3.0
523.14008	1.3
523.27698	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2189
Annotation	(-)-Isolariciresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.01383	2.0
61.98839	4.2
69.28059	4.0
71.01395	2.9
73.02953	1.5
75.00864	1.8
77.81534	0.4
85.02959	1.2
89.02458	1.7
93.03443	2.0
99.00886	0.6
101.02457	1.8
105.63015	0.4
109.02962	5.5
113.02429	1.3
119.05022	0.7
121.02960	13.4
122.03760	11.2
123.04505	2.0
124.01678	0.9
125.02451	0.5
129.03473	0.6
134.03746	1.8
135.04572	2.9
137.02478	2.3
145.02959	1.3
146.03645	0.6
147.04524	5.5
148.05237	0.6
149.06085	1.1
150.03210	0.7
151.04022	0.5
154.02739	1.1
160.05249	0.5
161.02428	0.5
161.04597	1.2
161.06071	1.7
162.06866	0.6
163.03941	0.9
164.04878	0.6
165.05580	22.5
166.05911	0.5
175.07683	0.6
179.05676	0.7
179.07155	8.7
185.02423	1.0
193.05002	1.3
201.48692	0.4
209.08089	1.0
223.09692	1.0
253.46161	0.5
255.06572	0.5
298.12106	1.1
313.14545	1.2
315.12347	2.0
316.12943	0.7
346.14218	9.1
347.14453	0.7
361.16574	100.0
362.16943	8.3
391.13901	0.5
429.09717	1.2
463.21762	5.2
493.34308	0.6
522.86377	0.4
523.28485	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2189
Annotation	Mascaroside
Peak:m/z	Relative Intensity
51.53099	1.0
55.01883	2.0
57.03449	1.4
58.00584	1.4
59.01389	23.5
60.99312	0.9
71.01390	18.0
71.61284	1.4
72.99311	1.4
73.02950	4.0
74.54214	0.8
75.00877	7.9
77.90205	0.8
83.01389	2.9
85.02960	8.3
87.00881	3.3
88.64640	0.8
88.98837	5.9
89.02460	9.2
93.03475	6.9
95.01379	2.5
99.00897	2.1
101.02456	13.3
108.02197	1.6
109.02968	6.6
111.00916	1.1
113.02452	6.8
117.03484	1.7
119.03516	3.7
119.05034	3.9
121.02975	12.9
122.03755	11.4
123.04519	2.7
124.01704	1.3
124.07630	0.8
134.03729	1.2
135.04535	4.3
136.05312	1.4
137.02443	3.1
143.03491	1.1
145.02968	12.5
146.03349	0.8
147.04555	8.2
148.07666	0.9
149.06114	0.9
154.02710	1.9
154.56651	0.8
155.10823	1.5
161.02469	2.8
161.04599	1.7
161.06065	2.8
162.06931	0.9
163.04021	3.9
165.05589	24.1
166.05920	1.3
173.06183	1.2
177.05647	1.3
179.07169	7.6
191.07170	1.7
195.94691	0.8
201.11411	1.1
221.04520	3.1
228.10410	1.0
239.09554	1.3
242.10706	1.0
254.11819	5.2
257.12924	4.2
258.13327	0.8
283.35870	0.9
298.12161	1.4
300.02881	1.5
313.14447	2.6
315.12674	1.7
325.03738	1.1
328.13168	1.9
343.11713	0.9
343.15497	4.7
344.15894	1.8
346.14191	7.8
347.14966	1.8
361.16605	94.7
362.16837	9.0
377.18625	6.6
421.17758	10.5
422.18292	1.2
435.19110	1.2
523.21844	100.0
524.22235	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	523.1826
Annotation	Poskeanolide
Peak:m/z	Relative Intensity
58.00589	1.1
59.01385	47.7
60.01702	0.8
67.93514	0.4
69.83641	2.7
71.01387	10.0
72.99306	0.8
73.02930	0.8
75.00857	1.0
79.56191	0.4
83.01387	1.1
85.02959	2.6
89.02454	9.6
93.14932	0.5
95.01382	1.3
101.02460	7.5
107.01410	0.8
108.02176	0.8
109.02956	16.5
109.06580	0.6
110.03271	0.6
111.00885	1.0
113.02470	4.0
119.03477	3.7
119.04987	0.6
123.00900	1.1
123.04502	0.6
124.01652	0.6
125.02330	0.5
137.02373	0.6
145.02991	0.5
151.04054	0.8
152.01184	3.3
153.01947	21.3
163.11324	3.9
195.03003	12.5
201.11287	0.7
207.10275	10.4
208.10570	0.8
222.73367	0.5
225.04118	0.5
255.05139	8.9
256.05536	0.7
269.40213	0.5
342.59906	0.5
369.15332	0.7
387.16632	50.3
388.16837	3.9
461.90274	0.5
463.16180	5.9
464.16617	0.6
505.17273	2.1
506.17093	0.6
523.18207	100.0
524.18610	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	523.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59850	1.0
57.23823	1.1
59.01376	12.2
59.11229	1.2
62.72437	1.1
69.81373	4.1
69.81803	2.3
71.01360	6.2
72.99307	18.1
73.02937	2.2
75.00873	4.4
78.36305	1.0
85.02952	1.6
85.55894	1.0
87.00882	2.5
88.98821	2.0
89.02441	2.3
93.03470	1.4
96.04533	1.1
96.96019	9.1
97.02953	1.4
101.02439	2.7
109.02953	3.9
110.06143	2.8
113.02449	1.0
113.63072	1.1
119.05057	1.1
121.02911	1.7
121.77398	1.2
122.06126	11.6
123.04526	2.4
125.02436	1.4
132.04565	28.7
133.05362	15.5
134.06104	3.2
135.04471	1.2
136.01685	2.9
137.02489	2.5
138.05609	3.5
145.02899	2.3
147.04482	1.4
148.03993	1.3
148.35570	1.0
151.04027	2.4
159.04507	3.2
161.02498	1.4
161.06143	1.8
165.04335	11.6
166.05055	3.0
166.76079	1.2
173.02415	1.5
176.03503	3.8
177.04295	3.6
187.13377	1.3
201.10336	4.3
209.03247	5.6
212.10793	6.4
213.10236	2.8
218.04518	1.1
233.06641	2.3
241.09874	2.1
243.11397	18.8
244.11740	1.9
253.05086	2.2
255.06625	1.9
255.11375	29.6
256.11801	1.8
267.06616	4.0
268.07428	4.4
271.10828	2.3
280.07150	1.1
281.08237	1.8
283.09900	5.3
287.10397	19.5
288.10638	1.8
299.10391	17.6
301.11267	1.8
307.06058	1.9
313.10797	2.7
315.09808	2.2
317.11475	7.4
331.11841	7.6
343.09128	8.9
361.10349	100.0
362.10651	8.3
403.11633	2.4
429.09921	3.2
463.21786	4.1
481.23013	3.2
523.15704	57.8
524.16260	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	523.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23323	0.8
59.01368	2.9
70.30116	3.7
71.01395	1.2
72.99313	20.3
73.01329	0.8
73.21031	0.8
74.17725	0.9
90.07880	0.8
91.87930	0.7
108.04530	1.6
109.02946	1.6
110.06147	4.2
110.89249	0.8
122.06123	11.2
123.04489	1.7
132.04570	29.1
133.05345	16.5
134.06099	2.7
138.05592	3.7
148.04056	0.9
165.04343	13.3
166.05060	3.7
176.03514	2.6
177.04349	5.8
186.05629	1.0
186.09296	1.1
187.05075	1.7
198.09235	0.8
200.10863	0.9
201.10326	5.4
209.03302	7.5
212.06036	1.1
212.10796	6.1
213.10313	2.1
228.10214	0.9
229.09775	2.2
230.09486	0.8
239.08578	0.9
241.09770	1.9
243.11388	19.6
253.09854	1.9
255.11401	30.5
256.11777	1.7
267.06546	1.3
271.10843	2.0
287.10391	24.1
288.10852	1.3
299.10382	18.6
300.11011	1.1
315.09872	1.9
317.11432	6.9
343.09329	9.6
344.09470	1.0
361.10413	100.0
362.10693	8.5
403.11612	1.1
447.02682	1.0
523.15704	83.0
524.16052	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	522.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	11.3
61.98833	100.0
69.44922	2.4
71.01392	1.0
73.02969	0.5
75.00877	0.4
75.79279	0.4
81.35077	0.3
85.02959	0.4
89.02452	0.7
98.19912	0.8
101.02484	1.0
113.02433	0.5
132.05646	0.4
172.29701	0.3
223.13466	0.6
225.14185	0.5
355.21173	0.5
369.06381	0.3
373.22339	0.9
415.23502	1.5
522.23639	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01340	3.2
69.68117	4.6
71.01379	1.1
72.99312	15.2
75.00848	1.3
89.02427	0.7
95.05013	0.8
96.95995	0.7
103.27686	0.7
109.02912	1.4
110.06090	2.3
112.41496	0.8
119.74831	0.7
122.06110	11.6
123.04488	0.8
132.04561	27.1
133.05360	13.7
134.06160	3.5
135.04477	1.2
138.05563	2.6
139.60542	0.7
145.02971	1.3
161.02382	1.3
165.04315	13.4
166.05017	3.1
176.03484	3.1
177.04305	5.3
178.05005	0.8
186.05568	0.9
187.05127	1.3
200.10779	1.8
201.10388	6.1
209.03307	4.6
212.10846	6.0
213.10243	2.5
229.09894	1.4
241.09885	0.8
243.06436	0.8
243.08977	1.5
243.11378	19.9
253.05034	1.1
253.09747	1.2
255.11380	30.6
256.11642	2.1
267.06519	1.1
271.10822	2.0
287.10370	22.3
288.10690	1.4
299.10349	14.8
301.11359	0.7
313.45813	0.8
315.09836	1.6
317.11356	7.8
329.11511	1.0
331.11874	1.0
343.09280	7.7
344.09430	0.9
361.10379	100.0
362.10651	7.1
403.11484	2.1
429.09763	1.4
449.15802	1.2
523.15747	55.7
524.16010	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67236	0.6
55.24735	0.6
58.42806	0.6
59.01385	33.2
61.98836	100.0
63.70507	0.6
71.01385	1.8
75.00885	2.6
85.02977	0.9
89.02473	1.1
101.02474	2.4
104.05063	0.7
106.06652	1.3
113.02473	1.4
143.79529	0.6
145.02977	0.8
165.12971	0.8
195.04512	0.7
199.04202	0.7
211.08862	0.7
229.64038	0.7
358.96521	0.7
373.22400	4.2
384.14429	0.7
415.23343	1.2
416.16418	0.9
460.15033	1.2
476.06650	0.7
478.16010	0.8
522.15131	1.1
522.32037	2.0
523.32806	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60617	0.4
58.03933	0.4
59.01385	20.7
61.98835	100.0
71.01395	1.5
73.02960	0.5
75.00879	0.7
85.02985	0.9
89.02429	0.5
96.87628	0.4
98.19736	0.9
101.02449	1.5
113.02428	1.1
119.05058	0.4
122.58897	0.4
224.67503	0.4
373.22266	2.0
415.23511	0.7
481.03751	0.5
522.30206	1.8
523.30273	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.7
61.98835	100.0
69.45052	1.7
71.01395	0.5
73.34875	0.2
75.00883	0.3
82.19671	0.2
101.02466	0.4
127.98280	0.2
160.34592	0.2
184.90805	0.2
188.96852	0.3
223.13469	0.2
224.13768	0.7
225.14029	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.0
55.25678	0.8
57.03453	1.1
59.01383	41.3
61.98832	11.0
62.00632	0.8
69.40427	0.9
70.77711	2.1
71.01386	15.5
72.99321	1.5
73.02955	5.4
75.00874	9.5
78.95907	1.3
83.01373	2.1
85.02962	6.4
87.00900	1.8
88.98789	0.8
89.02444	5.5
93.03447	1.1
94.25077	1.0
95.01408	1.7
95.77579	0.9
97.06586	1.2
99.00872	1.6
101.02443	11.8
103.00352	4.0
103.04024	2.0
109.02944	3.6
111.00845	0.9
113.02449	5.6
114.31169	0.7
116.92912	1.0
119.03497	2.6
119.05023	2.3
121.02979	2.7
123.08136	1.7
137.09766	0.9
141.09171	0.9
145.02954	1.9
147.04590	4.4
147.05640	0.9
159.04501	1.8
161.04607	1.8
161.05907	1.2
163.04065	1.2
165.05556	4.3
179.07135	2.1
187.09755	2.1
216.59132	0.8
238.06081	1.1
239.07205	1.2
267.06686	2.9
268.07416	1.4
269.08246	2.3
277.21732	1.7
281.08228	1.2
282.08990	3.4
295.09665	2.4
309.11530	1.0
314.08011	3.8
325.10657	1.4
339.12158	1.9
341.23315	1.4
359.24292	2.4
359.28171	1.1
431.29868	1.2
433.12555	1.6
454.20142	1.0
461.31131	1.9
475.18011	1.0
477.27002	2.4
491.17041	2.8
492.17416	1.0
506.19345	5.4
507.19955	1.3
521.21796	42.6
521.29694	100.0
522.22247	6.1
522.30133	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	522.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15160	0.8
57.02874	0.8
59.01383	15.4
61.98834	100.0
69.26854	7.2
69.27188	0.9
70.17174	0.7
71.01397	3.9
73.02961	5.1
75.00885	0.8
82.68978	0.7
83.01394	1.5
85.03005	0.7
89.02449	1.2
101.02476	5.1
113.02464	2.4
161.04556	1.7
172.81207	0.9
184.91393	0.8
188.36121	0.8
207.52673	0.7
223.44278	0.8
280.07187	0.7
308.75894	0.7
402.29315	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97504	0.6
59.01383	33.9
60.01705	0.7
61.98833	100.0
71.01387	2.1
72.93404	0.7
73.02942	1.0
75.00873	3.5
85.02950	1.2
88.74244	0.6
89.02468	1.2
90.80498	0.6
91.01907	0.7
99.00909	0.8
101.02460	3.4
113.02457	1.2
119.05041	1.8
121.45229	0.7
123.90302	0.7
145.03015	1.3
161.02443	0.7
161.04660	0.8
163.04030	0.6
213.05562	4.9
214.05899	5.0
236.11958	0.7
286.53754	0.7
352.88629	0.6
373.22229	2.1
390.31287	0.7
415.24176	0.9
516.03546	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16800	0.6
54.09052	0.6
59.01371	2.5
60.99309	15.5
71.61951	0.7
75.00897	0.8
88.98811	100.0
89.02501	0.9
89.99124	0.7
252.04117	1.2
280.03741	2.5
281.04446	0.8
285.03946	0.7
431.09781	1.0
445.09317	2.2
453.10144	0.8
469.26749	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2029
Annotation	Woorenoside XI
Peak:m/z	Relative Intensity
59.01390	2.5
61.98827	0.8
69.67999	2.1
71.01392	2.0
73.02940	0.6
75.00880	1.3
76.00356	0.4
85.02969	0.6
89.02496	0.5
93.03449	0.6
101.02436	1.2
104.37231	0.4
108.02158	0.7
109.02962	17.1
113.02417	0.9
115.00407	0.4
121.02980	1.0
123.04517	1.3
135.04501	1.4
137.02386	0.5
145.03027	0.6
147.04512	0.7
151.03973	0.7
152.70114	0.4
155.97647	0.4
159.04523	6.7
161.02435	1.1
161.04524	1.3
161.05908	0.4
171.04515	0.5
173.06073	4.5
173.38435	0.4
177.05664	0.6
187.07645	0.5
188.04774	0.7
189.05573	4.8
190.06279	0.5
191.07172	2.1
201.05574	0.6
203.07149	2.2
213.05615	0.6
224.04828	0.6
225.05540	0.6
227.12852	0.8
237.13560	0.4
239.07172	0.9
240.04277	2.5
241.05095	10.8
242.05493	0.5
252.07758	0.7
253.05087	0.9
255.06612	7.5
256.07193	0.9
265.08749	1.1
267.06705	0.7
268.07104	0.5
269.04779	0.4
269.08148	1.7
281.08121	2.2
282.08643	0.5
283.09741	0.6
295.06491	0.5
295.09824	1.1
298.08524	1.2
299.09280	8.2
300.09659	0.7
311.09335	0.5
313.10825	11.1
314.11151	1.1
327.12219	0.8
328.09448	0.6
329.10324	5.4
330.10583	0.7
343.11859	3.2
344.12646	34.7
345.13129	2.8
359.15005	100.0
360.15335	8.9
389.13879	1.2
433.12988	1.5
445.08823	0.5
477.11810	0.9
521.20087	2.0
540.34509	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.4
59.01383	29.5
60.76246	0.4
61.98833	100.0
69.61065	2.9
71.01392	2.9
71.62834	0.4
73.02957	1.7
75.00878	1.2
85.02973	0.9
95.01349	0.5
101.02470	1.7
113.02451	1.1
115.00801	0.4
116.75401	0.4
133.74791	0.4
161.04613	0.8
277.11343	0.5
344.97076	0.5
371.20813	3.0
400.21967	0.4
413.22040	1.0
520.32550	0.5
521.29797	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	520.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32703	0.7
59.01383	17.7
61.98835	100.0
69.45466	1.8
69.45892	2.4
71.01389	5.5
73.02950	7.6
75.00890	0.8
83.01392	2.5
85.02997	0.8
87.13568	0.7
89.02473	0.9
90.52562	0.6
98.08868	0.6
98.19875	1.4
101.02457	7.1
113.02465	3.0
119.03503	0.7
129.54439	0.7
131.03552	1.5
143.03528	0.8
149.04593	1.3
150.05629	1.0
161.04637	2.6
177.31299	0.6
180.11284	0.6
204.68967	0.6
221.29703	0.8
226.42151	0.7
242.97826	0.6
252.85161	0.7
316.14047	1.0
521.29993	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	73.9
61.98829	8.0
68.10432	4.4
69.34045	16.0
69.34471	19.8
71.01386	21.0
73.02953	8.9
75.00874	6.4
75.70589	4.0
85.02934	8.2
86.83318	4.0
99.00880	5.2
101.02451	11.8
113.02477	6.9
125.02454	6.5
133.97398	4.9
134.03714	6.3
135.04541	100.0
136.98967	3.9
161.02454	10.5
197.11951	4.1
271.22687	11.2
291.16107	5.2
309.17044	15.6
338.72482	4.2
383.21014	16.2
433.28152	20.1
475.29123	61.6
476.29672	11.5
509.64825	4.7
519.25714	17.1
519.32599	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	519.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	4.9
59.01101	6.2
59.01385	97.0
61.98835	7.2
69.29536	37.4
71.01396	29.7
73.02950	26.7
73.03289	4.1
75.00860	7.2
83.01398	11.3
85.02928	13.8
87.00929	4.3
98.19815	9.4
99.00893	5.6
101.02467	24.5
113.02441	17.4
135.45094	4.8
161.02419	6.7
163.07652	4.0
177.01935	31.7
271.22754	37.0
297.18567	6.5
375.18317	24.2
415.27039	20.7
433.28116	49.2
475.29224	100.0
476.29507	10.6
519.22229	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48592	0.3
55.01886	0.4
56.07087	0.4
58.00623	0.5
59.01384	100.0
60.01722	1.0
61.31910	0.3
61.88340	0.4
61.98825	0.5
64.17239	0.3
66.52226	0.3
69.48260	2.6
69.57705	0.3
71.01391	8.6
71.72559	0.3
72.02690	0.3
72.13326	0.3
73.02950	2.9
75.00865	0.5
82.50565	0.3
83.01398	0.8
85.02940	2.4
87.00903	0.7
87.04492	0.4
89.02458	4.8
95.01419	0.4
98.19870	0.7
99.00893	0.9
99.04513	0.4
101.02456	7.0
101.06104	0.7
105.95238	0.3
113.02451	3.9
119.03485	1.7
143.03554	0.9
145.05087	0.3
161.04611	2.0
179.05682	0.7
255.19685	1.6
279.19638	0.4
296.01181	0.3
297.20914	0.8
387.79205	0.4
399.23856	9.8
400.24393	1.4
403.08249	0.3
417.24930	11.9
418.25562	1.3
459.25961	4.0
460.26242	0.5
468.32446	0.4
489.19461	1.4
519.32147	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.8
57.03449	0.6
59.01385	100.0
60.01735	0.6
65.49902	0.5
68.01717	0.5
70.57386	0.5
70.71709	1.6
71.01380	6.5
73.02946	2.7
73.24952	0.4
75.00921	0.5
83.01421	1.0
85.02995	2.8
86.04679	0.4
89.02469	4.2
94.53789	0.4
99.00890	0.5
101.02438	4.8
101.06130	0.6
105.07668	0.4
109.74976	0.4
113.02470	2.8
119.03493	1.0
143.03514	1.2
161.04602	2.1
179.05591	0.9
251.20154	0.5
255.17314	0.5
255.19885	1.2
295.19168	1.5
381.23013	1.3
399.23953	8.4
400.24283	0.9
417.24966	11.5
417.30612	0.6
418.25391	0.6
459.25925	3.0
475.26093	0.7
519.21204	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	26.0
61.98834	3.3
65.00330	5.1
69.48404	9.9
69.48820	12.6
71.01365	5.0
72.83510	2.6
75.00872	19.9
78.41531	2.8
83.01401	5.0
89.02460	3.9
93.03458	12.5
96.96040	3.9
101.02538	2.8
107.01403	12.6
119.05037	38.0
145.02979	10.9
151.00391	38.0
161.02455	12.8
177.01970	6.1
178.31099	2.8
183.10365	3.3
255.02948	8.7
271.06122	100.0
272.06381	6.4
284.03323	10.3
285.03882	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	519.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	45.2
61.49077	2.6
64.39530	2.2
70.76972	6.1
71.01391	13.5
75.00896	3.5
75.03014	2.6
78.95905	3.1
85.02959	5.1
87.00882	3.1
101.02461	6.3
117.09682	2.6
119.05018	4.1
135.04535	37.8
138.01730	2.2
161.02512	3.7
172.28989	2.4
225.22453	3.0
271.22803	33.5
291.19440	3.7
309.17105	2.9
383.20782	6.2
415.26993	16.5
433.28091	38.2
434.28519	4.4
475.29175	100.0
476.29465	10.0
519.25726	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	519.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14105	0.5
55.01891	0.9
59.01384	100.0
61.98839	12.0
62.78832	0.6
63.98365	0.5
71.01391	6.7
73.02975	2.1
75.00890	1.3
83.01437	0.7
85.02969	2.4
87.00907	0.9
87.04480	0.9
89.02473	1.8
95.01405	1.2
99.00914	0.8
101.02447	5.2
101.06130	1.2
101.88002	0.6
110.79851	0.6
110.82053	0.7
113.02434	4.2
119.03559	0.9
119.05095	1.5
133.02925	0.7
137.90544	0.6
141.09224	0.8
145.02980	0.7
161.04623	1.8
173.09674	0.7
186.23106	0.7
201.38156	0.6
232.90205	0.7
261.14862	0.7
285.04074	1.1
289.46094	0.8
292.63229	0.7
297.21249	0.7
399.23981	8.3
417.24948	8.7
418.25446	1.2
459.26300	1.9
477.23361	0.9
519.30902	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36238	0.3
59.01389	3.4
59.19820	0.3
70.12273	1.3
71.01378	2.5
72.99332	0.4
75.00888	1.7
75.17176	0.3
89.02461	2.3
92.05074	1.2
93.03423	0.3
94.06641	0.6
97.10000	0.3
98.20010	0.5
101.02458	1.2
106.06647	2.2
108.04602	0.4
108.85385	0.3
109.02966	1.0
110.06126	0.7
113.02478	0.8
119.03548	0.8
120.04565	7.8
121.05416	0.5
122.06134	7.1
134.03748	0.4
135.03276	0.4
136.03996	0.4
150.05621	100.0
151.05966	3.6
164.03625	0.5
179.05621	0.3
192.09265	0.4
193.04979	0.4
194.04602	69.3
195.04924	2.5
218.32126	0.4
226.06360	3.6
227.07198	0.9
236.05768	0.4
255.10385	1.2
296.07837	0.4
338.08807	0.5
357.09714	0.5
389.12604	2.1
518.15210	21.4
519.15356	3.2
533.80707	0.3
539.81903	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28103	0.3
52.15219	0.3
59.01383	2.8
61.98835	100.0
69.29638	2.4
69.30038	0.7
70.29736	0.3
70.82792	0.3
71.01392	0.9
73.02951	0.5
75.00885	5.0
76.01215	0.3
77.50018	0.3
85.02975	0.4
89.02451	0.6
93.87379	0.3
96.39021	0.3
97.84205	0.3
101.02464	1.0
106.06633	0.5
109.02975	0.6
113.02464	0.4
116.92841	0.4
119.05055	1.1
135.04514	0.4
145.03004	1.4
146.03345	0.5
147.04590	0.5
161.02504	1.0
163.04065	0.7
227.07251	1.0
230.88506	0.3
243.03352	0.3
281.08594	0.4
285.04117	0.5
300.02823	0.5
437.64789	0.6
506.95148	0.3
515.12384	0.4
517.98657	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	0.5
59.01374	3.4
59.57547	0.4
65.09125	0.4
69.67010	0.4
70.88860	1.2
71.01395	3.5
85.02951	0.6
89.02438	2.2
95.29137	0.4
101.02465	1.2
106.06634	100.0
107.07009	2.9
113.02469	1.8
114.89330	0.4
118.01083	0.5
119.49989	0.5
132.89078	0.4
134.09114	0.4
150.05623	86.1
151.05962	3.9
164.07166	1.2
171.18674	0.4
179.05684	0.4
192.06654	1.2
194.04570	7.6
231.83266	0.4
289.07501	0.4
296.07904	0.8
356.09949	1.5
392.28430	0.4
397.08792	0.4
474.16263	4.6
518.15143	28.7
519.15454	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	518.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.3
61.22801	0.3
71.01388	3.7
71.61767	0.6
72.99307	0.8
73.02951	0.6
75.00875	3.5
83.01368	0.3
85.02950	0.6
87.00886	0.4
88.98793	1.3
89.02435	2.3
92.07587	0.3
93.03521	0.3
99.00904	0.4
101.02451	2.1
105.72376	0.3
105.73261	0.3
106.06630	100.0
107.06332	0.5
107.06967	3.4
108.08154	0.4
109.02959	0.9
113.02460	1.0
119.03500	0.5
119.05032	1.2
121.45766	0.3
125.02393	0.5
129.81165	0.4
131.03482	0.3
132.08189	2.0
133.02924	0.5
134.06143	0.6
135.04515	0.4
145.02939	2.4
146.03413	0.3
150.05609	69.4
151.05962	2.3
153.01926	1.1
160.07661	1.9
161.02451	1.4
163.03981	0.6
164.07133	1.6
176.07222	1.5
183.10262	0.6
184.20221	0.3
192.06743	1.8
194.04594	4.2
204.06645	3.9
232.08977	0.3
236.05574	0.8
252.08723	0.4
266.06784	1.9
285.03931	0.4
294.09781	0.4
297.06238	0.3
338.08734	0.7
356.09821	2.9
386.25610	0.3
404.72574	0.4
461.10809	0.7
474.09500	0.5
474.16241	8.4
475.16458	1.0
475.53674	0.3
518.15131	33.8
519.15735	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	83.0
59.26840	4.9
65.46128	5.3
68.48177	4.9
69.88179	21.2
71.01387	29.0
72.43587	4.7
73.02953	19.2
74.55206	5.2
76.64285	5.0
85.02987	8.4
85.35515	6.2
87.04502	5.6
95.36310	5.9
96.64091	5.1
98.19963	10.4
101.02460	24.9
108.36440	5.3
113.02452	15.7
161.04474	6.4
387.23962	7.2
413.21988	9.2
431.22986	14.3
473.23975	100.0
474.24323	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	517.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50805	2.3
57.03458	2.6
59.01384	84.2
61.98818	8.0
69.64046	4.9
69.64462	12.1
71.01383	33.0
73.02956	23.3
75.00868	7.3
78.95901	6.7
83.01376	7.0
85.02951	8.4
87.00871	2.9
89.02449	7.3
96.96014	36.0
96.96958	6.0
101.02448	22.9
104.05081	3.6
106.06618	10.1
108.08194	12.2
113.02437	8.0
114.93409	7.3
145.02928	4.1
148.04056	39.0
152.07164	5.2
160.04060	25.0
161.04819	30.2
162.05560	6.6
179.07045	2.4
191.91316	2.6
193.03824	10.7
197.11884	3.5
237.18608	2.4
237.29720	2.4
242.11816	3.7
253.18211	4.7
267.11459	8.2
267.15884	3.1
269.12997	62.2
269.17502	35.2
270.13297	4.1
270.17932	3.1
288.70825	2.7
295.10904	72.7
295.15472	4.2
296.11084	3.9
297.12076	2.4
313.11935	52.7
314.12384	4.5
355.12894	10.7
413.21820	21.1
431.22928	17.3
457.15930	3.4
473.23895	53.0
474.24081	5.4
475.17343	6.8
481.24097	2.8
517.18341	100.0
517.30670	8.8
518.18726	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	517.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64485	2.5
56.79682	2.5
57.39997	2.3
59.01099	5.0
59.01385	100.0
60.01648	2.3
61.98840	3.3
69.60567	2.6
71.01374	11.1
73.02949	10.2
75.00868	6.9
84.87782	2.5
85.02954	9.6
87.04517	47.9
89.02449	5.2
99.04514	3.3
99.90062	2.5
101.02421	11.8
107.83367	2.7
112.93371	2.6
113.02451	6.4
123.04533	7.0
164.43312	2.7
221.26529	3.1
251.07204	4.9
266.64081	2.8
269.17584	75.8
270.17877	4.2
279.06570	9.4
293.17609	9.2
323.05533	9.8
333.83478	2.8
338.07907	11.3
353.10223	36.3
354.10654	3.2
517.30414	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	517.229
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49992	3.1
59.01385	100.0
71.01393	23.1
71.61576	4.2
73.02943	14.9
76.60545	3.0
83.01395	3.4
85.02949	9.5
86.54312	3.5
87.04501	3.9
89.02437	8.6
101.02425	14.9
113.02457	8.6
121.30093	3.0
125.02467	3.4
151.07736	2.9
154.88289	2.9
161.04591	4.7
174.19016	3.5
224.08328	3.3
239.20094	3.1
387.23840	6.3
413.21759	3.6
431.22739	4.6
473.23901	84.1
474.24326	9.2
517.30530	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	517.172
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08272	0.6
59.01383	24.6
61.98830	15.4
71.01382	4.9
73.02970	4.8
75.00864	2.6
83.01398	1.7
83.69212	0.6
85.02953	1.2
89.02448	2.0
101.02437	4.7
109.02946	0.7
113.02460	2.7
116.92871	1.5
119.03524	1.0
119.05042	1.2
137.09663	0.6
145.02962	3.0
151.07625	0.7
161.02481	0.8
161.04581	2.1
163.04065	0.8
193.05042	0.9
193.06618	0.9
195.08134	1.1
206.07301	1.0
207.08154	3.3
209.06081	1.5
219.08064	0.8
223.07637	3.7
224.04846	0.8
227.07198	0.9
233.06055	1.3
234.06879	2.1
235.07730	5.7
250.06241	1.2
251.07140	25.5
252.07350	1.2
261.05573	1.6
262.06198	3.0
263.07138	11.0
264.07935	4.7
266.09460	0.7
267.06708	1.4
277.08667	1.0
278.06091	0.8
278.09561	1.8
279.06650	29.0
280.06897	2.4
281.08060	0.9
282.08878	1.7
293.08249	2.8
294.08951	7.2
295.06152	11.8
295.09232	1.1
296.06671	0.9
306.05243	0.9
307.06137	5.8
308.06760	1.7
309.07898	0.6
309.11487	0.9
310.08459	4.7
321.07593	2.0
322.08435	10.0
323.05634	32.1
323.09042	2.3
324.05914	1.9
337.07086	2.3
338.07983	25.3
338.11423	0.6
339.08191	2.5
353.10309	100.0
354.10657	8.3
374.58270	0.6
379.47168	0.7
397.22223	0.9
414.92551	0.6
415.23236	1.0
487.17294	0.7
516.32990	1.0
517.22125	3.9
517.29291	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05539	0.4
58.00589	0.4
59.01091	0.8
59.01384	13.3
60.62059	0.4
61.98831	5.3
69.27744	2.3
69.28173	1.7
71.01381	1.8
73.02986	0.9
75.00874	0.9
75.87140	0.4
78.10983	0.4
79.06590	0.4
83.01411	0.5
83.34771	0.4
85.02956	0.5
89.02459	0.9
101.02441	1.6
113.02447	1.1
119.03513	0.5
133.02951	0.6
135.04593	0.5
145.02951	3.1
159.04506	0.6
161.04578	0.7
192.04329	0.6
193.05005	1.0
195.08223	0.9
206.07422	0.6
207.06560	0.6
207.08232	2.6
208.08871	0.6
209.06032	1.0
217.06688	0.5
223.07640	3.5
224.04826	0.5
233.06067	1.5
234.06870	1.2
235.07658	4.4
236.08224	0.7
246.06799	0.5
247.07680	0.7
249.05693	0.5
250.06323	2.0
251.07147	17.5
252.07542	1.5
261.05557	1.3
262.06277	2.7
263.07129	8.3
264.07910	5.6
265.08591	1.2
266.09402	0.6
267.06473	0.5
276.07877	0.8
277.08737	0.6
278.06000	0.8
278.09412	0.9
279.06656	23.6
279.09879	1.0
280.06985	1.4
282.08997	2.1
293.08194	2.3
294.09006	8.1
295.06137	8.5
295.09268	0.7
296.06320	0.9
306.05429	0.9
307.06104	3.3
308.06781	1.6
309.07727	0.6
309.11188	0.9
310.08441	3.7
320.06760	0.5
321.07593	2.1
322.08466	7.5
323.05637	21.8
323.09033	1.6
324.05930	2.1
337.07101	2.4
338.07956	27.2
339.08334	1.4
353.10312	100.0
354.10629	8.7
516.32434	0.8
517.16907	1.5
517.31219	1.2
518.16852	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	7.2
65.59635	1.3
69.51818	7.7
71.01384	2.7
72.99311	17.6
73.02943	1.1
74.02551	1.0
75.00871	10.3
83.01389	2.5
85.09722	1.1
89.02503	1.2
92.92648	1.1
93.03477	7.0
97.03003	1.2
109.02973	7.2
111.00890	22.8
119.05032	12.6
123.04538	11.0
128.03261	1.2
133.02969	1.4
133.06613	3.5
134.03755	3.1
135.04529	7.5
145.02908	2.5
145.06599	1.2
147.04524	27.3
149.06087	5.7
150.05562	3.3
159.04486	4.1
161.02388	2.0
161.06084	25.1
162.06445	1.5
163.04001	7.3
164.03490	1.3
173.06099	4.8
175.03946	2.3
177.05515	1.5
178.02736	2.7
179.07133	6.4
185.02490	10.7
186.03113	1.6
191.03502	60.6
192.03844	2.3
193.05070	5.6
194.04575	1.7
203.03389	2.3
203.07111	2.1
205.05069	12.7
209.04555	53.6
210.04861	2.6
215.07158	1.9
233.04454	3.1
233.08186	1.9
251.03221	2.0
251.05606	2.5
265.05069	1.5
267.06412	1.8
268.07410	1.5
277.04620	1.6
277.07309	5.8
279.02948	4.9
283.09787	4.7
291.06525	1.5
293.04504	3.1
295.08401	24.2
296.08575	1.6
309.07788	9.6
321.04041	17.3
339.05060	4.9
355.10568	1.3
367.10336	19.9
397.05795	5.7
397.10718	1.5
415.07193	1.5
517.15637	100.0
518.15802	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	516.2734
Annotation	Paspalitrem B
Peak:m/z	Relative Intensity
50.70232	1.3
59.01383	13.2
61.98849	2.1
69.03465	2.5
69.31333	3.6
69.31749	10.3
75.00859	1.5
78.95907	66.2
98.19900	3.0
103.39916	1.4
107.08689	2.8
119.01401	5.0
122.00179	3.4
135.04572	2.8
135.11819	4.6
135.84761	1.3
136.02484	1.6
139.11299	3.8
140.01198	19.1
152.99608	5.5
159.04509	10.2
160.04865	4.4
163.11340	5.4
179.01248	1.9
179.10782	27.1
180.11142	1.7
189.01982	1.7
196.03801	30.5
203.18051	2.3
207.10329	4.5
208.10965	1.8
214.04860	13.2
217.01434	3.6
240.10132	1.7
257.22830	9.7
258.01721	2.2
301.21667	15.0
319.22775	89.6
320.23077	9.7
380.19604	2.8
381.17221	1.7
398.20358	1.7
443.17239	6.9
516.27539	100.0
517.20996	21.2
517.27997	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	517.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82396	0.7
59.01094	1.5
59.01385	28.8
71.00957	0.9
73.02962	1.2
75.49599	0.8
93.03478	3.4
111.00876	2.9
112.63359	0.8
117.16745	0.8
119.05037	9.2
123.04460	0.9
131.04921	0.9
132.05821	3.1
133.02866	1.0
133.06595	9.1
146.03807	1.7
147.04536	1.3
149.06102	2.1
159.04512	1.0
161.06093	100.0
162.06433	5.3
163.04018	1.6
203.07129	1.3
205.05067	33.4
206.05449	1.3
223.06175	1.8
233.08177	1.2
251.09251	6.1
295.08246	79.9
296.08490	5.1
367.10287	3.4
533.45361	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	19.1
59.47079	2.3
61.28614	2.6
69.79207	13.5
71.01385	4.8
75.00876	8.8
83.01405	5.1
87.47137	2.2
93.03468	33.3
97.02974	2.9
109.02942	5.9
111.00140	5.2
111.00890	99.2
117.03434	2.4
119.05024	23.3
123.04534	7.9
131.05029	3.7
133.02907	2.8
133.06616	9.2
134.03749	4.5
137.02379	3.1
145.02971	4.8
147.04565	3.3
149.06044	9.5
150.05574	6.8
159.04477	4.6
161.02419	4.6
161.06087	99.5
162.06343	3.2
173.06084	15.5
177.05540	3.4
178.02747	2.9
179.07123	18.5
185.02513	7.0
191.03438	3.4
193.05077	4.3
194.04555	4.2
203.03484	5.8
203.07117	14.9
205.05058	48.8
209.04692	3.3
215.07126	4.9
233.08217	4.5
247.06041	4.8
251.09273	6.4
277.04498	3.4
277.07202	32.0
278.07440	2.7
279.03058	3.5
295.08292	100.0
296.08490	6.8
309.07602	4.9
311.05484	3.2
319.08221	6.6
321.04047	8.1
339.05020	3.1
367.10339	87.8
368.10788	6.7
397.05490	5.1
409.11066	4.3
457.13016	3.1
517.15289	2.9
518.15417	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	516.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	10.5
59.01392	3.4
59.07311	0.7
61.98835	100.0
62.98539	2.0
62.99277	0.6
63.99257	9.4
68.05069	0.8
70.11363	2.5
71.01389	2.5
72.00915	1.2
74.02483	23.4
75.00885	4.7
80.03837	0.9
81.02263	0.7
81.04586	1.7
82.02979	3.5
84.04535	1.3
86.02469	9.3
86.06131	1.5
87.05633	4.3
88.04069	0.8
96.04539	1.1
97.04089	3.9
98.02473	0.7
98.20578	0.8
99.05650	20.2
99.06280	1.2
100.00383	1.0
101.02469	1.2
101.07208	5.0
102.05602	3.9
107.06178	1.0
109.02945	1.1
109.04099	4.2
109.07728	1.2
111.05656	2.5
112.04061	2.4
113.03570	1.1
117.10557	0.7
119.05090	1.2
121.02973	2.3
123.05645	1.6
124.04097	1.4
124.51551	0.7
125.03590	4.3
126.04364	0.8
127.05141	3.9
128.03549	56.8
133.62462	0.7
135.04555	1.9
135.05661	7.7
135.11812	1.8
137.07249	2.5
138.05652	1.6
139.01440	0.7
139.78978	0.7
141.06725	2.4
143.04634	78.3
144.05000	1.2
145.02937	1.9
145.06169	3.6
146.04588	7.9
153.06700	5.3
155.08250	1.0
160.36119	0.7
166.09882	3.3
167.04665	2.6
167.08276	4.9
170.03404	2.2
171.04147	1.4
171.07765	0.9
179.04639	23.7
181.06244	2.6
185.05673	2.3
191.63579	0.7
192.07784	3.1
197.05734	3.8
204.49339	0.7
209.11897	2.0
210.08838	20.5
210.10730	1.3
228.09923	1.8
236.06847	0.7
242.31839	0.7
243.10500	3.3
254.07834	44.2
255.08145	1.6
272.08893	56.4
273.09256	4.1
330.13589	0.8
380.09625	0.8
387.15942	11.5
388.16425	1.1
473.97531	0.7
478.11252	1.0
498.19199	13.1
499.19650	1.3
516.20227	70.9
517.20551	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	516.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65742	0.7
57.03460	0.7
59.01382	48.3
60.01706	1.0
61.98834	100.0
71.01388	6.5
71.61781	1.2
73.02960	3.0
75.00895	1.9
81.03455	0.7
83.01395	0.9
85.02970	2.8
87.00910	0.9
89.02462	2.9
95.01408	0.9
101.02445	4.7
109.02967	5.2
113.02470	3.3
119.03531	1.3
119.05022	0.8
121.02979	0.8
125.02497	0.9
135.04544	6.6
146.03755	1.7
147.04547	1.8
148.05307	0.8
149.06203	0.7
159.04547	6.8
161.04570	1.0
163.04025	0.9
172.05402	1.0
173.06123	3.6
175.03961	1.3
175.07680	1.8
176.04828	3.0
185.06064	0.8
186.06766	0.9
187.04002	1.2
187.07680	3.1
188.04720	0.8
189.05595	2.0
199.07689	1.3
200.04724	1.3
201.05589	1.6
205.08730	5.4
214.06487	1.1
215.07082	7.6
216.07964	1.3
217.08714	14.9
226.06358	2.6
229.08716	4.0
243.10355	1.9
255.10251	9.2
268.07431	1.8
281.17719	1.6
292.07465	1.5
293.21283	1.2
311.22446	2.7
312.22696	1.2
321.11383	3.6
347.13116	2.5
365.13940	25.0
366.14496	1.8
409.12985	0.8
415.23672	1.7
455.26395	1.6
457.24210	1.6
471.33353	1.7
472.34344	0.9
473.27612	2.1
474.27866	1.3
515.28320	9.4
516.11981	0.9
516.28680	7.8
517.30310	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14204	0.1
55.01871	0.2
57.03451	0.2
58.00602	0.2
59.01379	4.7
70.20847	0.2
71.01382	4.2
72.99321	0.3
73.02949	0.8
83.01374	0.6
85.02954	1.0
87.00880	0.5
89.02451	3.2
91.04007	0.1
95.01390	0.4
97.02962	0.2
99.00903	0.3
101.02448	4.0
106.87125	0.1
113.02452	2.0
115.04005	0.1
118.40497	0.1
119.03496	1.0
122.98417	0.1
125.02464	0.2
131.03493	0.2
133.05058	0.3
143.03514	0.4
145.01930	0.1
145.02931	0.5
149.04518	0.1
159.04550	0.1
161.04565	1.5
179.05545	0.6
185.16142	0.1
235.08212	1.0
253.09282	13.6
254.09500	0.4
261.22141	0.3
279.23276	100.0
280.23636	7.6
290.74158	0.1
385.24036	0.2
413.12726	0.1
466.55844	0.1
477.28674	0.3
510.49496	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.4
58.00593	0.2
58.44225	0.2
59.01381	5.3
70.21910	0.5
71.01389	4.8
72.99305	0.4
73.02950	1.0
73.66674	0.1
75.00874	0.2
76.70579	0.1
83.01392	0.7
83.05012	0.2
85.02950	1.2
87.00874	0.6
87.02929	0.1
89.02450	3.4
95.01398	0.4
97.02964	0.2
99.00882	0.2
101.02456	4.6
113.02471	2.0
119.03497	0.9
133.05096	0.2
143.03499	0.4
145.03014	0.2
157.05042	0.2
161.04575	1.6
179.05650	0.7
235.08310	0.9
253.09296	16.1
254.09641	0.6
261.22308	0.4
279.23291	100.0
280.23654	8.1
477.28534	0.2
537.19183	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02964	1.0
59.01384	12.0
61.98836	100.0
71.01379	3.5
73.02950	5.7
73.72076	0.8
74.02460	1.0
75.00880	2.6
78.44671	0.7
83.01388	0.9
85.02951	1.3
86.02518	1.0
86.54881	0.9
98.19820	1.9
99.05629	1.0
101.02443	4.6
104.47661	0.7
107.84613	0.7
113.02458	0.8
121.02136	1.4
121.02970	24.8
128.03525	3.7
135.04482	1.4
138.05594	1.1
143.04619	5.1
145.02989	1.3
163.03902	1.0
179.04669	1.9
210.08826	1.8
254.07851	3.5
272.08917	4.0
297.61209	0.8
320.33636	0.9
350.47260	0.9
387.16248	1.0
516.19916	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.5
55.83195	0.7
57.03432	0.7
58.00596	1.5
59.01090	1.3
59.01384	21.6
64.79670	0.8
65.03958	1.2
69.03459	1.6
70.90968	1.5
71.01386	18.3
72.99313	1.2
73.02538	1.1
73.02950	21.5
81.03466	3.3
83.05035	7.7
85.02956	6.1
87.00885	1.1
89.02451	23.9
93.03466	62.0
94.03804	1.4
95.01427	0.8
99.00887	8.9
99.04523	8.1
101.02441	8.2
109.02987	1.2
111.04526	24.3
113.02470	7.9
119.03511	8.9
129.01981	4.0
131.03535	1.7
137.02463	16.6
143.03526	6.1
149.04617	0.8
155.03529	10.9
161.04565	2.9
161.92442	0.7
173.04567	100.0
174.04890	3.5
179.05644	12.6
197.65508	0.7
241.04114	0.8
341.10889	64.4
342.11240	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	515.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72188	1.3
59.01383	12.5
60.32497	1.1
61.98836	100.0
66.27930	1.1
69.47355	9.3
71.01382	4.1
73.02969	6.6
74.02493	2.3
75.00880	3.1
75.10855	1.1
86.02460	1.3
89.02439	1.3
98.19900	2.5
99.05645	1.9
101.02455	4.5
121.02129	2.1
121.02962	27.7
125.24755	1.2
128.03546	3.1
131.03516	1.4
135.04509	3.3
135.61487	1.1
143.03625	1.2
143.04648	4.7
145.02975	1.4
209.67624	1.3
223.89590	1.2
272.08881	2.7
285.68967	1.1
311.94165	1.1
343.50928	1.2
467.05533	1.3
516.20074	3.5
533.06628	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.9
60.82703	0.1
61.77832	0.1
61.86860	0.1
61.98834	100.0
69.80109	0.9
71.01428	0.1
73.02960	0.2
75.00882	0.2
76.70347	0.1
90.55817	0.2
92.55572	0.2
93.03485	0.2
98.19937	0.2
101.02450	0.2
109.02972	0.5
121.02987	0.3
133.38780	0.1
135.04533	1.5
136.04898	0.6
152.08083	0.1
153.01941	1.1
154.02315	0.4
179.03505	1.3
180.03854	0.3
252.30334	0.1
297.06180	0.7
298.06625	0.6
319.70215	0.2
399.19016	0.1
453.33694	0.3
454.33929	0.5
477.10498	0.9
478.10626	1.2
479.10742	0.2
514.08746	0.2
514.32971	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48182	1.9
57.34254	2.2
59.01384	43.4
71.01389	32.2
71.59627	2.8
71.60087	3.7
72.99301	14.5
73.02950	13.7
83.05038	9.6
85.02962	8.3
87.00901	4.3
89.02460	44.0
93.03467	47.4
95.01385	2.7
99.00884	8.3
99.04545	6.5
101.02446	15.9
111.04527	29.7
113.02453	17.2
119.03517	17.0
129.05589	61.8
137.02477	12.8
142.99852	7.5
143.03577	7.5
151.85347	2.1
155.03503	21.3
161.04550	5.7
173.04561	93.6
174.04924	3.2
179.05627	19.5
182.40175	2.2
213.73497	2.7
341.10886	100.0
342.11069	5.8
422.64996	3.0
498.14374	2.8
498.35410	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	514.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01962	0.6
61.98834	100.0
67.55436	0.5
73.16035	0.5
91.43231	0.5
139.24561	0.5
408.15128	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
69.63579	8.2
87.72617	7.1
120.37380	7.8
133.03008	7.8
138.64998	7.0
145.02956	9.1
159.04530	18.9
161.02513	38.8
166.33093	7.2
186.79463	7.8
295.38971	7.6
308.92276	8.0
333.68506	8.3
359.18524	22.1
377.19922	13.5
451.23273	68.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.9
61.98830	100.0
64.42227	3.5
71.61947	5.1
73.71976	3.9
78.95885	5.6
86.39375	3.6
133.02945	7.4
135.04524	7.8
145.02950	4.6
161.02461	52.2
261.44171	3.8
301.03418	3.7
359.18704	23.2
376.37711	3.8
377.19778	7.4
451.23328	67.7
452.23730	14.0
493.60889	3.9
512.94293	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	513.307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.8
55.05521	0.8
56.28078	0.7
58.00589	0.8
59.01386	28.6
61.98821	2.9
64.01521	0.7
69.03472	1.1
69.51019	0.9
71.01382	6.3
71.37929	1.7
72.99333	1.0
73.02963	6.5
74.02473	2.2
75.00880	9.4
76.97167	0.8
83.01382	1.3
83.05024	4.0
85.02956	5.7
87.00867	0.9
87.04498	1.2
88.98837	1.1
89.02460	2.2
93.03472	3.2
95.05029	2.0
97.06614	3.1
99.04506	1.8
101.02457	4.7
109.02969	1.2
109.06603	3.4
111.04528	5.8
111.08174	1.2
113.02447	3.0
113.06141	1.3
116.05075	3.2
117.07089	1.1
119.05017	4.7
121.06606	1.4
122.03719	1.1
123.08154	9.5
125.06060	1.1
125.09737	2.2
125.94507	0.7
127.11310	1.1
133.06635	1.3
135.04607	0.8
135.08173	3.8
136.05309	7.3
137.06154	1.0
137.09731	2.5
139.07668	1.1
141.09236	2.9
142.06619	1.3
145.02989	2.9
150.06873	1.8
151.07657	40.4
152.08034	1.2
153.09145	1.0
155.10805	2.0
161.02484	1.6
161.04604	1.5
163.04189	0.9
163.07693	1.3
167.07158	1.2
173.08243	2.5
179.03439	0.9
187.09981	0.7
201.11371	5.8
203.08286	8.8
211.07678	2.6
217.10698	1.0
229.06212	1.5
234.05769	0.8
261.18610	1.8
265.08801	2.3
283.07364	1.5
289.18042	1.8
324.58069	0.8
329.19714	1.2
343.21323	11.0
344.21957	1.0
349.11877	0.9
367.13052	1.1
399.24072	0.9
415.28561	1.4
431.28085	3.9
433.29770	1.2
449.29120	3.3
469.17633	1.4
469.32242	1.8
477.28711	5.1
495.29684	29.5
496.30133	3.3
513.17877	3.0
513.30780	100.0
514.31085	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	513.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94975	0.7
58.00596	1.2
59.01384	34.4
61.98829	1.6
71.01389	5.3
71.61256	1.1
73.02952	3.3
75.00878	5.8
83.05029	2.0
85.02966	2.2
87.00863	1.5
89.02436	2.9
93.03457	3.0
97.06590	2.8
99.04519	1.8
101.02454	4.5
101.03005	0.8
109.02948	1.7
109.06607	12.9
111.04535	4.2
111.08149	1.1
113.02441	3.5
114.05676	1.4
119.03548	1.5
119.05010	1.9
120.05773	0.9
121.06647	1.4
123.04522	1.7
123.08168	9.2
125.02440	1.1
125.06091	1.6
125.09692	2.4
127.07629	2.0
133.06606	1.0
135.04497	0.9
135.06619	1.1
135.08167	22.5
137.06085	1.6
137.09698	4.3
138.06879	6.8
141.09283	1.2
143.03551	1.2
145.02960	1.8
151.07658	2.2
152.15750	0.8
153.09222	36.3
154.09552	1.2
161.02472	1.5
161.04691	2.6
165.20203	0.8
167.06062	1.4
187.09755	6.1
191.14490	1.7
203.08156	0.9
217.10811	100.0
218.11145	5.6
222.06738	2.4
236.08408	1.6
244.09819	1.8
264.07819	1.2
272.57727	0.9
280.07361	1.2
284.03488	1.0
285.04068	1.7
291.19687	5.3
295.19183	2.4
308.06921	1.8
325.20267	0.8
341.19766	1.5
342.76266	0.9
347.12506	2.4
403.13901	0.9
423.13168	2.6
431.28128	1.0
449.29294	1.3
453.14420	5.3
453.25400	1.2
469.20676	1.1
477.14328	1.1
477.28732	4.6
495.29742	19.0
496.29944	2.1
513.30762	81.6
514.31012	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	513.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.4
57.03449	0.2
58.00602	0.2
59.01382	6.9
63.88623	0.1
69.03493	0.1
70.22089	0.3
71.01386	5.0
72.99324	0.3
73.02956	1.2
73.85366	0.1
83.01394	0.5
83.05039	0.2
85.02957	1.1
85.06714	0.1
87.00881	0.6
89.02450	3.8
91.04032	0.2
95.01411	0.4
97.02957	0.2
97.06623	0.1
99.00898	0.3
101.02446	4.6
102.02756	0.1
103.04040	0.2
113.02451	2.1
115.04008	0.2
119.03500	1.0
125.02506	0.1
127.04063	0.1
127.07663	0.2
133.05072	0.4
141.09251	0.4
143.03484	0.4
149.04576	0.1
157.05055	0.2
161.04572	1.5
179.05658	0.6
190.88206	0.1
205.19783	0.1
209.35599	0.1
229.98337	0.1
233.22795	0.3
235.08224	1.1
253.09290	15.3
254.09660	0.7
259.20703	0.2
275.20139	0.4
277.21719	100.0
278.22061	8.1
278.25323	0.2
425.36432	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.4
57.03454	0.1
58.00606	0.4
59.01385	7.7
60.81532	0.1
71.00993	0.3
71.01387	5.8
71.13368	0.2
71.13694	0.1
72.99324	0.4
73.02954	1.3
76.10599	0.1
83.01391	0.6
83.05071	0.2
85.02951	1.5
85.03373	0.1
87.00878	0.6
89.02453	4.5
89.02996	0.2
91.04038	0.2
95.01424	0.5
97.02972	0.3
99.00888	0.3
101.01775	0.2
101.02448	5.3
102.02802	0.1
103.04012	0.2
113.02451	2.4
115.04037	0.2
119.03503	0.9
125.02470	0.2
127.07663	0.3
128.99953	0.1
131.03560	0.2
133.05119	0.3
143.03485	0.4
157.05110	0.1
161.04582	2.0
179.05606	0.7
182.13142	0.1
194.16176	0.1
208.83180	0.1
213.80394	0.1
233.22740	0.4
235.08167	0.8
253.09294	19.4
254.09760	0.7
259.20685	0.4
260.64893	0.1
275.20108	0.3
277.21725	100.0
278.22076	8.0
363.50378	0.1
511.77219	0.1
533.13629	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	513.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	0.9
59.01384	100.0
60.01706	1.0
61.84800	0.8
61.98833	5.1
65.00333	1.2
69.03484	1.1
71.01389	31.7
72.99331	1.6
73.02954	33.6
75.00879	14.7
82.86861	0.9
83.01386	10.6
85.02946	6.0
85.60407	0.8
87.00901	1.1
89.02448	8.5
93.03445	1.8
94.30213	0.8
95.01405	1.7
98.20796	0.7
99.00923	1.9
101.02449	31.6
107.01408	2.7
107.05019	1.0
109.02980	5.0
113.02459	13.5
117.03495	2.3
119.03522	3.5
119.05041	2.3
121.02950	1.9
125.02443	2.8
131.03520	3.1
133.02982	2.6
134.03749	2.1
134.50050	0.8
135.04538	20.4
136.04842	1.3
143.03555	2.2
145.02954	6.8
145.46942	0.8
147.04468	1.2
149.04550	2.8
149.06076	1.2
151.00380	5.1
159.04507	1.4
160.20763	0.8
161.02470	21.3
161.04469	4.8
162.02728	1.8
163.00365	1.7
163.04042	1.3
175.04005	3.0
178.99881	2.1
179.03474	6.6
187.04001	1.6
199.07700	1.0
203.05576	1.1
205.01413	1.7
221.04416	0.9
227.03459	1.2
227.07195	1.9
229.52634	1.1
237.04045	6.3
241.05115	1.0
243.03012	1.9
249.14944	3.0
253.08733	1.4
255.02977	4.7
256.03357	1.7
271.02478	11.0
272.02869	4.1
274.03354	1.2
274.08740	1.1
285.04028	1.6
297.07776	0.9
300.02753	18.8
301.03418	18.3
302.03613	6.3
303.03665	6.5
304.04315	2.9
313.90601	0.9
335.01941	1.4
341.06641	1.4
393.13510	1.2
437.06503	1.8
448.09686	3.0
450.10083	13.0
451.09549	1.1
453.25140	2.9
462.10992	1.3
463.08835	7.4
464.08475	1.5
469.20557	1.8
470.23508	1.1
471.25275	1.3
513.27887	1.3
514.21796	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	513.2708
Annotation	Tricalysioside J
Peak:m/z	Relative Intensity
59.01385	29.5
69.65125	1.8
69.65529	4.5
71.01385	7.8
73.02954	3.6
75.00854	2.5
82.43311	0.7
83.01349	1.4
85.02920	3.2
89.02427	3.3
90.91346	1.1
99.00852	1.1
99.04488	1.0
101.02444	7.8
109.06569	2.3
111.04430	1.0
111.08112	0.9
113.02467	4.3
119.03494	2.1
119.04975	2.2
123.08218	1.0
125.09705	0.9
135.08163	4.6
137.06021	0.9
138.06834	1.6
145.02902	1.0
149.06042	2.9
150.06871	49.4
151.07248	1.5
153.09207	5.6
161.04506	3.2
161.09645	0.9
163.07658	29.9
164.08423	11.9
169.12312	3.0
171.10292	15.5
177.09160	1.6
178.09940	2.0
179.10786	36.6
180.11115	1.3
187.09737	0.9
201.11263	0.9
203.08179	2.5
211.07614	1.8
217.10789	14.5
291.14569	7.0
318.18143	1.3
332.19705	2.8
333.20572	5.3
336.19507	4.9
350.20978	61.6
351.21735	74.3
352.22137	5.5
375.21487	2.1
469.20801	1.7
477.28766	1.0
495.29761	4.0
513.26733	100.0
513.67822	0.8
514.27124	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	513.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	7.0
61.98833	1.4
69.27459	5.9
71.01384	3.8
73.02943	1.2
75.00877	4.0
78.95926	0.5
83.01401	1.2
85.02977	1.1
88.87752	0.6
89.02497	0.8
101.02442	2.6
107.01408	1.1
107.05048	2.5
108.02177	0.9
109.02963	32.3
110.03325	1.1
113.02464	2.2
121.02966	0.7
123.00909	1.0
123.04540	2.2
124.01697	1.1
125.02487	0.9
133.02986	0.9
134.03793	3.1
135.04535	100.0
136.04868	3.9
137.02477	0.7
139.46254	0.6
145.02959	1.1
151.00433	1.5
151.04027	5.3
152.01141	1.7
153.01952	59.1
154.02267	2.1
159.04607	1.0
161.02475	3.0
163.04027	0.6
165.02013	0.6
177.01888	1.2
179.03516	75.5
180.03905	2.9
195.03012	3.6
221.04686	0.6
225.03941	0.7
237.03995	1.7
268.03741	0.6
297.06158	49.5
298.06516	2.7
301.03412	0.6
341.08667	1.3
433.11569	3.2
449.11002	3.3
452.33453	1.1
477.10419	78.9
478.10712	9.4
513.08051	13.2
514.08014	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54185	0.3
59.01379	3.2
59.75547	0.3
61.98832	0.6
65.36665	0.3
66.99471	0.3
71.01388	0.6
73.02946	0.6
75.00877	0.5
76.20414	0.3
76.81746	0.3
78.95909	100.0
96.96967	5.1
101.02448	0.4
123.08137	0.6
125.09726	3.1
139.04227	0.3
151.07649	0.8
152.99557	1.1
171.00648	81.3
172.01062	1.5
220.25763	0.3
265.49619	0.3
311.74954	0.3
327.21420	0.3
340.24823	0.3
358.26016	0.6
425.32202	0.5
425.37042	0.4
451.34286	1.5
469.35764	1.6
512.26276	6.7
512.33240	0.6
513.26996	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.8
59.57979	0.3
61.31299	0.3
61.98841	0.8
62.96415	0.3
65.08382	0.3
69.26947	3.1
69.86291	0.3
72.76797	0.3
73.02951	0.9
73.35527	0.3
74.02452	0.3
75.00885	0.6
78.95908	100.0
86.42418	0.3
88.33327	0.2
96.96967	6.4
101.02441	0.3
112.50667	0.3
113.02457	0.4
117.56834	0.3
125.09718	1.8
145.02884	0.3
151.07584	0.3
152.99600	0.7
158.00705	0.4
171.00645	79.0
172.00966	1.2
262.45181	0.3
266.87592	0.3
368.14047	0.4
425.36386	0.4
451.34402	1.3
469.35538	1.5
498.19333	0.3
512.26184	7.0
513.26544	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.1
58.00594	1.5
59.01382	100.0
60.01719	1.1
60.13611	0.6
60.99311	0.8
61.98835	4.5
67.56077	0.6
69.03452	1.9
70.74432	0.6
71.01385	54.3
71.61655	0.8
72.99313	2.8
73.00633	0.6
73.02950	79.0
74.03295	1.0
75.00880	4.2
78.95927	0.7
81.03498	1.2
83.01389	21.5
83.05021	0.8
85.02961	6.7
87.00881	1.7
88.98809	3.8
89.02447	8.2
93.03464	3.2
95.01403	2.3
97.02942	1.1
99.00888	1.0
99.04564	0.9
101.02448	54.7
105.07108	1.3
106.04292	0.8
107.05016	3.3
109.02988	1.7
109.06605	0.6
113.02453	17.1
119.03513	2.8
119.04996	0.8
125.02462	3.2
131.03491	4.3
133.06596	16.2
135.04524	1.0
135.08220	0.7
136.05194	0.7
139.04079	1.1
143.03528	3.0
145.02907	1.1
145.14929	0.6
149.04562	2.8
149.05954	0.8
155.03513	1.8
159.04521	2.0
161.02458	0.8
161.04568	6.9
171.10284	0.7
173.06090	0.8
194.26205	0.8
194.40041	0.6
201.11250	1.5
203.05537	0.8
215.10759	0.9
217.12457	1.5
221.06694	1.0
227.07181	1.2
245.11879	5.0
257.08249	1.4
289.10818	94.1
290.11151	7.1
313.19745	0.7
391.12033	0.8
449.29449	0.9
493.28162	2.1
511.18179	2.6
511.29474	5.2
528.03009	0.7
537.82324	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2914
Annotation	Integristerone B
Peak:m/z	Relative Intensity
55.01878	0.8
57.03446	2.3
59.01098	1.5
59.01384	27.0
61.98832	8.5
62.17537	0.9
69.54782	1.5
69.55189	3.7
71.01373	5.0
71.05009	1.2
71.30809	0.7
72.48710	0.8
73.02960	3.6
75.00882	5.0
83.01389	0.9
83.05022	2.4
85.02941	1.6
87.00867	1.3
87.04514	1.6
88.98820	1.2
89.02451	2.9
89.03014	0.7
93.03455	1.8
95.01392	0.9
97.06597	5.2
99.04527	2.9
101.02444	2.7
107.05023	1.1
109.02966	2.0
109.06596	17.7
111.04507	4.9
111.08133	2.1
113.02443	2.8
117.25783	0.7
119.03506	1.4
119.05045	0.9
121.02963	1.8
123.04547	4.2
123.08157	9.1
125.06068	1.6
125.09714	2.5
127.07605	1.7
135.04527	1.7
135.08173	16.2
136.05293	4.4
138.06866	6.6
139.04036	1.1
141.09227	1.3
145.02963	2.1
149.06058	3.4
150.06880	1.2
151.07614	3.4
152.04778	0.9
153.09219	37.7
154.09561	2.0
158.70641	0.7
159.04469	2.1
161.04526	1.6
163.07686	1.0
165.96539	0.7
187.09729	6.7
201.11340	3.2
217.10812	100.0
218.11127	4.2
275.13193	0.7
289.18057	1.5
293.17599	16.1
294.17743	1.0
339.21600	1.7
349.20309	1.1
363.21878	1.6
429.26404	1.6
431.28101	2.1
437.29446	0.9
447.27432	4.2
449.29459	4.2
451.23483	2.4
457.25790	0.8
467.30148	2.5
475.27094	2.5
493.28070	27.7
494.28354	3.5
511.29175	73.4
512.29596	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	512.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26032	0.3
61.98833	100.0
68.73320	0.2
71.16741	0.6
117.03438	0.3
117.27610	0.3
129.64517	0.3
145.02950	2.1
150.64740	0.3
183.07349	0.3
345.75525	0.3
357.20779	0.6
359.80063	0.4
449.25571	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	512.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84647	0.3
59.75386	0.3
61.74746	0.2
61.98833	100.0
65.38099	0.3
71.16701	0.4
71.17030	0.3
76.04063	0.3
78.95924	0.4
94.40581	0.3
101.24514	0.3
117.21827	0.3
145.02995	1.3
222.27347	0.3
229.18170	0.3
276.20490	0.4
308.81870	0.3
449.25430	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.0
70.03329	1.0
71.01394	3.3
71.03486	1.0
72.00908	3.4
75.00862	2.4
81.28675	1.1
83.01371	1.2
85.67896	1.2
93.03461	15.5
100.00414	16.2
101.02438	1.4
116.05086	11.3
117.03470	5.1
119.05034	73.6
120.05337	2.7
125.02432	3.1
128.05061	2.1
129.05923	1.2
130.06627	13.1
132.05821	2.0
142.06621	19.2
144.04489	1.5
144.27055	1.1
145.02963	32.5
146.03290	2.0
146.06146	10.3
147.04550	6.7
148.07697	4.0
154.06635	1.5
157.07727	44.7
159.09288	14.7
162.05661	7.4
167.03526	1.7
171.09390	1.5
174.05591	8.6
176.07172	7.5
181.07733	5.1
182.41370	1.1
185.07240	1.9
186.05640	13.2
188.84186	1.1
197.06036	3.7
199.08775	4.5
203.08287	1.4
211.08835	1.7
215.07211	2.1
217.05019	1.2
220.06183	2.1
225.05557	2.4
227.03522	3.2
229.01422	3.3
229.06189	98.3
230.06503	5.6
241.05173	5.8
243.06602	4.2
251.03465	1.7
262.12473	3.1
267.03015	1.6
269.04541	5.2
277.13449	5.9
305.09357	2.0
305.12955	42.4
306.13293	3.7
349.11945	100.0
350.12195	10.4
373.05832	3.4
389.06616	3.0
391.12799	1.8
394.97751	1.3
417.06076	2.0
421.23245	1.4
435.07281	5.1
453.08386	3.5
511.08887	3.3
511.17145	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	511.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.7
57.03438	1.6
59.01384	48.7
61.98839	6.4
69.03444	2.2
69.53815	2.5
69.54246	3.2
71.01387	13.9
72.99319	1.4
73.02952	12.6
75.00879	3.9
83.01394	3.2
83.05016	4.5
85.02953	4.2
87.00883	3.9
87.04488	1.8
89.02448	2.2
91.05557	0.8
93.03453	2.5
95.01370	2.4
95.05045	1.8
97.02975	2.1
97.06580	0.9
97.72477	0.8
99.00890	1.1
99.04500	0.9
101.02448	9.5
106.04263	0.9
107.05025	2.7
108.02182	1.0
109.02957	2.0
109.06581	2.9
111.04510	5.0
113.02472	4.7
119.03450	1.2
119.05005	2.8
119.77723	0.7
121.02962	9.7
121.06644	1.1
122.03709	2.5
123.04523	2.5
123.08196	1.0
125.06019	1.2
126.99837	0.7
127.04021	1.4
127.07667	0.7
133.06590	2.0
135.04485	3.0
135.08162	5.8
137.06082	0.8
137.09724	1.6
145.02957	1.6
145.06601	1.3
147.04527	8.1
148.00616	0.8
148.05254	0.7
149.06023	1.4
153.05627	0.9
159.04483	2.6
161.02467	1.7
161.06076	4.9
161.09810	0.8
163.07625	2.8
173.05873	0.8
175.11249	3.0
177.09300	1.6
179.07098	2.4
185.09706	2.3
187.11224	1.8
189.05556	0.9
189.09186	2.2
201.05682	0.9
201.09560	0.9
201.11292	3.4
203.07126	3.3
203.10777	5.2
213.09178	2.0
229.08652	1.1
231.10260	22.2
245.04489	1.3
245.11894	5.1
247.09691	1.2
263.12888	2.6
275.09244	37.1
276.09512	2.2
277.10764	1.0
279.02954	0.9
280.00558	0.8
287.16342	1.1
289.10861	6.6
289.18057	2.5
290.11218	1.1
293.10181	2.2
295.06165	0.8
305.17526	2.9
307.11880	42.2
308.12177	2.5
365.14755	0.9
399.23810	2.0
451.16086	11.2
451.22412	1.3
467.30847	1.0
469.17212	15.6
470.17493	1.7
479.15463	3.0
487.12756	0.9
493.28159	2.2
511.18182	100.0
511.29984	8.5
512.18640	9.8
512.29639	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.4
61.98846	0.8
67.29665	0.8
69.30965	1.8
69.31373	5.5
71.01395	1.1
71.19063	0.7
72.00910	8.0
75.00899	1.5
93.02925	0.8
93.03464	3.4
93.54991	0.8
98.19873	1.7
100.00414	47.8
100.82516	0.8
101.00756	1.3
116.05082	7.6
117.03478	8.1
119.05035	81.5
120.05375	1.9
130.06636	9.6
142.06628	46.5
143.07001	1.8
145.02966	57.7
146.03268	1.6
146.06174	4.1
147.04507	3.9
157.07710	13.2
158.06123	1.3
159.09296	5.9
162.05647	2.0
174.05614	4.1
176.07201	3.0
177.31773	0.9
181.07732	2.2
185.07193	3.9
186.05614	30.6
187.06000	2.4
199.08763	1.2
203.08301	2.0
220.06128	2.1
229.06186	78.3
230.06577	5.0
242.58629	0.9
259.98886	0.9
271.02444	0.9
277.13525	1.0
301.03229	2.5
302.03854	1.4
305.12961	7.9
307.07809	1.0
349.11935	100.0
350.12305	8.5
391.12805	1.2
448.09534	3.5
511.17230	87.9
512.17645	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	510.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.5
61.98835	100.0
65.69093	0.3
69.47318	2.4
74.75925	0.3
78.20924	0.3
98.20637	0.4
126.75484	0.4
135.97665	0.3
189.49751	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
68.16573	4.1
68.76242	4.0
69.47122	7.1
69.47529	27.1
98.20623	4.9
144.34779	5.4
349.22964	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93890	0.6
63.30581	0.7
65.00336	1.1
69.39826	0.6
69.80692	4.0
75.00873	5.2
83.01413	0.8
83.43150	0.6
98.19963	1.1
100.84077	0.7
115.05540	1.2
117.03468	0.8
130.04272	2.0
131.05006	5.7
133.02966	2.5
135.04546	11.7
141.03458	1.4
143.05051	2.8
145.02997	7.8
158.03786	3.3
158.54988	0.7
159.04533	100.0
160.04881	4.5
161.02472	10.2
173.06071	1.3
183.04570	4.6
201.05602	38.2
202.05939	2.2
215.54521	0.6
221.04645	1.4
237.04036	1.5
245.04555	73.7
246.04878	3.5
255.06213	0.7
266.07321	0.7
268.81119	0.7
272.84924	0.6
312.23535	0.7
326.05014	0.8
364.37555	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64567	1.6
54.02628	1.5
54.82548	1.8
57.87870	1.5
61.98837	15.2
89.55556	1.7
100.37865	1.8
107.01412	3.2
111.87501	1.9
124.44298	1.8
151.00378	14.5
154.01283	1.6
169.63672	1.8
178.99796	5.2
179.68980	1.6
179.91347	1.7
195.97469	1.8
229.41359	3.1
243.02954	6.9
245.04427	2.2
255.03008	19.6
271.02490	38.2
272.02951	3.1
300.02759	75.1
301.03519	52.3
302.03833	2.4
447.09335	100.0
448.09610	10.0
479.04428	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	510.089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	5.5
61.98833	97.7
64.10081	1.2
71.62024	1.3
72.17886	1.3
75.00867	3.2
78.05223	1.2
81.35912	1.3
113.02373	1.2
123.00880	1.3
125.99147	1.4
145.02916	2.1
148.57341	1.2
156.12054	1.3
163.04031	1.4
172.34645	1.3
177.05547	2.6
187.03850	1.5
193.05032	1.7
227.03510	28.1
228.03838	1.9
255.03006	46.7
256.03552	5.1
257.04242	1.6
284.03262	57.2
285.04031	16.7
307.10233	1.5
428.84177	1.5
447.09341	100.0
448.09589	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	509.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01401	2.7
61.98814	0.6
75.00883	0.7
93.03469	0.6
108.02224	0.7
117.03471	5.1
119.05047	3.4
121.02965	100.0
122.03312	2.3
145.02963	32.5
146.03317	1.1
157.86853	0.8
163.03976	1.7
192.75320	0.5
259.09607	0.7
271.22778	5.0
313.23883	2.6
331.26419	1.5
347.25970	1.1
399.25278	5.2
400.25586	0.9
417.21259	1.0
417.26505	11.1
418.26852	0.8
435.27438	1.8
447.09470	0.8
491.30179	14.7
492.30481	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	509.2886
Annotation	CHEBI:68981
Peak:m/z	Relative Intensity
52.93032	0.6
58.19709	0.6
61.98826	0.9
70.12146	1.3
70.12538	2.3
78.95907	18.2
80.95997	0.7
89.29173	0.6
90.16244	0.5
96.96957	1.8
101.67146	0.5
108.70037	0.6
114.35916	0.5
134.11446	0.7
150.97995	0.8
152.99594	33.8
171.00641	1.8
203.34932	0.6
213.91292	0.7
227.03282	4.6
245.04308	1.3
281.24857	100.0
282.25204	10.4
308.04919	0.6
319.59021	0.7
417.24176	0.9
509.28842	58.5
510.29202	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3118
Annotation	Palythoalone A
Peak:m/z	Relative Intensity
51.40318	1.2
51.41286	1.0
51.46962	1.1
57.03437	2.1
59.01388	12.0
61.98832	1.9
71.01358	1.5
71.61848	1.9
73.02950	1.3
75.00877	9.8
77.38084	1.3
81.03447	1.0
82.95432	2.1
83.01386	1.1
83.05029	1.3
97.06593	1.7
109.06589	2.4
121.06542	1.6
123.08136	1.9
125.02453	3.0
125.09794	1.3
135.04521	2.0
135.08134	3.5
136.05319	10.6
137.06105	1.3
138.03195	1.4
141.09224	1.6
148.05305	35.5
149.06134	12.0
150.06897	1.7
151.07639	2.1
153.09206	3.4
159.04501	1.3
160.08434	1.5
160.33432	1.1
162.06868	5.1
163.07661	20.9
164.08025	1.3
165.05537	1.5
178.15077	1.5
261.18512	2.5
273.18637	4.4
279.02945	3.5
279.19531	2.3
305.17712	1.4
316.21051	1.2
345.22797	31.0
346.22943	2.8
359.30978	1.6
392.22543	1.2
425.21548	2.1
445.29794	2.9
447.09393	2.1
465.28354	2.3
491.30173	24.4
492.30508	1.7
509.31177	100.0
510.31522	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	509.224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75334	4.1
59.01383	100.0
61.98832	14.1
66.88345	3.6
69.87893	14.1
71.01381	20.8
73.02956	10.4
74.93360	3.5
75.00877	30.8
78.95898	4.4
83.01380	3.9
85.02952	10.4
89.02454	4.9
98.19834	4.0
99.00901	5.7
101.02458	15.8
113.02453	11.6
115.84461	4.1
148.05316	13.1
161.04581	4.6
191.03423	4.5
257.92102	4.3
291.18204	20.9
339.60019	3.6
371.14923	4.8
423.22403	15.7
465.23499	11.3
492.12393	4.1
509.28516	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	509.2391
Annotation	Tricalysioside A
Peak:m/z	Relative Intensity
57.03447	0.8
59.01385	12.7
61.98831	1.2
69.95439	0.9
69.95844	2.6
71.01386	4.6
72.99310	0.9
73.02953	1.0
75.00868	4.5
83.01379	0.8
85.02939	1.1
89.02432	2.9
96.95996	1.8
97.06625	0.6
98.19969	0.8
99.00848	0.8
99.71340	0.5
101.02454	2.8
109.77496	0.5
111.04464	0.6
113.02478	1.5
119.03510	1.0
123.08070	0.7
125.09737	0.7
130.36732	0.5
135.04552	0.9
135.08145	1.8
137.06113	0.7
137.09737	1.1
138.03244	0.6
146.03691	0.8
148.05273	1.3
149.09714	0.6
161.82382	0.6
165.05600	3.1
165.09233	3.8
167.14435	0.6
180.63028	0.5
192.04187	0.5
217.10794	1.1
233.08214	0.7
241.15958	4.2
243.17372	0.8
255.17595	0.8
257.19202	2.9
259.20554	0.7
279.02936	1.1
285.18631	2.2
301.18097	9.1
302.18399	0.6
303.19629	2.0
305.17523	0.7
329.17563	12.7
330.17853	1.5
335.18552	3.5
347.18625	4.2
447.09055	0.9
447.26883	1.0
465.28552	1.2
472.13449	0.6
509.23901	100.0
510.24176	12.0
510.31503	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80174	1.9
71.01389	3.0
71.61182	4.1
72.99334	1.9
75.00868	5.6
93.03486	3.3
97.02953	3.6
109.02959	56.8
117.03468	3.2
119.05020	13.9
119.12202	1.7
121.02980	3.9
131.05034	3.3
133.02950	3.7
134.03697	2.0
135.04532	100.0
136.04872	3.4
143.05031	7.3
145.02966	9.6
145.06563	2.4
147.04543	9.6
148.05305	5.6
149.04897	3.8
149.06087	67.1
150.06422	2.9
151.04021	4.7
154.49484	2.0
159.04498	4.0
161.02461	5.8
161.06076	24.6
163.04076	5.8
163.07607	4.9
165.05524	4.8
171.04538	10.2
172.05217	2.1
173.06044	3.3
174.03226	8.3
175.03998	9.7
177.05589	23.9
179.03477	7.7
180.35370	2.0
185.02190	24.7
187.03925	2.0
188.04768	3.0
189.05574	92.0
190.05911	4.8
191.03511	3.1
191.07062	3.9
195.43488	2.1
199.03752	2.8
207.06633	84.4
208.06905	3.5
219.06656	4.2
221.04564	19.3
231.06541	9.5
235.06177	10.3
239.05569	8.4
243.02737	34.8
249.07553	5.4
251.05553	5.3
271.08221	4.5
297.09756	6.3
311.07690	9.8
311.11017	3.4
369.11853	10.1
383.09726	4.0
397.11731	2.2
401.10846	14.1
411.13058	3.6
413.10895	71.9
414.11029	6.3
415.12363	5.7
443.12015	13.4
455.12042	3.3
473.13037	48.0
474.13297	4.9
509.11285	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2961
Annotation	Carthamoleusterone
Peak:m/z	Relative Intensity
55.17511	2.0
59.01380	17.5
60.55735	2.3
61.98830	4.2
70.50398	4.0
70.50767	4.4
71.01391	2.5
75.00890	2.5
90.52717	2.1
96.96038	2.2
99.04536	2.0
119.05000	6.0
123.08183	6.5
125.07130	2.2
135.04575	2.4
136.05301	24.8
137.09787	2.2
139.07674	2.3
148.05315	36.9
149.06091	11.3
150.06842	4.5
150.82777	2.0
162.05573	2.1
162.06871	6.5
163.07639	26.5
165.09180	6.8
170.09375	3.9
172.10919	7.9
189.48441	2.5
191.10757	3.0
200.02631	2.2
201.11363	4.7
215.29407	2.1
224.69484	2.3
228.10521	2.4
245.12897	2.1
261.18646	3.2
262.15564	3.6
273.18689	2.3
343.21185	38.0
344.21481	3.0
401.21960	12.1
489.28516	29.5
490.29083	4.3
507.30246	100.0
508.30615	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	509.107
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68489	2.2
59.01363	4.2
59.97876	2.1
67.20999	1.8
71.01371	7.3
71.11861	2.7
72.99310	3.8
75.00882	5.4
85.02962	3.5
89.02448	3.7
92.92798	5.0
92.96024	3.9
93.75207	2.0
97.02926	2.2
97.46324	1.8
101.02428	3.0
102.14857	1.8
109.02967	39.7
111.00921	3.8
113.02462	11.9
114.98886	6.0
119.05037	4.5
123.04549	3.3
124.56144	1.9
127.03905	2.3
127.62505	1.9
131.04936	3.5
133.02956	6.4
135.04536	90.6
136.04823	3.0
143.05089	4.6
145.02997	3.5
146.03734	2.1
147.04527	2.9
148.05357	3.3
149.04614	4.0
149.06093	55.5
150.06509	2.4
151.04010	2.5
154.44136	2.0
159.04610	3.8
161.06067	22.1
163.04002	3.2
163.07669	3.2
165.02014	2.4
165.05563	7.7
170.97865	4.6
171.04492	9.3
173.06036	4.3
174.03192	7.5
175.03998	8.6
177.04199	2.5
177.05569	67.0
178.05913	2.7
179.03477	4.7
188.04802	3.7
189.05586	100.0
190.05869	5.9
190.26210	2.1
191.03445	4.9
201.05475	5.0
203.01974	5.8
203.03563	5.9
207.04648	3.1
207.06627	64.6
208.06854	3.6
219.06541	2.9
221.04535	36.4
231.06601	9.1
235.06091	9.1
239.05553	8.7
249.07692	8.1
251.05537	6.5
267.08682	7.2
297.09802	2.4
299.00500	5.8
311.07745	58.6
311.11075	4.3
312.08142	3.2
351.10776	5.8
369.11752	7.0
383.09875	6.1
395.09766	3.6
401.10776	9.0
411.12781	3.1
413.10928	62.6
414.11230	4.8
415.12503	4.9
443.11880	13.5
455.11804	4.5
473.13049	72.4
474.13330	8.6
481.05997	6.2
509.05585	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	507.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55283	0.3
56.43123	0.3
59.01387	0.8
78.95917	3.3
85.58924	0.3
90.91439	0.4
96.96026	0.6
106.04276	0.5
111.00845	0.5
117.03475	1.7
121.02985	0.8
123.04530	0.5
128.98233	0.3
132.02164	0.8
133.02965	26.1
134.03778	6.0
135.04530	16.6
137.02461	3.4
138.56140	0.3
139.04018	0.6
148.05341	0.8
150.03265	0.5
152.99591	4.6
159.04544	1.5
160.01678	0.5
161.02452	100.0
162.02798	4.0
178.02771	0.9
179.03523	4.0
201.05513	0.4
225.22227	0.8
227.03246	0.6
235.06192	0.6
245.04477	1.8
245.94644	0.3
271.22806	8.1
272.23071	0.7
279.23300	23.0
280.23560	1.7
281.24936	1.2
282.25287	1.6
347.25812	7.9
348.26364	0.9
371.25873	1.1
387.25238	0.4
415.24908	45.8
416.25259	4.8
433.25977	15.5
433.32159	0.4
434.26355	1.9
507.29633	82.3
508.30002	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	507.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39183	0.2
59.01379	0.8
69.32620	1.5
69.33031	0.7
71.01363	0.3
71.34016	0.2
74.14320	0.2
89.02429	0.4
91.04034	0.4
105.03492	0.3
106.04248	0.3
107.05048	0.5
117.03471	1.3
121.02941	0.4
123.04501	0.4
132.02174	1.0
133.02959	24.2
134.03775	6.0
135.04529	15.5
136.04858	0.6
137.02452	3.5
139.04004	1.0
141.54958	0.2
148.05276	0.4
150.03140	0.3
151.69464	0.2
152.99631	0.4
160.01785	0.3
161.02448	100.0
162.02776	3.6
178.02701	0.9
179.03508	4.9
225.22284	0.5
235.06073	0.5
271.22778	8.6
272.23138	0.5
279.23221	1.6
303.15958	0.3
345.20731	0.3
347.25885	7.5
348.26132	0.9
371.25928	0.6
415.24899	44.1
416.25180	5.0
433.25909	14.0
434.26306	1.6
464.43250	0.3
507.29626	72.8
508.29959	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	507.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68539	0.4
57.76922	0.5
59.01389	0.6
71.03427	1.0
71.03751	0.6
78.95909	20.6
90.68819	0.5
96.96970	1.6
150.98024	0.7
152.99603	33.7
153.99995	0.5
161.02466	1.0
167.46155	0.5
171.00636	1.9
227.03297	4.9
245.04379	1.4
279.23303	100.0
280.23654	8.7
361.12201	0.8
415.22675	1.1
455.52155	0.6
507.27304	59.4
508.27600	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.0
57.03446	0.9
58.00604	1.0
59.01384	54.6
59.62244	0.4
61.98840	0.7
68.53471	0.4
69.03481	0.5
69.36022	3.7
71.01385	10.1
72.99310	1.7
73.02950	4.4
75.00874	3.1
80.52509	0.4
83.01398	2.7
83.01804	0.4
85.02959	5.7
87.00883	1.6
89.02460	2.0
91.33646	0.5
95.01401	0.9
99.00888	1.5
101.02452	7.6
102.02715	0.4
111.00910	0.7
113.02448	3.9
113.09708	0.8
119.03428	0.6
119.05042	0.7
122.06120	1.1
125.02457	1.6
128.38980	0.5
132.04559	1.3
133.05354	0.5
143.10773	0.7
145.02994	1.2
158.36073	0.4
161.04559	1.6
162.02708	0.4
163.03963	0.6
170.08931	0.5
171.10223	1.1
198.08092	0.5
198.86946	0.5
212.10884	0.8
243.15800	0.5
255.11389	2.0
285.20685	2.7
299.10175	0.4
301.16647	0.8
301.20148	0.8
303.21765	11.4
304.22137	0.8
315.21811	0.5
343.09509	0.7
345.22852	2.6
361.10522	6.7
362.10837	0.6
405.24875	0.6
429.25095	0.7
447.26505	8.4
448.26324	1.4
465.27066	17.5
466.27484	1.5
468.83582	0.5
489.26886	2.5
497.61533	0.5
507.28122	100.0
508.28497	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	507.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75233	0.3
59.01383	100.0
60.01710	0.9
61.23665	0.4
69.74211	0.4
71.01392	1.7
73.02970	1.1
75.00876	0.6
85.02959	1.1
89.02440	0.8
101.02461	1.8
113.02486	1.7
113.06979	0.5
134.96701	0.4
138.75021	0.4
145.02972	1.4
170.29434	0.4
243.15930	0.5
387.20389	4.1
438.01587	0.4
447.22238	4.4
471.15411	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24596	0.5
59.01384	100.0
60.01723	0.9
66.62530	0.5
69.83986	3.2
71.01385	2.2
73.02967	2.2
86.56775	0.5
89.02470	1.2
101.02472	2.0
110.78750	0.5
111.22646	0.5
113.02469	1.7
153.09221	0.7
158.80283	0.6
161.04543	0.8
201.14264	0.6
226.04521	0.5
240.64912	0.6
243.16066	0.9
249.16985	0.6
327.58585	0.6
387.20340	3.3
405.21484	2.1
447.22290	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	73.0
60.99323	15.8
61.98825	5.3
69.51955	21.5
71.01375	14.9
73.02942	7.2
73.52557	2.9
75.00879	10.6
81.03454	3.2
83.01408	4.4
85.02964	3.8
87.00881	4.4
88.00417	11.4
88.98816	100.0
89.00700	2.7
89.02454	67.7
89.60590	3.0
98.20654	5.4
101.02467	10.1
107.97569	3.4
113.02428	3.3
119.04951	2.8
120.13110	2.8
122.09794	3.0
138.05653	4.6
161.04585	3.0
161.06056	2.9
255.50012	3.8
303.13403	7.1
310.68518	3.5
345.23114	3.7
368.99359	3.2
507.27603	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	507.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.7
57.03459	2.2
58.00607	0.5
58.78671	0.3
59.01383	100.0
60.01719	1.2
62.89263	0.4
65.03986	0.4
67.01912	0.6
68.99829	0.8
69.03455	2.4
71.01388	20.4
71.38670	0.6
72.99306	2.0
73.02953	6.2
75.00903	0.5
81.03461	2.2
83.01398	5.0
83.05019	0.7
85.02958	19.1
87.00878	2.9
89.02454	2.6
93.03481	1.5
95.01394	3.6
97.02954	4.8
99.00887	12.8
99.04545	1.2
100.01688	0.5
101.02448	16.3
107.54656	0.4
109.02966	5.0
111.00896	5.2
111.04529	1.2
112.01690	1.0
113.02458	38.7
114.02781	0.6
115.04021	0.5
121.03027	0.5
125.02457	9.1
127.03992	1.8
128.01157	0.7
129.01924	2.3
131.03543	1.3
135.86534	0.3
137.02451	2.9
139.04051	1.3
143.03516	14.3
144.03851	0.7
144.19383	0.4
149.02403	0.4
151.04086	0.5
155.03551	2.3
159.03003	0.5
161.04601	2.0
163.06163	1.2
165.94026	0.5
167.03566	1.4
171.13980	1.2
172.05049	0.4
185.04593	0.8
215.05644	5.2
245.06621	2.9
257.06778	1.1
273.16934	0.5
275.07767	4.7
291.18146	6.4
292.18658	0.5
333.19202	3.5
357.19330	0.7
405.21298	17.7
406.21841	1.4
423.22363	24.8
424.22629	2.0
447.22269	4.6
465.23428	11.5
466.23883	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00976	0.2
59.01385	18.8
61.98838	0.4
66.11314	0.2
68.99847	0.2
69.03467	0.2
69.51672	1.5
71.01372	0.6
72.99304	0.7
73.02937	0.4
75.00869	1.6
83.01406	0.3
85.02943	0.4
89.02431	0.3
93.03449	0.6
99.00879	1.0
99.12653	0.2
101.02428	0.6
108.01441	0.5
108.02178	9.2
108.95618	0.2
109.02969	0.7
111.00900	0.2
113.02450	0.4
117.03465	0.5
119.05038	0.6
121.02955	0.6
133.06575	1.5
135.04471	0.4
137.02434	0.3
138.01979	100.0
139.02336	2.9
140.07185	0.8
145.02997	0.6
145.06638	0.3
146.68532	0.2
147.04515	0.7
159.04518	0.7
161.02444	0.3
161.04555	0.3
171.04514	0.6
171.06667	0.2
173.02513	0.3
173.06128	0.4
174.02808	0.3
177.01880	0.4
177.05533	0.4
186.02826	0.3
186.64981	0.3
187.04036	1.0
187.07611	0.5
188.32349	0.3
189.05659	0.5
203.03453	0.3
215.07222	0.6
221.04456	0.4
241.05066	0.3
254.05666	0.3
255.06569	0.4
257.07980	0.3
267.06705	0.3
275.05695	1.3
280.06967	0.3
293.04529	0.3
294.05188	0.3
295.05655	0.4
303.05081	0.8
307.06024	0.5
308.06567	0.5
344.04843	0.3
344.12466	0.3
404.12256	0.3
407.10178	0.4
430.10031	1.6
447.22394	0.6
479.12000	0.4
506.22351	0.3
507.10599	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40701	1.2
51.02811	1.1
59.01376	1.8
61.98780	1.3
69.88416	5.7
83.67621	1.4
85.24400	1.0
98.19928	1.4
99.92586	11.6
111.32005	1.1
115.92071	1.5
116.92870	100.0
117.92846	3.6
118.89952	1.8
132.41568	1.2
145.02928	2.2
177.98520	1.3
187.45377	1.1
194.09587	1.5
235.20638	1.6
245.73114	1.2
259.20721	3.3
301.21671	3.7
303.19662	1.7
345.20541	3.9
389.19711	25.6
390.19965	3.0
472.12131	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2576
Annotation	Amoritin
Peak:m/z	Relative Intensity
59.01380	2.0
65.31895	0.5
69.64332	0.5
70.63415	1.7
71.25896	0.6
78.95909	28.3
83.29211	0.6
96.96918	1.5
121.51879	0.6
140.57573	0.6
152.99599	42.0
171.00700	1.8
227.03268	6.1
245.04327	1.4
259.20581	0.8
277.21741	100.0
278.22046	8.6
413.20999	1.4
505.25742	64.5
506.25937	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	505.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49430	0.4
53.74398	0.4
56.03056	0.4
59.01392	1.9
61.26822	0.4
65.28661	0.4
69.49558	1.8
69.49984	1.2
70.44412	0.4
78.95911	12.0
96.96958	1.1
98.20593	0.9
119.56834	0.4
152.99599	20.1
153.47411	0.4
161.02492	0.5
171.00655	1.7
224.95154	0.4
227.03218	3.5
245.04364	2.1
259.20654	0.5
275.20416	0.8
277.21722	100.0
278.22067	8.0
336.28244	0.4
351.17764	0.4
351.50580	0.4
429.09598	0.6
484.99817	0.5
505.25729	31.6
506.26083	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57673	0.9
52.77925	1.0
55.02763	0.9
57.03450	2.2
59.01382	42.0
60.01718	1.5
61.98815	2.4
71.01382	7.2
71.61739	1.0
72.99303	1.1
73.02955	1.4
75.00864	2.6
81.03465	1.2
83.01368	4.5
85.02955	2.8
89.02440	1.3
89.11690	0.9
95.01373	3.6
99.00864	3.4
101.02441	2.8
105.01941	6.5
109.02958	1.4
111.00880	8.3
113.02442	3.3
115.19756	1.1
121.02920	1.9
123.00854	2.0
123.04481	1.7
125.02463	4.4
127.00369	8.4
129.01007	1.0
129.01921	3.1
133.06601	1.1
135.04491	2.7
137.02426	1.2
139.00354	1.7
141.01886	1.3
145.02966	1.0
147.34239	0.9
149.02411	0.9
157.01398	5.9
161.02422	1.3
161.04570	1.4
166.99811	2.5
167.14378	3.0
173.02455	1.1
191.14366	4.0
193.50253	1.0
207.17526	3.0
216.44266	1.0
231.17575	9.3
233.15451	3.1
249.18460	1.8
259.16968	1.8
271.17029	1.2
273.18631	8.7
275.16504	5.3
277.14429	1.5
285.18469	1.8
287.16565	2.0
293.17609	1.8
301.18094	2.6
307.06018	1.8
317.17587	16.9
318.17822	1.8
319.15451	2.2
329.17490	3.9
345.16968	1.1
355.15536	2.9
361.16553	100.0
362.16876	10.8
373.16495	2.6
399.13968	1.4
433.18555	1.9
445.31546	1.7
461.18427	1.8
461.27728	1.2
463.32657	3.2
477.17581	2.4
495.74371	1.1
505.17062	4.1
505.30630	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.0
59.26014	0.5
61.98814	0.8
67.83363	0.6
71.61407	0.6
71.61764	0.8
75.00875	0.6
87.43500	0.6
94.61153	0.6
101.94933	0.5
104.17094	0.6
121.02966	100.0
121.14569	0.6
122.03303	2.4
159.04517	0.7
162.06839	0.7
180.05821	0.7
181.06630	3.2
197.06073	2.0
207.04503	1.5
223.03963	0.9
225.05547	2.5
257.09653	1.0
269.13873	0.6
313.07181	4.8
357.06259	1.3
382.10751	0.6
383.07660	1.4
417.09747	9.4
429.10443	0.6
505.11368	7.6
506.12003	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05114	0.4
59.01382	7.3
61.98825	1.3
66.48874	0.4
71.01376	1.2
72.99301	0.6
73.03007	0.4
75.00878	32.9
85.02951	0.6
89.02425	0.6
93.03459	5.0
98.19846	1.0
101.02497	0.5
108.02163	1.1
109.02961	17.5
109.62336	0.4
110.03355	0.4
111.53405	0.4
113.02415	0.5
117.03461	1.9
119.03558	0.4
119.05025	1.6
120.68018	0.4
121.02964	35.5
122.03273	1.2
123.04546	3.6
124.96667	0.4
129.03491	1.0
133.03015	1.8
135.04546	5.8
141.03459	0.8
141.07063	0.5
145.02959	21.0
146.03607	1.3
147.03503	0.6
147.04549	6.5
149.02370	0.5
157.02962	5.4
158.03700	1.6
159.04529	13.5
160.04842	0.6
161.02458	17.0
162.02811	1.0
163.04048	1.1
166.59404	0.3
167.05086	0.4
169.06593	1.1
171.04500	0.8
173.02446	46.1
174.03207	9.6
175.04018	7.2
179.03464	0.8
180.05782	0.5
183.04488	0.8
185.02446	44.7
185.06027	1.8
186.03004	4.0
187.04008	3.9
193.06581	0.5
195.04556	1.1
196.05296	1.2
197.06119	3.8
198.03229	2.9
199.03926	1.1
199.07684	0.7
201.05515	0.5
203.03506	13.9
208.05312	0.8
209.06097	3.0
211.04001	1.2
211.07454	0.5
213.05577	1.3
217.06764	0.6
219.04501	0.8
220.05188	0.8
221.06171	0.9
222.06964	0.4
223.03957	0.8
223.07649	1.0
224.04724	2.8
225.05579	10.8
226.06183	1.2
227.07100	1.6
232.05307	1.3
233.06073	3.0
235.03918	1.1
235.07617	1.2
236.04732	1.1
237.05734	6.4
238.06262	2.8
239.03510	1.6
239.07248	0.6
240.04222	1.4
241.05080	3.9
242.05833	1.3
243.06636	22.4
244.06905	1.3
245.06096	1.1
247.03963	1.7
248.04826	2.7
249.05650	2.8
250.06325	1.0
251.03452	0.8
251.07089	2.1
252.04280	1.4
253.05074	30.5
254.05820	14.5
255.06627	23.8
256.06958	1.5
260.04819	1.1
261.03970	8.3
261.05798	5.2
262.06488	2.4
263.03558	0.7
263.07135	2.5
264.04272	2.6
264.07877	0.7
265.05084	5.7
265.08713	0.7
266.05835	3.2
267.06631	4.9
269.04568	1.1
272.04819	0.7
273.05530	0.8
274.06247	1.0
275.03928	0.5
275.07111	1.0
276.04327	6.3
277.05032	8.4
278.05783	6.7
279.06622	19.5
280.03900	0.8
280.07236	3.0
281.04599	3.4
281.08197	9.6
281.11279	0.5
282.05344	0.7
282.08289	0.8
288.04318	0.9
289.05066	8.0
290.05801	6.7
291.03204	0.9
291.06531	4.6
292.03784	2.5
292.07074	0.9
293.04556	14.5
293.08194	5.4
294.05353	21.2
294.08594	0.8
295.06088	11.2
296.06512	1.3
301.05118	2.1
302.05762	1.0
303.06479	0.5
305.04553	2.9
306.05322	7.7
307.06122	60.3
308.06516	5.9
317.04303	0.7
318.05371	0.5
319.06119	18.5
320.06595	4.1
369.07791	1.1
383.09195	0.8
385.10834	2.1
387.08704	5.7
388.09290	0.7
394.08237	0.5
401.10370	0.8
403.11905	11.2
404.12265	1.7
411.08636	1.9
429.09805	100.0
430.10132	13.3
447.10730	6.5
448.11310	1.1
461.11301	0.4
501.34604	0.5
505.11423	5.0
506.11554	0.8
511.21530	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80779	0.4
59.01379	5.3
60.25212	0.4
61.98829	0.8
65.00331	1.4
65.29350	0.3
67.45059	0.5
68.48399	0.4
71.01376	1.2
75.00879	5.0
83.01400	1.1
85.02956	0.4
93.03448	0.6
98.20714	1.0
101.02454	0.7
107.01397	2.3
108.02189	1.5
109.02963	2.9
117.03454	0.6
121.02958	4.1
123.04573	0.4
133.03043	0.4
135.00916	0.7
135.04533	0.7
139.04054	0.4
145.02919	2.2
147.00815	0.5
147.04587	0.6
148.01619	1.9
151.00383	9.8
159.04529	1.1
161.02469	2.9
163.00362	2.2
164.01131	1.0
173.02411	2.3
174.03160	0.6
175.04073	0.6
178.98360	0.5
178.99840	3.9
183.04552	0.6
185.02441	2.5
187.03934	1.0
189.01958	0.5
189.76613	0.4
190.99844	0.6
199.04016	1.2
203.03426	0.8
211.03979	1.2
213.02037	0.4
215.03516	0.8
225.05630	0.4
226.02684	1.8
227.03442	3.3
227.07124	0.7
228.04047	0.4
229.01344	0.6
229.04948	0.5
231.14876	0.4
243.02986	11.3
243.06648	1.2
244.03506	0.8
245.04587	0.9
253.05061	1.4
254.02209	1.8
254.05733	0.7
255.02985	29.3
255.06381	0.9
256.03268	2.1
267.06686	0.9
267.31888	0.4
271.02481	60.7
272.02927	5.8
273.04053	1.2
276.04306	0.5
277.05072	0.7
279.06708	1.2
281.04562	0.5
281.08176	0.8
283.02481	1.4
289.05096	0.4
291.06683	0.6
293.04538	1.3
294.05304	1.3
295.06064	1.0
299.01935	1.2
300.02756	100.0
301.03464	39.5
302.03882	2.7
307.06134	3.3
308.06747	0.7
319.06223	1.2
343.04465	0.6
384.50375	0.4
429.09845	4.2
430.10159	0.7
447.11069	0.8
463.08780	4.1
505.09903	61.3
506.10272	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	505.099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	37.8
61.98827	1.9
65.00368	0.9
65.57975	0.9
70.10340	0.9
70.49311	2.9
71.01387	12.6
72.99320	2.0
73.02966	5.2
75.00876	100.0
83.01382	1.9
85.02951	4.3
87.00869	1.6
89.02445	5.0
93.03460	6.0
95.01401	1.3
96.96017	1.7
101.02448	7.2
107.01438	1.0
108.02218	1.3
109.02962	9.6
111.00878	4.4
113.02487	3.3
119.03554	1.6
119.05032	2.6
121.02998	4.4
125.02428	0.9
131.03455	1.3
133.02969	1.7
135.04503	4.5
143.03510	1.4
145.02969	5.8
147.04504	1.2
149.04539	1.1
151.00320	2.1
152.01015	0.9
159.04539	4.7
161.02443	10.2
161.04536	1.2
163.03998	2.1
169.06631	1.1
172.05298	1.6
173.02396	4.4
173.06133	1.5
174.03212	0.9
175.04088	1.6
178.99908	1.2
185.02425	4.9
185.06039	1.4
186.03235	1.2
187.04092	1.7
189.05594	1.8
195.08144	4.3
197.06065	1.3
197.09879	1.0
203.03519	1.7
211.07718	1.5
223.07649	14.4
224.07889	1.1
225.05540	2.3
227.03526	1.2
227.07071	1.1
237.03844	1.3
237.09166	1.2
239.10861	3.8
241.05031	1.5
241.08757	3.0
243.03003	1.6
243.06697	2.0
253.05103	3.0
254.05836	1.5
255.02937	5.3
255.06570	2.8
261.03995	1.4
265.08679	6.0
266.05609	1.0
267.06607	3.4
271.02475	8.7
272.03149	1.7
277.05173	2.2
279.06650	4.0
279.09933	1.6
281.08145	5.9
283.09787	2.8
285.07544	1.6
293.04578	2.4
294.05374	2.8
295.06226	2.1
295.09790	2.7
296.10394	1.0
298.08450	1.1
299.09250	8.8
300.02762	15.3
301.03439	7.7
307.06226	6.6
309.07703	10.9
311.09259	2.8
313.10828	3.9
319.06070	2.2
325.07306	1.3
326.11591	2.7
341.10138	1.1
341.13873	3.6
343.08090	4.3
344.12637	4.4
346.14514	1.1
359.15021	9.3
373.22318	4.1
385.09164	5.3
401.08688	1.3
403.11261	3.4
429.09763	16.2
430.10190	1.7
445.20575	1.0
447.10904	9.4
448.11664	1.1
463.08823	1.8
505.09912	10.0
505.20807	30.2
505.26871	7.5
506.10507	1.2
506.21237	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	503.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98846	1.8
69.64140	4.4
69.64549	6.0
71.01387	12.9
73.02950	4.7
79.33849	1.5
83.01379	1.8
85.02962	3.4
89.02463	6.5
94.38996	1.6
95.52637	1.5
101.02432	8.3
113.02460	4.5
116.97800	1.5
119.03511	2.0
161.04512	2.4
167.10760	1.9
230.52951	1.6
246.19458	1.7
255.19788	2.0
297.20737	2.5
380.49719	1.8
399.23792	8.2
417.25015	15.8
525.81598	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	503.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33744	1.5
57.03447	2.4
59.01384	100.0
61.98828	2.5
71.01388	17.0
71.61662	2.6
73.02960	6.8
75.00861	12.4
80.91710	1.7
85.02957	6.2
89.02459	8.0
101.02441	12.2
107.67758	1.6
109.63601	1.9
113.02451	6.5
135.04572	1.8
145.02884	2.4
159.04559	2.2
161.02452	3.2
161.04536	4.1
167.10764	4.0
211.65479	2.1
236.87094	2.1
240.09073	1.9
255.11380	3.5
281.09436	2.9
299.10416	2.4
399.24170	4.0
413.28781	2.3
415.11749	2.7
417.24881	7.2
420.09912	2.0
427.07407	2.3
503.29138	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	503.214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
59.38918	2.4
59.92193	2.5
60.99316	11.6
61.98820	9.4
67.83006	2.1
69.04250	3.0
69.68860	6.6
69.69285	8.5
71.01392	14.0
71.71053	2.3
72.99328	2.7
73.02940	6.1
73.26651	2.5
75.00853	6.8
75.33385	2.3
77.60283	2.6
78.95898	7.7
85.02954	7.2
88.98814	68.5
89.02452	5.2
98.19871	4.9
101.02425	6.3
113.02456	6.7
115.92061	3.4
116.92856	15.0
130.45935	2.2
134.65401	2.2
135.04524	2.5
145.02882	3.2
161.02403	5.7
161.04497	3.9
199.62581	2.7
251.20135	8.3
255.19604	3.1
295.19217	4.5
339.18207	13.3
396.61758	3.3
413.21896	26.7
414.22375	4.7
467.13705	4.1
503.28796	10.6
504.23605	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	503.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	3.7
59.01384	100.0
61.67928	3.0
61.98846	7.4
66.45856	2.5
69.85551	5.5
69.85947	8.7
71.01395	17.4
73.02951	7.4
75.00875	16.0
85.02938	6.7
89.02428	3.3
101.02455	9.7
109.02976	5.6
113.02460	12.1
119.03559	3.6
128.69803	3.1
145.03001	6.2
161.02420	9.6
161.04532	4.5
163.04077	3.5
199.46526	3.5
255.02879	4.1
284.03391	3.8
285.03760	4.0
362.23453	3.4
365.21182	3.4
370.17374	3.2
399.23795	10.2
417.25171	4.4
427.08215	3.5
459.22104	4.0
503.24585	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	503.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92638	1.9
59.01384	100.0
65.36807	2.1
66.95397	2.1
71.01384	13.2
73.02979	4.2
75.00882	7.9
85.02983	3.1
89.02461	5.2
95.88240	2.0
96.54812	2.0
101.02466	7.7
108.67980	2.1
111.84698	2.1
112.95286	1.9
113.02425	4.4
119.36674	2.0
125.02508	2.8
135.04503	2.1
145.02914	3.0
167.63022	2.6
211.03896	2.2
272.73932	2.7
299.09171	7.1
342.85831	2.1
344.28238	2.2
399.23691	3.2
417.24966	6.5
503.25681	2.8
514.37567	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36634	2.0
57.03448	4.2
58.00572	2.7
58.41951	2.2
59.01106	5.6
59.01382	100.0
61.98822	7.2
62.93690	2.5
71.01385	33.7
71.49232	2.1
72.99311	3.9
73.02937	13.9
73.88932	2.5
74.36401	2.5
75.00878	30.9
83.01383	6.3
85.02943	16.1
89.02436	9.9
93.03465	2.9
99.00890	4.3
101.02454	24.4
109.02931	7.1
113.02458	14.9
116.92894	6.3
119.03503	3.3
119.05060	6.0
129.01903	3.2
135.04472	6.8
144.65466	2.4
145.02922	11.1
147.20567	2.3
149.04582	4.1
151.00342	2.3
161.02399	9.4
161.04500	4.7
163.03973	4.1
179.03485	2.7
185.02408	5.9
195.34723	2.5
221.04408	2.9
255.03152	2.9
271.02316	3.2
284.03265	2.7
285.03799	4.4
300.02606	6.5
301.03574	3.1
341.10342	4.1
399.20172	6.8
417.21344	11.7
441.21225	4.6
459.22299	73.1
460.22678	9.8
503.08826	2.8
503.25101	8.2
518.22394	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	503.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62004	2.0
59.01385	100.0
61.98815	6.3
70.52932	2.2
71.01394	20.5
72.99327	2.1
73.02948	8.4
75.00883	25.9
83.01401	3.3
85.02954	11.3
87.00886	5.5
87.04494	3.2
89.02444	6.3
94.03434	2.1
96.96019	4.2
98.19883	7.8
99.00906	2.8
101.02450	16.4
102.16901	2.1
109.02950	17.3
113.02454	6.3
114.41535	2.9
117.03531	2.3
119.05033	8.4
125.02377	2.1
125.06086	7.0
125.40027	2.1
135.04544	3.0
145.02991	15.2
147.04512	2.5
153.01930	9.7
159.04491	2.7
161.02480	11.0
163.04001	5.2
185.02400	5.9
199.79852	2.5
227.03531	4.3
229.58658	2.3
239.07372	2.9
241.05136	3.1
241.09923	2.7
251.06952	5.2
255.02968	6.5
267.06592	9.7
279.03577	2.8
279.06595	8.3
282.08905	2.9
284.03217	6.6
285.03906	8.8
294.05380	3.9
294.09271	2.3
295.06119	6.1
300.02576	3.5
309.07803	2.5
322.08429	2.8
323.05511	7.9
323.09006	2.6
338.07971	6.9
341.10318	20.0
353.10355	29.6
357.08420	3.3
399.20193	4.3
417.21341	3.8
427.08560	5.2
431.10663	2.6
439.04590	2.5
443.22653	3.0
459.11829	2.5
459.22339	39.3
460.22858	4.1
503.25058	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	503.1923
Annotation	Gaultherin B
Peak:m/z	Relative Intensity
59.01384	7.5
61.48193	0.7
61.98830	1.2
71.01369	1.3
71.60719	1.1
78.95872	0.9
111.15198	0.7
113.02375	0.8
119.01395	28.4
120.01762	0.9
125.02519	0.9
133.02956	3.3
135.94963	0.8
145.02953	1.9
147.00920	7.3
148.66624	0.8
149.02440	1.9
161.02463	7.1
173.02452	1.5
174.03212	0.8
175.00366	9.6
176.01126	2.3
186.03204	1.1
189.01921	10.0
213.01952	1.3
214.02702	3.1
216.00656	1.7
217.01422	20.9
218.01787	1.6
227.03513	0.9
258.01651	7.6
271.02530	1.4
323.16470	1.5
329.66367	0.9
367.15668	2.2
373.16522	1.0
385.16568	3.4
411.14478	8.0
412.15311	1.0
429.15512	25.0
430.15894	3.4
461.19937	0.9
503.19260	100.0
504.19604	13.8
520.83960	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01718	0.7
61.31958	0.6
69.71571	3.9
71.01384	3.4
85.02986	1.3
89.02454	3.0
101.02457	3.8
113.02454	2.7
119.03557	1.4
122.76308	0.6
161.04561	1.3
161.19235	0.8
163.04926	0.7
178.04756	0.7
179.05690	1.4
211.67622	0.6
234.48315	0.6
265.13943	0.6
265.18015	0.9
399.24075	1.6
444.24826	0.6
452.22937	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.23
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	11.2
57.79525	5.7
59.01383	100.0
61.98829	41.4
65.00329	5.4
69.56394	38.7
71.01405	8.0
75.00883	10.1
83.01411	6.1
85.02971	6.5
97.38185	5.6
125.02447	99.2
135.04520	7.7
135.83870	4.8
161.02461	6.1
237.18707	6.5
321.20526	9.8
380.19150	5.5
439.23434	64.7
440.23654	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	502.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74462	4.0
50.76758	4.6
51.80816	4.5
52.20817	3.9
59.01387	100.0
60.01710	5.5
61.98823	21.3
69.53827	24.9
71.01391	7.5
83.01394	4.5
101.02465	6.0
125.02448	32.9
130.76953	4.1
161.02496	6.6
215.47624	5.0
229.29498	5.1
310.27646	3.6
421.03516	4.7
439.23486	31.2
454.77747	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	503.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25002	0.4
52.30513	0.6
57.71083	0.5
59.01382	3.4
61.98846	0.6
65.69768	0.5
70.30508	1.0
70.30914	0.9
71.01389	8.6
72.99323	1.1
73.02975	0.7
75.00878	41.7
78.95914	7.6
81.80634	0.5
82.29120	0.5
83.97074	0.5
85.02913	0.6
86.39915	0.5
89.02468	0.9
90.81133	0.4
93.03462	1.6
96.96025	10.5
96.96964	13.1
98.02448	0.6
101.02453	1.4
103.16354	0.5
106.06620	0.6
107.05060	0.5
109.02947	2.9
109.06625	0.5
113.02444	0.8
114.70826	0.5
117.03465	1.0
119.03489	0.5
119.05048	2.1
121.02955	0.7
126.13772	0.6
129.01949	6.0
131.05164	0.6
133.02965	16.4
135.04529	7.0
145.02975	6.7
146.03371	0.6
147.04486	1.2
149.06071	1.3
151.04002	0.6
159.04543	0.8
161.02452	100.0
162.02803	5.7
163.04045	1.0
174.03255	0.8
175.03952	1.4
177.01926	0.9
177.05501	0.8
179.03513	2.2
187.04050	1.0
193.05019	1.6
210.06866	6.3
211.07639	4.0
219.02959	1.0
221.04594	1.6
227.07184	0.8
237.04050	24.8
237.09230	2.4
238.04457	1.2
239.07100	1.4
253.08769	1.4
255.10321	1.8
265.05051	0.6
265.08618	1.1
266.88086	0.5
281.08228	2.1
281.14105	0.5
299.09290	0.6
307.06122	1.6
325.07193	2.6
339.08820	1.9
341.10266	1.8
343.08185	1.0
357.09711	1.4
373.12894	2.2
383.07999	0.6
401.08685	2.6
445.15909	0.6
459.09378	0.7
503.15594	2.8
504.17957	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64933	1.2
57.03443	2.0
57.21866	1.4
59.01385	100.0
60.01723	1.4
61.98821	3.9
69.03470	1.6
69.33593	12.8
71.01390	13.1
73.02953	6.2
75.00883	2.4
83.01381	3.0
85.02952	5.1
88.41582	1.3
89.02437	4.4
101.02449	8.3
113.02458	4.2
119.03513	2.2
125.02451	2.7
161.04492	1.4
162.09973	1.6
218.91818	1.3
225.25790	1.3
242.87350	1.7
253.09274	1.6
253.18022	2.1
265.18219	1.9
267.27847	1.5
331.09940	1.6
397.22440	3.4
415.23514	8.9
457.24359	33.7
458.24646	2.9
501.25629	1.6
501.31656	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	501.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11602	0.7
53.24067	0.7
57.03445	1.8
59.01385	100.0
60.01698	1.3
61.98835	1.9
65.46854	0.7
71.01390	18.5
71.42269	1.7
73.02951	4.8
75.00864	2.4
81.11681	0.8
83.01402	2.4
85.02961	8.9
89.02474	4.8
95.01403	1.6
97.06592	1.2
99.00888	2.8
101.02447	9.6
109.06575	1.7
113.02443	10.8
113.06104	1.0
115.92106	1.3
116.92837	2.3
119.03481	3.2
123.08153	1.5
125.02430	2.0
131.03461	1.4
135.04517	1.0
141.09256	1.2
143.03474	1.2
144.59720	0.8
151.51981	0.8
161.04526	6.6
165.12859	11.0
169.12334	3.1
195.13849	0.9
223.13426	2.9
223.17027	1.4
251.20074	1.1
277.18115	1.5
295.19147	31.6
296.19345	1.3
309.20529	1.0
327.18167	6.9
337.20145	2.8
339.18103	3.4
406.58212	0.9
441.20679	1.0
459.22369	9.0
460.22751	1.7
501.22757	4.4
501.30859	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18831	0.6
55.01842	0.5
57.03441	1.3
58.00605	0.9
59.01383	63.8
60.01710	1.2
61.98834	4.2
69.46474	2.6
69.46899	1.8
71.01389	12.6
72.99296	1.1
73.02946	3.9
75.00854	1.3
85.02959	6.1
85.06579	1.3
87.00851	1.6
87.93840	0.6
89.02448	8.0
95.01388	2.1
97.02961	0.6
97.06616	0.9
99.00906	0.9
99.92585	4.4
101.02448	10.4
113.02457	13.4
113.06126	4.2
115.07622	1.1
115.92075	7.9
116.92871	23.7
117.92886	1.6
119.03506	4.8
121.02962	2.1
123.08131	1.6
125.02464	1.2
125.09750	1.1
127.07566	0.7
131.03516	0.9
131.52281	0.6
142.94405	1.3
143.03453	1.1
149.09741	0.8
151.11316	2.7
161.04568	3.6
169.12354	9.9
179.05623	0.7
181.12375	1.6
207.17567	1.5
217.10812	0.7
223.17061	2.8
233.19070	1.9
235.17044	1.0
251.20233	1.3
253.18088	2.5
259.17123	0.7
277.18134	7.1
295.19144	100.0
296.19528	8.8
309.20697	3.4
319.19141	0.8
321.16965	0.8
337.20172	5.9
339.18256	0.9
349.20123	1.0
353.27206	0.9
367.21259	1.3
397.09628	0.7
457.11905	0.7
459.29736	0.9
501.01242	1.6
501.10699	2.1
501.25366	2.4
501.31195	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	501.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75906	0.4
55.01886	1.1
57.03452	1.3
59.01384	100.0
60.01714	1.0
61.98832	1.2
62.71822	0.5
69.46227	3.2
71.01387	16.7
72.02182	0.7
72.99312	1.0
73.02952	4.8
75.00888	1.2
76.85075	0.4
82.64024	0.5
83.01401	3.0
83.05027	0.7
83.86579	0.5
85.02954	8.2
87.00883	1.2
89.02468	4.9
95.01420	1.4
97.02970	0.7
97.06592	2.9
99.00906	1.9
101.02449	9.7
109.06575	0.8
113.02454	7.1
115.92082	1.0
116.92874	3.5
119.03559	1.1
119.05051	1.0
123.08209	1.7
125.02502	1.2
126.31850	0.5
131.03592	0.7
141.09258	3.4
143.03473	0.7
159.03035	1.1
161.04575	7.7
165.12840	8.1
185.54176	0.5
191.05602	0.6
203.05609	1.2
233.19086	6.4
233.21107	0.6
234.19463	0.6
235.17165	1.5
277.18192	1.9
303.16177	0.9
321.17075	9.4
321.20663	0.7
322.17526	1.2
327.18134	5.6
328.18521	0.7
369.19244	1.3
431.53757	0.5
441.21530	1.5
457.35480	4.9
459.22333	9.5
460.22589	0.7
501.23160	9.3
501.30804	1.8
502.23843	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.5
57.03446	1.0
57.22176	0.4
57.41834	0.4
58.00597	0.6
59.01383	100.0
60.01718	0.9
61.98833	1.3
70.93768	0.7
70.94097	0.4
71.01383	16.2
71.05047	0.6
72.02180	1.0
72.99313	0.7
73.02939	3.6
75.00887	1.6
76.64916	0.3
79.24620	0.4
79.35652	0.4
83.01398	2.2
85.02954	5.7
87.00896	1.1
89.02441	4.9
93.03542	0.4
95.01395	1.0
97.02979	0.8
97.06607	1.7
99.00882	1.9
99.92596	1.0
101.02457	8.3
109.06610	1.6
113.02451	6.6
115.92117	0.7
116.92863	4.3
117.92899	0.4
119.03486	0.7
119.05015	0.8
123.08173	1.7
125.02466	1.0
129.83221	0.4
131.03554	1.1
141.09242	3.6
143.03531	0.5
145.02959	0.4
146.68831	0.4
159.03038	1.0
159.99406	0.4
161.02518	0.8
161.04568	5.5
163.03955	0.5
165.12854	6.4
191.05699	0.6
203.05673	0.9
205.03618	0.5
207.66618	0.4
217.33087	0.4
233.19084	5.4
235.16956	0.9
259.17053	0.4
260.72546	0.4
277.18179	1.5
303.16174	0.9
315.25385	0.7
321.17099	7.8
327.18115	4.0
339.25009	0.4
369.19363	1.7
399.23831	0.7
441.21259	2.0
448.00815	0.4
457.35529	4.9
459.22369	7.7
460.22934	0.5
483.33398	0.5
501.11130	1.0
501.23038	7.2
501.30597	1.4
502.23828	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0265
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	75.1
60.01714	0.9
61.98818	1.0
69.38300	2.4
69.38723	2.1
70.95386	0.6
72.99303	1.3
73.02934	0.6
90.97143	1.0
96.67771	0.6
98.20576	1.2
98.53403	0.5
102.93041	0.5
126.42328	0.6
127.80544	0.5
130.16827	0.6
132.98204	1.0
134.18402	0.6
157.03569	4.1
159.01527	1.7
174.99255	22.5
184.34837	0.5
201.02557	34.5
202.02742	2.6
217.00299	100.0
218.00644	2.2
292.96210	1.1
343.03796	3.0
359.01483	68.2
360.01642	7.7
470.94440	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10565	1.3
59.01381	23.9
59.66573	1.2
61.09305	1.6
61.98830	3.1
69.03442	2.1
69.87229	5.6
71.01389	10.9
72.99320	1.7
73.02927	2.1
75.00881	12.5
78.84017	1.4
83.01394	20.4
85.02982	2.4
85.56415	1.5
87.00879	16.4
93.03471	19.8
99.00874	2.8
107.97276	1.4
108.02184	2.0
109.02951	2.3
111.00863	3.8
115.00381	47.3
117.03487	3.4
119.05045	18.1
121.03020	1.5
121.06606	2.5
123.04446	1.5
127.00379	2.4
133.06604	100.0
134.03716	2.5
134.06923	4.8
135.02974	4.0
135.04524	2.9
139.00409	3.2
145.02928	7.0
145.06606	7.0
147.04515	6.7
148.05267	3.6
149.02385	1.8
149.06111	9.8
157.01405	3.5
157.03465	1.4
161.02432	3.9
161.06065	3.8
165.01859	2.0
165.05533	3.5
173.06085	9.2
174.01672	22.9
174.99265	4.0
175.02486	66.3
176.02859	1.8
177.05579	34.1
178.05824	1.5
189.05627	1.6
190.02731	7.2
191.03513	2.7
191.07152	21.4
193.05084	3.3
201.02524	6.4
205.05078	2.0
207.06743	1.7
215.07196	1.8
217.00285	16.5
221.04570	47.1
222.04935	1.8
223.06056	2.5
233.08250	10.0
235.05998	1.8
249.07693	1.9
259.06052	3.4
353.08768	6.5
359.01443	12.9
360.01779	2.1
383.09842	67.0
384.10156	5.3
388.98792	1.5
441.10410	12.4
465.10284	5.9
474.06357	1.8
501.12210	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56960	0.4
78.95909	100.0
86.65710	0.5
92.84762	0.4
96.96970	9.2
140.01254	0.4
145.02962	1.4
152.99596	17.3
157.09657	0.4
171.00645	17.8
189.18045	0.4
192.21803	0.4
303.23212	0.6
319.86462	0.4
342.63824	0.4
351.31143	0.4
372.22485	0.6
372.99161	0.4
385.09637	0.4
426.24207	1.2
432.76971	0.4
463.27036	0.6
464.27402	1.4
500.27847	58.5
501.28015	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	500.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.5
60.12524	0.4
62.96399	0.6
64.56363	0.4
71.01384	0.4
71.32812	0.9
78.95908	52.5
79.10625	0.4
83.05033	0.9
96.96954	1.2
97.98293	0.4
122.00149	1.9
122.98484	0.5
137.02284	0.4
140.01198	10.3
149.08971	0.5
152.99591	5.6
163.07661	0.5
171.00697	2.6
177.09183	0.5
177.14906	0.4
196.03801	20.2
199.55894	0.4
205.19647	1.7
209.95448	0.4
214.04871	4.7
231.21304	0.6
249.97394	0.4
259.21628	0.5
259.24289	7.7
260.24606	0.4
285.22330	0.5
303.23297	100.0
304.23672	9.6
353.49152	0.5
381.50238	0.5
410.23575	0.6
500.27847	39.6
501.28040	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	500.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.7
61.98822	0.5
69.98170	1.9
78.95908	11.8
78.96370	0.8
83.05034	0.9
140.01181	4.3
152.99541	1.2
171.00662	0.5
177.16487	0.4
196.03821	2.4
205.19704	1.9
214.04860	5.8
224.75890	0.4
231.21216	0.7
259.24298	6.8
260.24762	0.4
303.23297	100.0
304.23642	10.9
446.60980	0.3
500.27832	11.0
501.28186	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	2.7
59.01383	100.0
60.01710	1.5
61.98828	2.6
71.01381	14.7
71.61915	1.4
73.02968	5.5
75.00891	1.2
78.95893	1.5
78.98591	1.7
79.18399	1.0
79.95712	2.1
80.96521	20.1
83.01383	3.4
85.02960	5.7
87.00878	1.7
89.02434	4.1
94.98080	4.4
95.01366	1.4
96.95991	3.3
96.96909	1.4
99.00873	1.1
101.02451	8.1
113.02437	5.3
119.03506	2.2
122.97535	1.4
125.02470	6.8
134.97614	1.3
148.99118	1.8
152.98546	1.2
153.89951	1.2
161.04526	2.4
164.98613	3.5
167.05960	1.0
169.12383	1.3
225.00743	3.3
265.21841	1.4
281.18207	1.0
291.19403	1.2
293.21057	1.6
295.15628	1.8
295.19046	1.4
309.20688	2.3
395.20630	1.3
413.21848	2.1
439.26947	1.2
455.22855	14.6
455.29047	1.6
499.25784	39.9
500.26382	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	498.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08138	0.4
61.98836	100.0
86.83456	0.4
95.24747	0.4
106.25706	0.4
119.05183	0.4
131.49265	0.4
145.02982	1.8
157.07916	0.4
387.56784	0.5
435.23868	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	498.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54491	0.5
61.98832	100.0
66.59086	0.4
70.49064	0.5
70.76304	0.4
70.76621	1.2
73.47958	0.5
98.61678	0.4
118.73272	0.5
128.47400	0.5
130.19974	0.5
145.02965	1.8
239.15491	0.4
241.33429	0.5
254.09105	0.4
260.53833	0.5
435.24020	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65355	6.2
59.01385	49.0
61.98831	11.3
69.42150	40.5
69.42567	16.0
71.01373	20.6
73.02946	12.3
74.02499	7.7
75.00880	37.0
78.52831	7.4
85.02929	8.4
101.02448	18.8
103.20525	6.6
113.02435	17.1
116.05064	25.2
119.05067	17.9
128.52548	8.6
135.04480	10.0
145.02943	11.2
151.00378	10.0
157.22433	7.6
161.02446	12.2
161.06151	7.1
167.48799	7.3
178.99911	8.6
203.08235	39.3
205.05034	10.0
207.92464	6.5
217.04991	10.1
243.02908	8.7
255.02965	25.2
271.02490	48.5
272.02750	9.6
288.22980	7.3
300.02750	93.4
301.03433	29.0
409.14185	46.0
421.14240	8.6
439.21490	11.3
452.33255	10.2
463.08899	100.0
464.08850	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	499.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	11.8
61.98820	0.6
71.01381	2.3
71.61265	0.6
73.02953	3.4
75.00875	1.8
81.03493	0.6
83.01352	0.9
84.82996	0.6
85.02963	1.0
87.56596	0.5
93.03461	7.8
96.96013	1.0
99.00895	0.9
101.02463	0.6
106.04202	0.8
108.02142	0.7
109.02935	1.1
111.00883	3.0
113.02499	0.7
117.03501	1.5
119.05033	16.9
123.04580	3.0
131.05023	2.5
132.05794	4.8
133.02988	3.5
133.06602	15.7
134.03725	1.3
134.06981	0.9
135.04527	1.8
143.05067	2.0
145.02946	2.1
145.06619	0.8
146.03723	3.0
147.04538	3.7
148.05278	0.8
149.02411	1.6
149.06064	5.1
159.04520	1.8
160.05312	6.7
161.06096	100.0
162.06425	5.0
163.04022	3.5
173.06059	3.7
175.04041	1.7
175.07649	1.1
177.05615	1.6
179.07147	3.0
187.04089	0.6
189.05493	1.0
191.07172	1.5
196.98624	0.6
203.07158	9.7
205.05067	34.1
206.05420	2.2
215.07118	5.1
223.06108	8.6
224.06328	0.8
233.08235	6.3
235.06091	1.4
243.46097	0.7
247.06140	1.7
251.09282	6.2
259.06104	0.7
277.07214	6.2
278.07599	0.9
293.10037	1.0
295.08243	33.3
296.08621	2.0
337.09448	6.4
338.09610	0.9
349.09277	2.5
367.10315	0.8
409.11365	1.7
427.12500	1.8
439.12521	0.7
505.01443	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47929	0.4
59.01385	13.4
61.98835	100.0
67.33958	0.4
71.01398	2.5
71.61519	0.6
73.02955	1.8
74.79417	0.4
75.00874	3.6
77.70221	0.4
84.26437	0.4
85.02959	1.1
87.00843	0.5
87.04547	0.4
89.02470	0.6
101.02474	1.6
105.71685	0.4
113.02480	1.4
119.05058	1.7
125.09741	0.7
135.08179	1.0
137.02489	0.4
137.06116	0.5
137.44542	0.4
139.04036	1.0
145.03009	1.1
151.07693	0.5
153.09404	0.6
161.02483	0.6
161.04729	0.6
163.04016	0.6
179.13319	0.4
192.06894	0.4
201.11302	2.3
202.11783	0.6
255.02791	0.6
256.03381	0.5
261.38574	0.4
282.52264	0.4
285.04065	1.8
329.23691	0.5
347.38846	0.4
392.99426	0.4
405.46262	0.5
417.65402	0.6
435.25885	0.5
438.23578	1.1
480.30991	0.6
481.32080	1.0
498.31433	1.7
499.33755	2.8
509.76556	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10580	0.5
53.47421	0.5
57.03443	0.8
57.36351	0.6
59.01385	53.3
60.01724	0.6
61.98837	4.1
71.01385	5.6
71.05036	1.2
71.62260	0.8
72.99307	0.9
73.02950	4.6
75.00887	2.5
79.05576	0.5
83.01396	1.6
83.05051	0.7
85.02962	2.2
87.00888	1.2
87.04488	0.7
89.02460	2.5
95.05041	1.0
97.06584	2.8
99.04494	0.6
101.02455	3.8
109.02980	1.1
109.06597	0.8
111.08176	1.0
111.30226	0.5
113.02457	2.3
113.09766	0.6
115.82293	0.6
119.03516	1.0
120.05817	4.9
121.02972	2.2
123.04530	1.3
123.08176	3.4
125.06123	1.0
125.09726	2.9
133.06581	0.8
135.08177	28.9
136.05333	1.0
136.08521	1.0
137.06085	2.1
137.09752	1.9
139.04034	1.5
139.07643	0.6
141.09254	1.4
145.03006	0.8
146.42604	0.5
149.06140	0.7
151.07639	4.0
153.09219	3.1
155.10782	1.2
157.08731	0.7
161.02522	0.9
161.04575	1.1
171.10283	1.7
201.11346	1.8
203.09351	1.2
217.10809	0.9
251.07132	0.7
261.18420	0.7
272.76434	0.5
279.19720	0.7
293.21115	0.5
295.19608	0.6
309.20670	0.8
327.21881	1.7
343.21240	6.4
346.59186	0.6
367.24832	0.7
390.93295	0.5
397.27689	0.9
417.30350	1.2
433.29880	1.1
435.31812	3.0
437.24991	1.3
451.30869	4.5
453.27573	1.2
453.32712	1.7
454.32730	0.7
461.29431	2.8
478.06604	0.7
479.30264	16.2
480.30698	1.7
497.31339	100.0
498.31671	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	497.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.8
57.03450	0.7
58.00610	0.7
59.01385	100.0
60.01737	0.8
61.98829	1.4
69.03466	0.9
71.01390	26.7
72.99332	1.6
73.02955	27.2
74.03326	0.5
75.00893	1.7
81.43726	0.5
83.01395	8.7
85.02975	5.3
87.00905	1.2
87.56511	0.5
89.02458	7.5
95.01414	1.0
96.95963	0.5
97.02994	0.7
97.06586	0.7
98.20717	0.9
98.26022	0.5
99.00907	1.1
99.04585	0.5
101.01781	1.3
101.02452	26.1
111.08189	0.6
113.02464	13.1
119.03520	2.7
121.02972	0.5
123.08170	0.9
125.02505	0.9
125.09780	0.8
131.03535	2.0
135.08206	2.6
139.04086	0.6
143.03554	2.4
149.04619	1.7
151.07727	0.6
152.04849	0.7
153.09285	0.6
155.03511	0.5
161.04568	5.4
171.10281	0.6
275.20212	1.2
361.28635	0.6
437.25058	1.7
455.26410	1.0
479.30582	1.4
497.32211	7.9
498.31808	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3136
Annotation	Hemiasterlin B
Peak:m/z	Relative Intensity
50.51000	0.6
55.01896	0.8
57.03453	1.3
59.01384	37.1
60.61437	0.5
61.98829	1.2
69.32005	1.4
69.32407	3.7
71.01387	7.7
71.59441	0.6
72.99310	0.8
73.02946	6.2
75.00886	1.3
83.01387	2.1
85.02518	0.6
85.02952	3.5
87.00899	0.7
89.02467	1.6
95.01366	0.9
95.05056	1.1
96.96068	0.6
97.06606	2.2
101.02468	8.0
109.06603	0.8
111.08186	0.9
113.02478	3.0
119.03516	1.0
120.05836	5.1
121.02959	1.5
123.04556	2.6
123.08185	3.3
125.06121	1.0
125.09734	1.4
131.03482	0.7
135.08173	26.2
136.08516	1.1
137.06091	1.9
137.09743	2.4
138.11681	0.6
139.07692	0.7
143.03508	0.7
151.07645	2.4
153.09175	4.0
156.23404	0.6
159.02995	0.6
160.10434	0.7
161.04562	2.3
181.91878	0.6
201.11362	2.6
221.91953	0.5
231.13918	1.1
291.18082	6.4
309.20752	0.9
343.21225	6.1
345.32269	0.7
349.23724	0.8
367.24899	1.4
397.27432	1.7
415.28583	0.8
417.30182	1.1
433.29626	1.2
435.31320	4.5
437.24106	6.7
438.24429	1.0
451.30673	8.3
461.29202	2.6
479.30179	19.2
480.30740	2.9
497.31274	100.0
498.31641	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	497.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48534	0.4
55.01872	1.2
56.05837	0.5
57.03443	1.1
58.00608	1.2
59.01385	100.0
60.01720	1.3
61.98853	0.6
69.03443	0.7
70.90929	0.8
70.91266	0.6
71.01388	29.7
72.99313	1.8
73.02956	19.6
75.00893	1.4
81.03477	0.7
82.95455	1.0
83.01392	7.3
85.02961	6.1
87.00876	1.0
87.04591	0.4
89.02451	15.9
95.01402	1.4
97.02967	0.7
99.00893	1.1
101.02456	26.2
113.02451	10.7
114.02782	0.6
119.03502	8.1
123.72011	0.6
125.02448	1.2
131.03557	1.8
139.04015	0.6
143.03529	2.1
149.04605	1.5
153.09288	0.7
155.03564	0.8
161.04546	5.2
179.05618	2.2
219.01740	0.4
231.17567	1.5
275.20123	2.9
289.37369	0.5
293.21231	0.6
295.19327	0.7
307.17740	0.8
339.18268	0.6
347.38828	0.5
359.22369	0.7
393.26752	0.5
413.22028	0.7
437.25677	1.4
453.32367	1.6
455.26410	6.7
456.27258	0.9
457.21530	0.5
497.29407	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89461	1.2
55.01872	4.8
57.03455	2.0
58.00579	1.4
59.01385	70.5
61.98837	3.4
63.49955	1.0
69.45798	7.6
71.01386	39.8
71.98327	1.0
72.99309	2.3
73.02956	18.1
75.00875	2.9
83.01398	16.2
85.02958	21.2
85.03447	1.7
87.00899	2.5
89.02456	5.5
95.01389	2.5
97.02954	2.4
99.00881	6.8
101.02453	42.2
103.03996	1.6
106.72845	1.1
111.00854	1.3
113.02467	17.2
119.03545	2.4
119.05025	2.3
119.40011	1.0
120.76285	1.1
125.02454	2.8
135.08102	1.5
143.03583	2.1
145.02972	2.6
159.03027	3.5
161.04565	15.3
265.77905	1.2
291.18152	73.9
292.18573	5.6
305.49197	1.3
324.08273	1.1
350.39606	1.1
377.10007	1.1
437.23926	100.0
438.24130	7.5
479.30206	2.0
480.30295	1.2
497.31796	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	497.2758
Annotation	Simplexin I
Peak:m/z	Relative Intensity
57.03450	2.2
58.00600	2.1
59.01382	100.0
61.98831	4.2
69.03461	1.9
69.88036	6.6
69.88452	3.1
71.01388	63.0
72.99306	4.1
73.02952	56.0
75.00867	3.9
81.03394	1.7
83.01392	21.7
85.02944	7.8
87.00852	1.7
89.02450	11.0
95.01407	4.4
96.96045	4.1
97.65685	1.5
98.95592	3.6
99.00877	2.7
99.92582	3.8
101.02448	42.4
107.05030	2.0
113.02473	12.9
115.92065	5.8
116.92847	4.1
119.03455	2.7
119.04984	3.2
121.02954	9.5
125.02438	4.4
131.03499	2.9
149.04500	2.8
155.03479	3.2
161.02408	1.8
161.04550	7.5
192.75392	1.9
215.01874	1.7
255.19801	2.0
275.20187	34.7
276.20578	2.7
277.21759	1.6
293.21191	23.2
294.21432	2.4
338.60120	1.8
437.25345	10.0
455.26498	22.3
456.26941	3.2
497.14841	6.9
497.27481	91.1
498.27783	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	497.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.5
57.02279	0.5
58.00601	0.9
59.01384	34.5
60.01701	0.6
61.98853	3.6
67.63222	0.7
71.01387	11.4
72.99317	1.2
73.02956	25.6
75.00880	1.6
83.01401	3.6
85.02959	3.5
87.00903	1.2
87.16824	0.5
89.02464	2.2
89.20251	0.5
91.45870	0.7
94.14865	0.5
99.00893	2.5
101.02452	18.1
103.04021	3.7
103.05521	0.9
113.02456	2.8
115.04026	0.8
115.05546	0.8
117.03481	0.8
119.03512	0.8
119.05027	1.8
125.02457	0.9
131.03510	3.5
131.05034	2.4
133.06641	2.7
139.32195	0.6
140.12193	0.6
143.03537	2.7
145.05089	1.6
147.04533	100.0
148.04861	4.1
161.02423	0.7
161.04727	1.3
161.06075	11.7
163.06122	4.4
187.07710	0.8
189.05557	8.5
205.07205	2.6
231.06654	2.2
255.03027	0.9
284.03293	0.8
284.52512	0.6
285.03961	1.0
290.64679	0.6
335.11423	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	495.333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	1.1
59.01387	8.5
61.98813	1.0
72.35946	0.9
75.00890	1.3
78.95898	2.5
81.07078	1.0
85.06599	1.1
87.00881	100.0
88.01229	0.9
92.69681	1.0
96.95975	1.1
97.06580	2.8
98.19840	2.1
113.06120	1.3
121.06551	1.2
123.08164	3.9
125.02433	2.9
125.06056	6.4
147.33090	0.8
152.99559	3.5
167.07104	1.4
267.23373	1.5
280.56271	1.1
283.26471	1.2
337.66302	1.1
363.32501	4.5
365.34213	5.1
389.34210	11.4
390.34595	1.8
407.35336	46.4
408.35715	6.5
409.23447	1.9
409.33414	1.1
451.34256	42.4
452.34549	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	496.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.7
61.98832	100.0
62.98549	0.3
64.10759	0.2
71.01392	1.2
71.61543	0.4
72.56423	0.3
73.02940	0.4
75.00876	2.9
79.13054	0.3
83.01391	0.3
113.02493	0.3
116.29853	0.3
119.05017	0.6
129.01913	0.3
137.54308	0.3
145.03006	1.1
147.04564	0.7
161.02435	0.4
163.04059	0.4
212.08025	0.3
243.91113	0.3
255.03047	0.5
269.56274	0.3
275.80112	0.3
281.03824	0.3
284.03174	0.5
285.04160	1.0
331.61407	0.3
344.35815	0.3
347.58710	0.5
496.15970	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59305	1.0
51.43690	0.9
55.01872	1.6
55.86701	0.9
56.71359	1.0
57.35923	1.0
59.01092	1.9
59.01382	29.8
60.01701	0.9
61.98833	9.7
63.99262	2.3
71.01390	11.8
72.99317	1.4
73.02954	23.2
75.00891	2.0
77.84145	1.0
79.92271	1.1
80.70976	0.9
83.01397	3.6
85.02961	3.4
87.00895	2.8
89.02448	3.1
98.19835	2.3
99.00867	3.6
101.02448	19.9
103.04008	2.9
113.02466	2.2
115.05556	1.2
117.03486	1.1
119.03542	1.4
119.05017	2.1
131.03490	2.5
131.05072	2.5
133.06601	3.7
143.03516	2.7
147.04532	100.0
148.04854	4.3
152.63550	0.9
161.02458	1.0
161.06059	8.4
163.06119	4.9
189.05577	6.3
205.07153	2.1
228.04379	1.0
231.06654	1.8
236.09514	1.0
254.13254	1.1
255.03119	1.3
285.03867	1.5
335.11337	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	495.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63924	1.7
57.77528	1.6
58.00601	3.2
59.01384	90.4
61.98835	36.6
68.94508	1.5
71.01391	28.6
71.25428	1.6
71.61546	2.3
72.00897	2.2
72.99313	2.9
73.02950	16.5
75.00886	3.8
83.01400	4.6
85.02941	8.8
87.00888	6.4
89.02448	28.8
89.50819	1.5
93.03469	31.5
99.00887	1.7
100.00415	9.1
101.02454	34.1
103.04021	9.8
113.02475	10.0
115.04102	1.7
117.03469	21.9
118.03732	1.6
119.03662	11.8
119.05034	100.0
120.05373	2.8
125.02464	2.6
130.06635	1.7
131.03505	5.9
143.03513	7.7
145.02971	97.7
145.04886	2.9
146.03329	3.8
147.04497	2.9
154.06674	2.6
157.07704	4.6
161.04578	2.8
162.05560	4.3
163.06148	34.0
165.09930	1.5
167.06165	13.1
169.07732	18.7
174.05690	2.1
179.05624	4.1
182.06073	1.8
205.07190	16.6
210.68694	1.7
220.07724	2.8
231.06816	1.7
232.07721	21.5
233.08395	6.8
234.09245	29.0
244.07686	8.0
245.08347	2.0
246.09299	14.7
248.10814	3.8
261.10312	8.6
262.08621	2.5
263.11911	5.6
265.09537	1.7
272.92157	1.7
274.08850	8.8
276.10318	13.9
288.10278	13.3
289.09970	10.9
289.16541	3.8
290.08194	8.7
291.18332	1.8
303.11386	6.1
307.10800	4.0
331.10941	7.8
332.09216	7.8
349.11862	13.4
350.12381	2.1
357.12265	2.6
375.09891	70.6
376.10190	6.3
409.15573	12.8
432.23007	3.5
435.22437	30.0
436.22913	3.3
451.16577	5.6
453.23468	2.4
492.27594	2.0
495.15546	25.4
495.22220	2.8
495.29877	4.1
496.16006	4.5
520.37018	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	495.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
59.12926	0.4
60.01712	1.2
61.98844	1.0
65.36566	0.3
66.33997	0.4
69.71909	2.0
71.01394	2.6
73.02951	1.1
73.20100	0.4
84.85661	0.4
85.02987	1.0
101.02466	1.5
113.02486	1.4
119.03426	0.5
123.04542	0.5
136.05315	0.5
161.04611	0.6
167.99065	0.5
201.11305	1.1
477.28629	0.8
495.29672	5.9
496.30493	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	6.3
69.97580	2.7
78.95909	0.5
85.06568	0.7
87.00877	100.0
88.01258	0.9
97.06581	2.0
98.19954	0.6
102.02737	0.5
107.05038	0.6
113.06080	1.4
123.08191	3.1
125.02432	2.8
125.06096	4.9
126.81038	0.7
145.02975	1.2
146.03282	1.6
147.03517	0.8
167.07137	1.5
186.22565	0.6
194.42068	0.5
267.23315	0.6
269.24918	0.5
270.25229	1.0
283.26416	1.3
289.42877	0.6
363.32706	3.9
364.33112	0.8
365.34164	3.9
371.37393	0.6
389.34247	6.7
390.34662	1.3
403.26511	1.4
407.35321	26.5
408.35776	2.8
409.33536	0.7
451.34268	30.2
452.34473	4.6
495.33176	8.2
496.33453	1.2
512.04785	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.4
57.03447	3.0
58.00608	2.4
59.01386	100.0
60.25992	1.3
61.51758	1.2
61.98833	3.1
65.66722	1.2
67.90979	1.1
69.03488	2.2
70.29991	4.0
71.01390	58.6
72.73386	1.1
72.99310	2.1
73.02953	22.2
75.00880	3.7
83.01389	15.8
85.02960	32.7
87.00878	3.4
89.02462	9.9
95.01404	5.4
97.02969	4.2
99.00893	8.9
101.02452	49.3
103.04025	5.1
104.61137	1.0
113.02460	21.8
115.04050	1.2
117.03439	1.3
119.03544	2.6
119.05058	2.2
125.02414	6.0
125.93962	1.1
143.03503	2.8
145.02950	3.5
145.05054	2.5
154.09993	1.0
159.03020	3.7
161.04573	22.7
163.06149	3.9
229.07266	1.4
247.08235	2.8
289.16592	55.7
290.16971	3.6
307.10455	1.6
435.22394	88.3
436.22855	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70644	1.9
59.01383	100.0
61.98819	7.7
69.53757	7.0
69.54166	7.5
71.01378	8.7
73.02943	3.7
75.00885	5.5
82.02984	2.8
83.01381	2.4
85.02930	2.2
89.02417	3.6
90.33834	2.0
93.03464	22.8
96.00916	7.8
100.00405	3.9
101.02453	6.4
109.01719	13.4
110.02502	12.4
113.02464	5.2
116.05079	11.6
117.03460	17.6
118.96580	1.9
119.05041	63.2
123.04508	2.2
133.02960	2.9
142.06618	10.0
145.01866	3.7
145.02959	59.8
149.74461	1.9
159.04478	3.8
161.04608	2.8
161.06065	2.3
162.05573	5.3
167.06143	8.9
169.07635	9.6
183.05560	2.8
186.05559	4.0
187.19463	2.1
192.70422	2.1
210.06847	7.8
211.07652	52.9
212.08032	5.5
232.07654	7.2
233.08467	2.7
234.09276	17.2
239.08221	8.0
239.62665	2.1
244.07713	4.3
246.09192	6.8
248.10938	2.8
261.10324	4.2
265.08685	2.0
272.07755	2.1
274.08786	3.6
276.10309	8.7
281.15460	1.9
283.07120	5.5
288.10352	9.2
289.09784	3.2
289.43494	2.0
290.08249	4.6
296.37476	2.4
303.11533	2.4
308.09232	6.9
331.10828	3.6
332.09335	5.7
345.12531	16.8
349.11874	6.2
362.28693	2.3
373.22336	7.4
375.09842	44.4
376.10236	5.6
409.15503	7.0
415.23474	4.1
451.16550	9.4
495.15652	19.2
495.29831	10.5
496.16122	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	495.1147
Annotation	tarocin A1
Peak:m/z	Relative Intensity
55.93932	0.8
59.01375	1.5
70.69111	1.5
70.69460	1.6
70.73027	0.6
71.01391	3.6
72.99313	41.6
75.00866	2.3
87.17628	0.6
87.53799	0.6
89.02446	1.2
95.01371	0.9
101.02460	1.3
107.05044	1.1
108.02193	0.7
109.02959	28.5
111.00880	1.0
113.02469	1.4
118.06184	0.7
123.04534	15.8
123.69584	0.7
125.02438	2.3
131.38147	0.6
133.02979	0.8
134.03799	1.5
135.04529	30.2
136.04823	1.2
137.02483	1.1
144.11812	0.7
145.02902	1.5
151.04015	2.6
152.01106	2.0
153.01947	48.1
153.81670	0.7
154.02249	1.4
161.02470	0.9
167.03506	2.0
179.03506	27.3
180.03804	1.2
186.25378	0.7
195.03024	1.9
197.04556	34.7
198.04843	1.2
237.04059	1.1
297.06155	29.2
297.09531	1.4
298.06580	1.5
308.18674	0.7
314.95206	0.6
333.06146	2.0
341.08838	0.9
359.09833	6.3
480.25409	0.8
495.11441	100.0
496.11804	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	495.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.3
61.98833	8.9
69.56109	1.3
69.56534	2.1
69.67943	0.5
71.01379	3.5
72.99321	3.0
73.02961	0.8
75.00874	2.5
83.01414	0.6
85.02973	0.7
87.00866	0.7
89.02463	0.8
92.44785	0.5
99.00908	0.7
101.02444	1.9
108.02210	0.9
109.02960	29.7
110.03330	1.0
111.00851	0.5
113.02493	1.5
117.03435	0.6
119.05007	1.0
123.00884	0.9
123.04517	2.0
125.02435	1.4
133.02962	2.6
134.03763	3.5
135.04532	100.0
136.01701	0.7
136.04861	4.2
137.02452	30.9
138.02742	1.0
145.02951	1.7
147.04518	1.6
150.03214	0.6
151.03975	0.7
152.01178	2.1
153.01944	49.6
154.02312	1.6
157.80421	0.5
159.08150	0.6
161.02496	1.1
165.05617	1.0
167.03494	2.2
175.03970	1.8
177.01953	0.7
177.05592	0.7
178.42430	0.5
179.03503	11.3
180.03831	0.6
187.04037	0.7
191.07085	3.1
195.02997	2.0
195.06648	0.7
197.04475	1.5
207.02911	0.9
207.06618	0.8
215.03563	0.5
215.07124	0.8
218.05841	2.2
227.97557	0.5
237.04152	0.7
259.06055	2.0
273.07669	0.8
291.08743	10.9
292.09009	1.1
297.06158	46.0
298.06665	2.8
341.08533	0.6
359.09860	1.5
363.10672	0.7
433.11172	3.1
435.09341	6.2
436.09552	0.8
477.10461	7.1
495.11404	54.3
496.11807	7.5
506.70737	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15766	0.4
59.01371	0.9
59.78178	0.4
61.98836	100.0
69.29261	3.7
71.01405	0.7
72.99317	2.3
75.00871	2.0
89.02435	0.4
96.86217	0.4
98.19934	1.0
101.02472	0.4
108.02189	0.5
109.02973	4.3
119.05060	1.0
121.02924	0.5
123.04557	1.3
125.02516	0.7
135.04541	8.9
136.04921	0.5
137.02460	2.2
138.05492	0.5
145.02969	1.5
147.04507	0.4
150.03229	1.5
152.01141	1.3
153.01953	5.4
161.02420	0.6
163.03969	0.6
165.05620	1.4
167.03525	2.6
179.03522	2.1
195.03012	0.6
195.06627	0.8
197.04625	1.9
229.04950	0.4
255.04950	0.5
273.07803	1.5
297.06259	3.7
333.06302	0.7
333.10907	1.4
345.16302	0.4
359.10367	0.4
495.11197	7.1
495.22696	0.5
496.12137	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	3.0
58.00610	1.9
59.01382	100.0
60.01723	2.0
61.98839	3.7
69.03478	1.5
69.37238	8.9
69.37646	5.2
71.01391	24.2
72.99306	3.7
73.02949	14.0
75.00886	4.6
83.01378	4.5
83.04984	1.6
85.02952	7.2
87.00887	2.6
89.02453	7.4
93.03484	1.9
97.02996	2.0
98.20589	3.3
99.00903	3.4
99.83016	1.8
101.02435	17.3
109.06609	2.3
112.93372	1.8
113.02468	8.1
119.03514	2.9
119.05014	3.5
120.29476	1.7
125.02460	4.4
135.04530	2.0
135.08168	30.8
137.06139	2.0
145.03012	1.9
161.04564	3.5
187.11293	2.3
189.12836	2.8
193.05069	2.1
201.11440	2.0
259.09674	5.3
273.18542	5.2
277.10788	31.3
278.11243	2.8
291.12399	95.3
291.19391	8.1
292.12762	6.3
305.13806	2.7
333.13364	2.5
433.29782	2.5
453.24622	2.8
459.27750	1.9
477.28668	6.7
480.80170	1.7
495.30124	13.8
519.10779	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85527	2.7
55.37027	2.7
55.89589	2.7
59.01384	91.8
61.98831	10.5
70.37257	4.7
70.37621	10.8
71.01390	24.8
72.99306	3.4
73.02945	28.5
75.00883	30.9
82.02975	4.8
83.01405	6.3
89.02474	6.5
93.03465	26.6
96.00933	8.2
96.96008	3.4
101.02451	33.8
103.63107	2.7
109.01715	15.8
109.02957	3.0
110.02488	21.9
111.16797	3.1
113.02460	11.4
116.05064	30.4
116.92871	3.0
117.03463	9.0
119.05032	31.9
122.02503	4.2
131.03520	5.0
133.02948	6.5
135.04552	4.4
142.06618	20.9
143.06920	3.1
145.02991	30.4
149.04553	3.7
149.06075	3.2
158.06078	3.2
159.04538	9.0
161.02472	3.4
161.04578	10.7
163.04010	6.2
173.05994	3.9
175.04036	4.1
183.05672	6.2
186.05609	10.4
195.05687	8.1
195.09302	4.0
202.04956	3.3
203.72958	3.1
210.06786	15.1
211.07629	100.0
211.80763	3.0
212.07961	5.8
216.06618	10.9
222.07008	3.5
223.07625	33.4
224.08362	4.2
237.09100	3.9
238.07471	5.5
239.08223	13.3
265.08643	2.9
278.08411	3.7
279.10577	3.6
283.07291	8.3
308.09296	16.9
317.13052	4.1
321.10220	4.6
322.10861	52.6
323.11212	6.0
345.12488	29.4
357.12372	11.6
451.16733	23.3
495.15726	41.5
496.16211	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	494.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69920	0.3
55.29053	0.3
59.01375	1.4
61.98837	100.0
63.89756	0.3
69.76732	0.6
69.77145	1.4
71.88382	0.3
75.00869	0.4
75.03195	0.3
84.01986	0.3
86.40588	0.3
148.21040	0.3
226.98592	0.3
227.03540	6.0
228.04167	0.4
229.04990	0.8
255.03003	8.3
256.03668	1.1
257.04550	0.6
284.03284	10.5
285.04025	9.1
286.04459	0.6
431.09839	17.3
432.10117	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	494.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08305	0.5
52.89420	0.5
55.96093	0.6
58.00632	0.5
59.01383	33.1
59.46559	0.6
60.01726	1.0
61.54652	0.5
61.98833	100.0
69.04733	0.5
71.01384	11.7
72.99342	0.6
73.02952	5.2
75.00888	2.1
83.01407	2.1
85.02951	4.5
87.00890	1.3
89.02446	7.4
93.03457	8.2
93.03990	0.6
95.01418	1.3
97.02956	0.6
99.00900	0.7
100.00436	1.8
101.02451	12.5
103.04021	2.0
113.02462	3.8
116.05072	1.0
117.02705	1.0
117.03475	6.6
119.03543	2.7
119.05030	28.5
125.02483	0.7
126.62888	0.5
131.03503	1.0
143.03503	2.5
145.02963	27.4
147.04510	0.7
149.02431	0.6
154.06607	0.8
161.04568	1.7
162.05653	1.3
163.06129	6.2
167.06143	3.1
169.07709	6.2
176.07129	0.8
179.05594	1.5
205.07156	3.7
230.12021	1.0
231.06931	0.7
232.07729	5.2
233.08517	1.6
234.09204	8.4
244.07689	2.4
245.08539	0.7
246.09164	4.0
248.10851	0.9
260.09653	0.9
261.10352	2.7
263.11880	2.0
268.73874	0.6
274.08743	2.0
276.10446	4.1
288.10358	4.6
289.09888	2.6
290.08252	2.7
291.18240	1.4
299.08621	0.6
300.02802	0.7
301.03101	0.8
303.11417	1.2
307.10834	0.9
322.30972	0.6
331.10992	2.0
332.09396	2.4
349.11908	4.1
375.09836	23.7
409.15460	4.3
431.22803	11.5
432.23218	1.5
435.22339	8.7
440.55942	0.8
451.16727	1.3
453.23608	3.2
494.30920	2.5
495.15616	8.8
495.31061	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89014	0.3
55.01887	0.6
57.03448	0.6
58.00597	0.6
59.01383	15.0
61.98835	2.0
65.64497	0.3
67.26790	0.3
69.03474	0.3
69.26447	0.3
69.26794	3.3
71.01387	7.2
72.99318	1.2
73.02946	3.4
75.00878	8.5
83.01408	1.1
85.02969	3.0
87.00879	1.0
89.02454	3.2
95.01395	1.0
97.06575	0.3
99.00883	0.9
101.02451	5.1
111.00877	0.8
113.02457	2.4
117.01920	0.7
119.03513	0.7
119.05026	0.7
125.09708	0.9
126.90327	0.4
127.11366	0.5
135.04495	0.4
138.03548	0.3
143.10762	0.4
145.02925	0.8
155.10820	0.8
157.12349	0.9
161.02417	0.4
161.04514	0.6
168.05905	0.3
171.10263	1.5
175.04015	0.5
177.05508	0.3
184.03825	0.3
197.11865	0.7
201.11336	1.0
227.03459	0.5
227.09236	0.4
269.74875	0.3
271.02631	0.6
285.14142	0.4
295.22766	0.8
300.02744	0.6
307.06287	0.4
311.22131	0.3
313.20474	0.5
313.23782	4.0
329.23419	2.1
331.21368	1.0
331.24908	13.7
332.25238	1.1
351.20142	0.5
373.15475	0.7
373.26450	0.5
393.21191	0.9
433.27884	0.4
451.29303	0.4
475.29178	3.9
476.29593	0.6
491.28665	1.0
493.30215	100.0
494.30536	13.4
496.64734	0.4
504.20959	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.5
61.65751	0.6
61.98840	0.7
69.43832	1.5
69.44247	2.8
71.01371	0.6
76.07148	0.5
77.03973	0.7
85.74395	0.5
89.03973	0.5
91.04009	0.9
93.03511	0.8
95.05042	1.9
96.95971	0.6
98.19770	0.7
98.20329	2.3
105.03471	11.5
117.03509	0.6
121.02985	1.1
123.04556	1.1
132.02187	4.5
133.02971	45.4
134.03783	10.7
135.04555	4.5
137.02483	4.0
139.04013	1.3
145.03004	0.6
147.04559	2.6
148.05324	5.1
149.06032	1.9
150.03229	1.1
158.07388	1.4
160.01674	27.5
161.02455	22.9
161.06078	4.2
162.02988	1.6
175.04015	71.1
176.04335	4.1
177.01886	3.2
178.02693	2.2
179.03491	2.7
193.05067	5.7
194.02138	0.6
194.05173	0.6
204.11511	0.7
214.13530	0.6
233.08240	2.0
233.73526	0.6
243.19678	10.0
244.19943	0.8
247.09708	2.6
257.11856	0.6
261.11298	1.7
265.66489	0.5
275.13077	1.0
289.14499	2.8
293.68024	0.6
299.16586	1.8
303.16016	2.3
317.17587	5.3
319.22772	1.6
327.97348	0.6
331.18958	1.0
333.24261	2.3
345.20978	0.7
360.23242	0.8
387.21777	12.6
388.22238	1.0
401.23328	25.4
402.23630	3.3
405.22842	4.4
419.24399	45.6
420.24683	5.5
447.23880	0.9
478.25757	3.7
479.26083	0.8
493.28098	100.0
494.28433	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81903	1.5
53.41201	1.5
56.26649	1.5
58.00586	2.1
58.80080	2.2
59.01385	100.0
60.01703	2.0
67.21262	1.7
69.03489	1.8
69.59750	10.7
71.01388	38.9
73.02948	7.3
75.00880	10.9
83.01365	3.1
85.02955	13.6
87.00883	2.7
89.02451	33.8
95.01422	2.3
99.00864	3.1
99.04525	1.8
101.02454	29.8
103.68109	1.8
103.80745	1.6
109.02912	2.0
113.02455	22.2
119.03499	14.5
119.05028	3.8
143.03462	3.5
145.02975	5.7
159.03004	2.2
161.04564	16.9
163.03935	2.4
179.05545	11.9
184.81113	1.5
184.83237	1.5
186.62251	1.7
271.19089	5.0
285.04102	3.0
333.19440	2.1
373.22147	3.4
389.68756	1.7
391.23447	5.7
415.23416	2.8
428.72214	2.1
433.24466	49.4
434.24796	6.9
493.26968	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	493.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71168	0.7
54.68103	0.7
55.01877	2.2
57.03450	2.0
59.01382	100.0
60.01720	0.9
61.98836	2.9
69.03487	1.0
71.01385	25.9
71.17499	1.3
72.99307	1.6
73.02952	8.0
75.00873	1.3
83.01384	5.6
85.02959	14.6
87.00883	1.6
88.98808	4.5
89.02458	4.2
91.64851	0.6
95.01418	2.6
97.02968	1.7
99.00896	4.7
101.02448	17.8
101.03078	1.3
110.15900	0.8
111.00947	1.3
113.02464	10.1
125.02479	1.6
131.03549	1.5
135.04510	1.4
143.03551	1.4
148.05315	1.4
149.05869	0.8
154.43219	0.7
159.03105	1.1
161.04585	4.3
169.93576	0.8
236.33162	0.8
237.04089	0.8
250.15210	0.8
301.20163	1.2
319.21259	33.1
320.21753	2.6
361.22629	1.8
449.28943	0.8
451.25546	21.1
452.26056	2.9
480.41141	0.7
493.26776	7.4
494.27704	1.3
512.46484	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03468	0.3
59.01386	0.6
68.64149	0.3
69.37803	1.3
69.38228	1.2
75.20267	0.2
89.02447	0.4
91.04025	0.4
96.96025	0.4
111.00918	0.4
117.03474	1.6
121.02974	0.5
132.02199	0.6
133.02963	24.0
134.03780	6.0
135.04533	14.4
135.40865	0.3
136.04842	0.8
137.02425	3.5
139.04018	1.2
148.05315	0.6
150.03162	0.4
161.02454	100.0
162.02779	4.1
178.02727	1.1
179.03517	4.7
211.20647	0.7
235.06094	0.8
247.09824	0.3
257.21231	8.5
258.21393	0.3
333.24377	8.2
334.24811	0.6
357.24258	0.7
401.23352	45.4
402.18719	0.6
402.23682	5.9
419.24408	16.2
420.24667	1.9
493.28091	73.0
494.28412	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.1
61.98817	1.1
70.12000	0.6
72.68731	0.6
72.78781	0.6
73.12820	0.7
79.92200	0.6
91.04002	1.6
95.05024	2.2
99.94583	0.8
105.03472	8.6
117.03480	1.3
121.02959	0.9
123.04510	1.2
126.67827	0.8
132.02208	4.4
133.02962	41.5
134.03769	9.1
135.04556	5.5
137.02443	4.8
139.03978	1.6
147.04514	2.1
148.05321	5.0
149.06081	1.2
158.07324	1.8
160.01660	25.7
160.05299	0.9
161.02458	23.6
161.06021	3.5
162.02859	1.2
171.08165	0.9
175.04012	61.0
176.04314	2.8
177.01907	2.1
178.02737	3.0
179.03500	2.3
193.05054	5.1
194.02144	1.0
204.11508	0.9
204.76945	0.9
233.08203	1.4
243.19667	10.3
247.09843	2.4
261.11380	1.4
275.12943	1.6
289.14313	1.9
299.16513	1.3
303.16049	2.0
313.18173	1.0
316.23950	1.4
317.17523	3.0
319.22778	2.1
333.24472	3.3
356.29520	0.9
359.21838	0.9
387.21863	10.0
388.22504	0.8
401.23331	28.0
402.23712	3.2
405.22910	4.2
419.24411	40.5
420.24783	5.9
447.23557	0.8
478.25687	3.0
493.28082	100.0
494.28339	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98835	18.0
70.64063	4.4
71.01395	18.8
72.99341	2.0
73.02951	21.3
75.00877	16.9
75.69356	1.7
83.01397	4.6
85.02959	6.2
89.02437	6.8
93.03471	2.3
101.02444	19.6
109.02955	2.0
113.02460	8.9
117.03432	2.2
119.03538	3.3
126.60257	2.1
131.03514	2.8
143.03464	2.4
145.02950	5.5
149.04597	2.6
161.02386	5.1
161.04572	7.1
163.03906	1.9
165.05316	1.7
177.01984	2.0
197.11807	5.1
227.03554	1.8
271.19489	1.9
284.03183	2.3
321.37283	1.9
331.21158	2.6
373.22202	3.8
393.55829	2.3
462.67789	2.0
469.76843	1.9
493.29312	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	493.2446
Annotation	Glabcensin L
Peak:m/z	Relative Intensity
55.01890	0.9
57.03459	1.3
59.01384	100.0
60.01713	0.8
69.45065	1.8
69.45484	2.9
71.01383	12.6
72.48072	0.6
72.99318	0.9
73.02954	3.7
75.00890	1.2
79.62811	0.5
83.01391	1.9
85.02959	6.2
89.02452	4.3
91.54408	0.6
95.01413	0.8
96.84312	0.7
98.20660	1.1
99.00898	1.3
101.02457	7.2
113.02445	4.3
119.03532	1.0
137.06075	1.1
149.06076	0.7
157.12379	1.0
159.03018	0.7
161.04588	3.4
200.63008	0.6
219.88310	0.5
247.44897	0.6
251.12964	1.0
253.14426	1.1
289.18350	1.0
353.86713	0.6
370.22052	0.6
413.09744	0.6
419.65292	0.6
433.22125	3.2
449.45505	0.7
451.23361	12.9
452.24057	1.7
493.28552	7.6
494.28796	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57584	1.1
57.03429	2.3
58.00602	1.6
58.51487	1.2
59.01385	100.0
61.98843	4.4
68.86341	1.4
69.42207	10.6
71.01389	30.4
71.39483	1.2
72.90040	1.3
72.99321	2.5
73.02968	6.7
75.00879	5.6
83.01379	2.7
85.02957	11.6
89.02451	33.1
89.67578	1.3
92.08453	1.7
95.01403	1.9
101.02457	25.2
105.91365	1.6
113.02456	15.3
119.03527	14.1
119.05023	3.7
120.01279	1.5
123.04502	2.1
125.02464	1.9
131.03465	1.7
135.04488	1.3
143.03523	3.8
145.02988	2.7
147.03275	1.9
148.04057	2.2
161.02379	2.4
161.04610	8.6
179.05630	12.7
205.92815	1.4
254.85747	1.4
271.19162	6.1
283.10944	1.8
313.07364	3.5
327.09702	1.9
331.58618	1.5
391.23062	2.2
433.24420	44.3
434.24829	5.7
493.26196	2.8
494.19351	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	492.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	18.1
61.98839	2.5
66.52188	1.9
69.51898	13.7
71.01379	10.1
73.02958	3.5
75.00883	8.8
82.10699	2.4
85.02968	3.0
87.00907	2.5
89.02464	7.6
94.11736	2.0
95.05019	5.3
101.02463	4.5
109.02965	3.7
113.02455	3.6
119.04984	2.3
123.03292	5.1
131.03444	2.7
135.04501	5.0
138.05624	100.0
139.05916	4.1
145.02988	3.6
149.04593	3.0
157.05104	2.7
161.04559	4.7
161.05899	2.1
171.18558	2.5
191.05623	4.1
300.10931	17.0
397.11450	5.0
432.14990	20.1
493.11450	2.5
493.33005	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.6
61.98834	2.3
69.60030	5.3
71.01380	0.8
72.38445	0.9
75.00857	1.0
79.87520	1.0
83.01389	0.9
97.80556	0.9
99.92580	9.0
102.88821	1.0
111.54991	0.8
111.86861	0.9
116.92865	100.0
117.92863	4.5
120.73220	1.0
120.98980	0.8
125.02409	1.3
149.06088	1.8
161.02396	1.0
185.11731	1.4
187.08730	1.2
207.10167	1.1
211.13379	3.6
221.19212	1.1
245.19070	2.9
287.20111	2.1
289.18036	1.6
307.19284	1.2
331.19193	4.4
356.31943	0.9
375.18106	25.9
376.18497	1.8
383.22394	1.4
398.30490	0.9
458.10327	2.6
475.27087	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55729	0.4
53.78833	0.4
56.28149	0.3
59.01385	13.4
60.01722	0.6
61.01793	0.4
61.98835	100.0
63.77699	0.4
69.83213	2.1
70.90102	0.3
71.01370	2.5
71.98082	0.3
73.02942	1.0
75.00881	2.2
83.01395	0.4
85.02949	0.3
89.02466	1.4
101.02444	2.3
105.72716	0.3
109.02976	0.8
112.02065	0.4
112.15661	0.4
113.02463	1.2
116.17009	0.3
118.35297	0.3
119.03516	0.6
121.03020	0.4
123.04481	0.4
127.50581	0.4
131.89940	0.4
135.04578	0.6
139.09015	0.4
145.02994	0.7
161.02544	0.5
161.04668	0.4
196.82021	0.4
296.85220	0.4
387.77319	0.4
388.20764	1.2
433.24680	0.6
448.22806	0.9
466.66684	0.4
478.28058	0.4
493.10489	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65698	0.4
59.01384	15.7
59.01680	0.8
60.01717	1.2
61.98835	100.0
71.01388	3.1
73.02959	1.5
74.83060	0.4
75.00893	1.5
85.02972	0.4
89.02457	1.7
101.02430	1.9
109.02969	0.9
113.02478	1.3
119.03502	0.9
121.51226	0.4
123.04606	0.5
125.02488	0.5
131.03450	0.5
132.39531	0.4
135.04532	1.0
147.04857	0.4
149.48431	0.3
154.41246	0.4
161.04570	0.7
229.69864	0.4
248.20792	0.4
388.20721	2.0
406.21725	0.4
433.24341	0.5
448.22775	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35704	0.5
59.01372	2.3
66.86423	0.5
71.01381	0.8
71.51044	1.0
89.02469	0.8
91.04028	0.9
117.03474	18.2
119.05038	8.5
121.02944	2.9
125.11680	0.5
132.05774	0.6
133.02980	0.7
134.03671	0.6
145.02956	100.0
146.03328	3.6
156.05798	0.7
163.04015	5.9
163.48543	0.5
253.09329	1.2
255.23314	13.5
256.23691	0.5
271.22809	8.1
331.26428	6.7
332.26785	0.7
355.26447	1.4
399.25381	28.8
400.25595	3.5
417.26483	23.2
418.26804	2.5
491.30145	39.1
492.30539	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	491.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59316	0.3
58.68965	0.3
59.01373	1.0
59.90125	0.3
89.02465	0.6
91.04013	0.4
92.65083	0.3
117.03470	20.1
118.03731	0.6
119.05032	10.6
121.02968	3.2
123.04536	0.6
128.51283	0.3
133.02928	0.4
144.54587	0.3
145.02956	100.0
146.03294	4.2
162.03284	0.4
162.23569	0.3
163.04022	5.6
225.22205	0.6
264.05878	0.3
271.22772	8.6
272.23001	0.5
331.26361	6.6
332.26810	1.0
355.26483	1.7
399.25388	24.9
400.25708	3.3
417.26450	23.2
418.26904	2.3
491.30142	36.1
492.30457	5.5
507.48563	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.3
57.03439	0.1
58.00597	0.3
59.01383	4.8
69.03461	0.2
69.66689	0.2
69.67100	0.5
71.01389	4.7
72.99301	0.6
73.02959	0.8
75.00868	0.2
83.01390	0.6
85.02959	1.1
87.00882	0.6
89.02449	3.6
91.03973	0.1
95.01381	0.5
96.96066	0.1
97.02951	0.1
99.00895	0.2
101.01778	0.2
101.02448	4.6
102.02773	0.1
113.02454	2.4
115.04012	0.1
117.03466	0.2
119.03503	1.2
119.04958	0.1
125.02441	0.2
129.01981	0.1
131.03453	0.2
133.05107	0.3
143.03514	0.4
145.02971	1.0
149.04544	0.1
157.05119	0.1
161.04588	1.6
162.04912	0.1
169.59459	0.1
179.05650	0.4
235.08212	1.3
253.09303	14.9
254.09616	0.7
255.23300	100.0
256.23645	7.6
269.24512	0.1
399.25497	0.3
417.26440	0.2
491.30020	0.6
492.30450	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01904	0.8
57.03448	1.5
58.00616	0.6
59.01384	31.9
60.01731	0.3
61.98886	0.3
64.50752	0.3
69.03505	0.9
69.37760	2.6
71.01390	13.3
72.99302	1.5
73.02953	3.8
75.00885	2.8
76.06023	0.3
78.95954	0.8
83.01394	2.2
85.02957	5.9
86.00112	0.3
86.79263	0.2
87.00889	2.9
88.00101	0.3
89.02451	1.7
93.02809	0.3
95.01429	1.1
97.02994	0.7
98.19933	0.7
99.00897	1.8
101.02454	6.0
111.00929	0.9
112.01730	0.6
113.02474	3.2
113.03123	0.3
113.09761	0.5
118.99866	0.7
119.03536	0.6
121.45747	0.3
124.01736	1.1
125.02433	1.6
127.11363	0.4
132.02214	0.5
135.04539	0.5
136.01624	0.3
143.03520	0.5
145.03020	0.8
147.04616	0.4
148.05385	1.2
157.12381	0.4
160.01723	0.6
161.04654	0.4
173.02557	0.4
174.03290	0.5
175.04118	0.3
186.17339	0.3
200.04893	0.6
201.18407	0.3
215.07211	0.4
232.07454	0.4
241.21854	0.8
243.06679	0.3
244.11061	0.4
269.21240	2.4
271.22620	0.4
285.20792	0.9
287.22293	28.8
288.22678	2.4
299.16574	0.5
299.22195	0.7
301.23895	0.6
327.16092	0.7
329.23395	1.4
343.15515	0.4
353.13995	0.4
371.15054	3.0
413.25378	0.7
431.26547	21.2
432.26666	2.1
447.16663	0.4
449.27579	39.8
450.27945	4.9
473.27560	0.5
491.28632	100.0
491.86771	0.3
492.29022	13.2
500.67117	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.4
69.47912	3.6
69.48316	0.9
77.82377	0.5
85.19537	0.5
89.02436	1.0
117.03473	19.6
119.05042	9.0
121.02962	2.1
123.81256	0.6
145.02968	100.0
146.03300	3.9
162.03227	0.7
163.04037	5.0
177.69582	0.5
225.22273	0.7
271.22821	8.1
331.26382	6.5
332.26801	0.6
345.38629	0.5
355.26501	1.1
399.25427	27.8
400.25769	3.1
417.26486	21.7
418.26868	1.8
491.30194	42.9
492.30630	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	491.2866
Annotation	Bu 2867TF
Peak:m/z	Relative Intensity
52.82952	0.5
55.01877	0.6
55.14516	0.4
57.03438	0.6
59.01385	75.0
60.01722	1.1
61.98834	0.8
62.57280	0.4
71.01391	11.5
72.99316	0.7
73.02956	2.7
75.00882	1.6
83.01400	1.6
85.02951	3.5
85.53992	0.5
87.00874	1.4
89.02446	3.8
95.01411	0.7
99.00900	0.7
101.02449	7.4
113.02447	3.1
119.03539	1.0
125.02505	0.7
125.09726	1.5
143.03517	0.5
155.10843	0.8
161.04535	1.2
161.25874	0.5
171.10303	4.6
211.04042	4.1
212.04681	0.7
213.05859	0.4
227.07161	12.4
228.07527	1.3
229.61736	0.6
269.21185	2.5
287.14066	0.9
287.22333	2.5
311.22348	2.8
327.22028	0.5
329.23331	9.9
330.23770	1.2
371.15152	0.7
371.20502	0.8
371.24600	0.7
389.21729	3.1
431.22293	1.0
431.27286	0.9
449.27884	3.2
471.24710	0.5
473.27637	1.2
491.28656	100.0
492.29019	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	491.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.9
57.03453	1.7
58.00584	1.0
59.01384	96.8
60.01717	1.2
60.99311	1.2
64.46346	0.8
68.99809	1.0
69.03478	1.3
69.64034	4.0
71.01388	25.2
71.04993	0.8
72.01740	0.8
72.99314	3.1
73.02951	8.9
74.32038	0.8
75.00880	12.1
78.95895	1.1
81.03452	0.9
83.01402	4.0
85.02956	9.0
85.06619	0.9
87.00880	4.8
88.98811	6.8
89.02438	3.5
89.03953	0.7
93.03436	1.1
95.01414	2.0
97.02945	1.2
97.06604	1.1
99.00894	9.4
101.02454	14.5
109.02974	1.0
110.22369	0.9
111.00858	1.2
113.02466	8.7
118.99854	1.2
119.03506	1.4
119.05050	2.1
121.02969	2.0
124.01665	1.1
125.02422	3.2
127.11359	0.7
132.02187	1.4
133.02991	1.7
134.03734	1.2
135.04533	4.0
137.02478	1.5
143.03590	0.9
145.02983	3.8
146.03461	0.8
147.04539	4.6
148.05322	22.4
148.91005	0.8
149.05678	1.4
149.59547	0.7
150.03236	1.1
159.04495	1.0
160.01660	3.4
161.02368	1.7
161.04587	2.6
161.05904	0.7
163.04027	3.0
171.40176	0.9
172.05270	1.6
173.02461	1.1
173.06004	1.4
174.03198	3.6
175.04004	1.4
176.04828	1.0
186.06801	1.2
187.07668	2.8
191.03519	6.3
192.04245	2.9
197.87587	0.7
200.04797	1.0
201.09187	1.7
203.07243	0.8
207.17558	1.2
211.13242	1.0
214.06393	1.5
215.07065	6.0
216.07793	1.0
225.18533	4.4
229.08510	0.9
232.07426	3.9
233.08171	1.2
236.03256	1.3
243.06593	1.3
255.06694	0.7
269.17792	6.8
269.20871	5.0
285.20721	1.3
286.20901	1.0
287.09317	1.3
287.22284	21.2
288.10019	1.1
288.22610	2.6
299.16617	1.2
299.22046	0.9
309.15015	1.8
317.19708	2.5
325.14499	1.4
327.15897	4.2
329.13760	1.0
329.23355	1.5
343.15515	2.1
345.16837	1.0
353.13843	2.2
371.15051	8.4
372.15402	1.5
389.16351	0.8
389.21890	1.0
405.07767	0.8
431.26523	21.2
432.26938	2.8
447.16641	2.4
449.27637	32.9
450.27884	2.6
455.13605	1.0
491.28546	100.0
492.29071	12.5
498.26776	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2666
Annotation	Mucronine B
Peak:m/z	Relative Intensity
59.01373	1.4
66.03501	1.1
69.67623	3.1
71.02517	3.5
82.01720	0.8
97.00442	0.8
98.19957	0.6
99.02002	0.6
110.03604	1.2
115.08782	10.5
116.05025	1.2
118.06665	3.4
125.07202	2.7
126.05603	1.3
141.06712	4.9
146.06126	9.5
152.08319	1.1
153.06703	1.3
154.07489	0.6
157.05321	0.5
163.08768	0.9
168.07808	1.2
169.13445	0.5
170.09387	4.2
173.07265	1.3
174.05626	0.8
179.11879	4.1
184.00159	0.8
185.04916	0.5
189.06754	0.7
194.13107	0.7
196.14551	1.0
197.12845	0.6
200.10817	1.5
202.12276	0.8
214.15569	4.0
217.13431	1.0
222.12477	0.8
227.11897	3.0
228.10234	2.4
240.07771	1.5
240.13440	0.9
245.13034	3.4
248.07967	0.7
262.15714	2.7
269.16278	1.0
299.17712	0.7
326.18680	6.0
344.19766	1.9
491.26645	100.0
492.26886	14.0
516.23602	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.25
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52551	3.1
57.03455	3.9
59.01102	5.3
59.01385	100.0
61.98824	4.9
70.64044	9.1
71.01380	19.3
72.99298	3.7
73.02946	5.7
75.00883	14.2
78.95918	3.0
83.01369	3.1
85.02951	7.0
87.00870	5.2
92.08826	3.1
99.00862	5.9
101.02452	8.7
112.77650	3.0
113.02457	3.6
119.05042	4.5
125.02443	8.5
135.04543	6.1
137.02425	3.2
148.05273	15.6
149.05957	3.4
159.04605	4.0
165.05551	5.1
167.03589	3.3
191.03456	5.2
243.19653	27.5
255.85370	3.3
324.21359	3.3
349.53976	3.2
352.82779	3.5
358.45920	3.2
371.15039	7.3
373.32913	3.2
387.23849	13.3
405.24844	38.7
406.20142	3.0
406.25296	4.1
447.26059	84.0
448.26270	6.1
491.29703	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	491.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46597	0.4
57.03453	0.5
59.01384	100.0
60.01718	1.0
61.98785	0.4
69.29758	1.8
69.30189	2.2
71.01392	4.2
73.02964	2.2
75.00881	1.8
83.01406	1.2
85.02944	2.9
89.02503	0.7
99.00916	1.0
101.02453	4.9
109.02946	1.1
113.02476	2.1
122.44646	0.4
125.02467	0.7
143.03600	0.7
153.01982	1.2
161.04568	2.5
190.53639	0.4
209.15550	0.5
237.34966	0.5
297.06158	0.9
301.02850	0.4
341.85248	0.5
371.20746	2.5
384.83969	0.5
389.21802	9.8
389.26471	0.7
390.22501	0.7
431.22934	4.3
491.12546	1.2
498.56885	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.25
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01414	0.4
57.03446	0.6
59.01384	100.0
60.01711	1.1
60.29391	0.4
63.86449	0.5
70.88613	1.1
71.01394	6.0
72.99308	0.7
73.02955	6.2
75.00874	5.7
77.13515	0.4
83.01404	1.1
85.02979	2.3
87.00876	2.0
88.70343	0.4
89.02462	1.2
92.98139	0.4
99.00885	4.3
101.02448	4.1
104.91120	0.4
110.13111	0.5
113.02448	2.6
120.72451	0.5
127.36446	0.4
134.03758	0.5
135.04529	1.7
136.01669	0.9
141.01741	0.5
147.04526	1.4
148.05315	8.6
151.02306	0.4
159.04398	0.7
160.01694	0.8
161.02419	0.6
161.04587	1.6
162.03262	0.4
163.04025	1.2
172.05269	0.9
174.03224	1.2
186.06868	0.9
187.07645	1.5
189.12303	0.4
190.06358	0.5
191.03514	2.8
192.04291	0.8
201.05579	0.7
201.09209	0.9
203.07059	0.5
211.13335	0.6
214.06348	1.2
215.07077	3.4
229.08632	0.8
233.08208	0.5
243.06680	0.9
243.10251	0.7
255.06615	0.5
256.07681	0.6
269.21317	0.9
287.09299	0.8
287.22299	5.7
308.25537	0.5
353.14014	1.0
371.14984	2.4
389.16306	0.8
389.22025	1.3
390.22433	0.5
429.15790	1.0
431.26794	2.9
447.16711	0.6
449.27661	5.8
464.13376	0.5
491.28650	24.5
492.29205	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	491.25
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28879	0.4
59.01383	100.0
60.01727	0.9
61.98820	0.7
69.26640	1.6
69.27064	2.1
71.01392	1.0
75.00870	2.3
89.02464	0.5
101.02449	0.7
113.02462	0.4
114.95898	0.4
118.99886	0.7
120.57011	0.4
129.29147	0.3
172.05286	0.4
222.67140	0.4
227.03551	0.5
255.28162	0.4
283.13544	0.9
309.15012	1.6
327.15976	1.0
329.14035	1.0
353.14056	1.5
371.14963	3.7
372.15265	0.6
389.22000	0.6
491.28561	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71507	0.6
59.01384	100.0
69.59294	1.6
69.59703	3.0
75.00916	0.9
89.02470	0.6
101.02434	0.8
108.62581	0.6
113.02448	1.0
135.04556	1.0
151.00404	1.7
157.97769	0.6
175.03989	1.2
195.51796	0.6
286.04266	0.9
287.05615	1.0
287.14282	1.2
336.79846	0.7
431.23340	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38111	0.5
59.01384	100.0
60.01708	0.8
64.20698	0.6
64.81789	0.6
69.71221	1.9
69.71635	1.5
71.01381	6.8
73.02958	11.5
73.03347	1.0
75.26736	0.6
75.28658	0.6
83.01387	3.8
85.02968	1.0
87.00887	0.6
88.20908	0.5
89.02462	1.7
98.19837	0.6
101.02447	14.0
101.91627	0.6
113.02457	4.5
119.03537	1.7
131.03523	1.4
139.36951	0.6
143.03549	1.6
149.04604	2.2
155.03622	0.6
156.25612	0.6
161.04556	3.7
163.32564	0.5
221.06706	1.1
309.52069	0.6
371.33731	0.6
373.99252	0.6
389.21811	1.1
431.22971	0.6
491.20709	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12835	3.1
59.01383	100.0
61.98843	13.9
70.74480	8.2
71.01389	13.1
71.75488	2.5
73.02952	13.0
89.02445	9.7
101.02440	11.6
113.02443	10.3
119.03511	3.3
120.24950	2.7
161.04507	4.2
202.71387	3.1
243.15941	6.6
314.13782	3.0
387.20099	14.2
388.20486	2.7
389.60013	2.8
405.21243	7.1
432.97394	2.6
447.22281	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01724	0.9
61.98834	1.3
69.28630	0.9
69.29037	3.5
71.01381	0.8
73.02965	0.7
75.00863	1.1
75.08012	0.5
85.02942	0.9
87.68942	0.5
89.02449	0.6
92.44802	0.4
95.38538	0.5
98.20641	1.1
101.02469	1.0
118.48344	0.5
128.56963	0.5
161.04674	0.5
180.61588	0.4
230.56168	0.5
247.09848	0.6
328.02310	0.7
363.19083	0.5
389.21951	1.4
431.22751	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93423	0.4
58.14827	0.3
59.01383	100.0
60.01719	1.2
70.15972	1.4
71.01387	1.0
72.62311	0.3
75.00883	0.8
89.02479	0.4
101.02488	0.4
109.03039	0.3
113.02494	0.5
115.18353	0.3
124.07705	1.0
135.04539	1.0
151.00433	0.6
175.04039	0.9
181.87817	0.3
226.08804	0.4
227.03526	0.3
268.82138	0.3
287.14175	1.4
491.11423	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.4
59.01381	52.3
69.65108	3.8
69.65520	2.4
71.01389	18.2
72.99322	2.8
73.02951	6.4
75.00877	9.1
81.41254	0.9
83.01387	4.1
85.02955	6.7
85.06566	1.2
87.00865	3.9
88.98810	2.8
89.02442	2.8
95.01407	1.8
99.00906	5.2
101.02449	10.2
113.02468	5.2
116.70688	0.9
121.02951	1.9
125.02440	2.6
133.02985	1.3
134.03745	1.5
135.04538	2.3
136.11821	0.8
145.02937	2.8
147.04518	2.4
148.05272	11.1
155.14362	1.4
160.01561	2.1
163.04024	1.7
172.05325	1.1
175.03952	1.3
188.08572	0.9
191.03499	3.7
192.04292	1.2
199.13423	2.2
201.09172	2.1
204.14665	1.0
215.07082	2.3
227.07178	1.3
232.07376	2.3
241.21667	1.3
243.06557	1.6
259.09784	1.1
269.21262	4.8
285.20541	1.3
287.22287	23.6
288.09949	1.0
288.22598	2.3
300.76266	0.9
309.14865	1.4
327.15930	1.7
343.15292	1.1
353.13696	1.8
371.14920	4.9
387.20395	1.4
405.21426	2.3
431.26498	17.9
432.26230	1.3
447.16531	1.8
447.22263	14.0
448.22961	1.8
449.27539	33.5
450.27875	4.0
491.28638	100.0
492.29004	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	491.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82879	2.2
57.03452	5.0
58.00586	2.1
59.01385	100.0
60.01699	2.4
61.98838	3.8
64.20717	2.2
71.01391	33.3
71.01775	3.6
72.99311	2.6
73.02955	16.7
75.00882	12.5
83.01392	5.6
85.02961	7.0
87.00896	3.0
89.02468	10.5
93.03461	2.9
95.01409	3.5
97.02953	2.3
101.02444	21.7
109.02961	10.4
113.02447	14.5
119.03504	3.3
121.02956	3.8
123.04527	4.6
125.02477	3.9
135.04556	13.1
137.02429	5.0
138.01959	5.1
145.02959	2.6
149.02414	4.2
149.06084	5.0
151.04045	10.6
159.04504	5.0
161.02452	4.9
161.04504	5.7
167.47272	2.4
175.04016	2.5
177.01881	7.6
179.03531	3.9
179.05569	3.0
189.05498	3.0
195.50998	2.2
252.04517	2.5
253.05136	4.8
279.06558	2.6
280.03598	4.5
319.05792	3.7
387.20197	9.7
405.21530	3.9
429.09372	2.8
447.22482	3.1
491.11316	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	491.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42332	1.3
58.69782	1.2
59.01383	100.0
63.54986	1.5
71.01391	8.8
72.99297	2.2
73.02956	5.9
75.00865	6.9
83.01405	1.2
85.02958	3.2
87.00908	1.5
89.02450	4.5
101.02457	6.7
113.02454	3.7
132.33464	1.2
155.10785	1.3
155.14398	1.6
199.13362	3.9
226.30305	1.3
309.15076	2.6
353.14093	1.8
371.14877	6.2
387.20294	3.2
389.21826	1.5
405.21249	5.7
447.22357	20.3
448.22675	1.9
491.28662	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01701	1.1
61.98829	4.2
69.78368	1.1
71.01381	17.8
72.99335	1.4
73.02946	13.5
75.00874	12.8
83.01398	3.6
85.02981	3.6
87.00886	2.2
89.02463	6.7
92.50468	1.1
101.02448	14.2
109.02965	3.0
113.02438	5.4
119.03526	1.7
121.02967	2.1
133.02953	1.4
135.04543	2.1
136.04802	1.5
143.03519	1.4
145.02966	2.6
148.05386	1.0
150.03203	4.0
153.12816	3.0
159.04462	2.9
160.04892	1.8
161.02454	2.0
161.04573	2.2
161.14494	1.1
163.07654	4.2
172.05037	1.6
174.03236	1.6
175.04030	2.8
178.99887	2.0
185.06075	1.2
188.19218	1.2
199.04021	2.1
200.04587	3.8
201.04662	1.3
203.07167	3.5
215.07147	3.8
227.03406	2.5
229.08682	3.1
229.45416	1.2
233.08104	3.5
241.04967	2.6
242.05357	4.1
243.05574	1.3
247.09766	12.2
255.03017	2.7
256.52872	1.1
269.17700	1.6
271.02451	6.8
283.02475	2.9
283.13440	4.5
284.06277	1.4
285.06702	1.6
309.03995	1.3
311.04755	2.2
327.15955	4.4
328.02307	11.3
329.02969	8.5
329.19696	1.5
337.05994	2.6
371.14990	3.2
387.19885	1.7
405.08774	2.8
405.21198	2.9
431.22961	4.9
447.09924	5.1
447.22284	24.8
448.22894	2.8
491.08414	8.6
491.28854	18.1
492.29132	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24681	0.2
59.01385	8.1
60.01721	0.4
61.98835	100.0
70.30555	0.9
71.01378	0.6
73.02955	0.7
75.00880	0.2
85.02977	0.3
89.02491	0.4
98.19926	0.3
101.02468	0.6
103.04016	0.4
119.05035	1.2
120.05387	0.7
300.02518	0.3
309.10770	0.3
310.11441	0.3
399.26178	0.3
432.59906	0.2
471.37170	0.3
474.30643	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50159	1.5
59.01374	4.9
69.82517	9.0
72.99324	1.5
73.02952	6.3
81.20492	1.4
85.02964	7.5
98.20700	1.9
107.05029	3.0
109.02956	18.6
114.70435	1.4
114.82681	1.4
121.02958	4.6
122.03754	3.8
123.04525	7.8
131.04980	2.3
132.41115	1.3
135.04532	54.9
136.04839	1.7
136.15968	1.6
137.06102	12.8
138.48286	1.5
139.04027	2.2
140.48506	1.5
149.02477	5.3
149.06065	7.3
150.03238	15.7
159.04547	20.4
161.02437	4.6
161.06032	2.4
162.03256	21.8
163.03885	2.4
164.04768	6.7
165.05579	66.9
165.75517	1.5
166.05992	2.4
171.22350	1.5
175.04010	13.8
176.04750	3.0
177.05580	100.0
178.05901	5.6
179.03532	5.9
180.04259	2.5
181.05061	8.6
189.05591	15.3
192.04271	2.6
195.06641	7.7
207.06627	17.6
209.04562	16.3
219.06528	2.1
221.04561	37.4
222.04890	2.6
225.92662	1.4
231.06647	4.3
239.05615	75.9
240.05940	3.6
240.97968	1.5
249.07669	8.5
267.08786	2.4
294.99564	1.6
312.10977	1.5
369.11844	4.7
371.09845	19.5
383.09796	5.2
393.12033	1.8
401.10892	82.0
402.11319	7.0
411.12842	2.3
431.11935	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	491.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	42.2
61.98833	2.2
69.68176	8.8
70.55173	1.4
71.01387	5.9
72.99316	6.8
73.02954	3.7
75.00878	32.9
75.34560	1.2
85.02931	2.7
87.41618	1.2
89.02468	3.4
95.01382	3.0
98.19875	2.6
101.02455	4.4
107.01119	1.4
109.02884	1.8
113.02447	2.5
118.99880	19.3
135.04561	1.7
146.03773	1.7
155.10849	2.2
158.03777	1.3
159.04520	4.0
160.05367	1.9
161.02440	2.2
172.05273	12.4
173.06012	2.3
175.03964	3.6
185.06017	1.5
187.03984	3.0
187.07614	2.1
197.06114	4.2
198.06844	2.8
199.04053	13.0
200.04741	9.4
201.05576	1.7
203.07140	2.1
204.04306	2.1
211.04060	4.0
211.07767	2.0
213.05603	1.3
215.06924	1.4
226.08672	2.3
227.03522	40.0
228.04236	19.9
229.04370	1.4
236.07126	1.7
247.09807	2.1
257.15466	1.9
267.13910	2.6
283.13416	59.1
284.13721	6.7
297.12149	1.5
301.14499	16.1
309.14941	15.8
310.15393	2.5
311.12943	7.9
325.14352	3.8
327.12299	9.4
327.16083	10.6
328.12683	1.5
329.13882	3.9
345.13254	3.2
345.17120	7.2
353.13983	16.2
359.14996	2.2
371.14990	100.0
372.15402	9.3
385.16571	2.3
403.13583	2.5
447.16400	1.5
491.29059	7.4
513.01508	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00606	0.3
59.01385	4.1
71.01397	3.8
71.81654	0.3
72.99316	0.5
73.02946	1.0
77.09845	0.3
83.01413	0.5
85.02943	0.7
87.00871	0.5
89.02453	2.7
89.90654	0.2
98.19844	0.7
101.02448	3.5
105.53987	0.3
113.02450	0.9
119.03503	0.9
119.92127	0.2
133.05058	0.4
133.67545	0.3
135.23871	0.3
143.03456	0.4
161.04491	1.3
179.05681	0.4
229.26736	0.3
232.60173	0.3
235.08250	1.1
253.09314	12.0
253.21735	100.0
254.09554	0.6
254.22083	7.7
340.96301	0.3
342.58847	0.4
384.17572	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34626	0.9
57.03452	1.2
59.01383	100.0
60.01723	1.6
61.98819	2.0
62.73736	1.0
67.53436	1.0
69.45734	5.6
69.46147	2.1
71.01385	11.6
72.99270	1.0
73.02956	5.3
75.00866	3.4
78.95909	0.9
82.74281	0.9
83.01401	2.0
85.02948	3.1
87.00877	2.4
89.02457	3.8
90.48452	0.9
99.00900	1.7
101.02441	8.1
109.02889	1.0
113.02465	3.6
114.06659	0.8
115.17060	0.8
119.03554	1.1
119.05040	0.9
121.03040	1.1
135.04507	1.0
148.05229	0.9
161.02432	1.0
161.04480	1.3
193.01451	1.3
196.63718	1.0
207.13934	3.0
267.19696	1.6
285.04010	1.0
285.20691	3.0
297.04108	2.9
313.03473	2.3
315.05115	1.0
342.03937	5.9
343.04575	8.4
369.19370	4.7
387.20227	8.3
429.20929	4.4
429.25204	3.5
445.23895	1.1
447.26047	3.7
471.26382	1.1
489.10522	4.7
489.26819	18.0
490.27402	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77511	1.0
54.09093	0.8
55.01866	1.8
57.03440	3.0
58.00618	1.0
59.01385	76.8
60.99300	1.3
61.98815	1.6
69.03445	1.4
69.26473	9.7
71.01392	20.5
71.57691	1.0
72.17352	0.9
72.99306	2.9
73.02963	6.7
75.00876	2.5
83.01380	4.5
85.02965	8.7
86.00120	1.0
87.00883	4.5
88.98801	3.9
89.02448	3.9
93.03483	0.9
95.01403	2.8
97.02933	2.0
97.06573	3.5
98.20665	2.2
99.00900	1.6
101.02452	11.3
107.71067	0.9
111.00892	1.0
113.02473	6.7
119.03484	1.4
124.01710	1.0
125.02442	3.8
125.09740	1.3
135.04462	0.8
139.07623	2.0
141.09222	5.9
143.03520	0.9
145.02942	1.0
157.08701	3.5
161.04562	2.9
187.13313	1.0
203.09259	18.9
239.20174	1.9
243.12416	4.7
245.37019	1.0
265.10678	0.9
267.19675	3.3
285.20737	24.9
286.21191	1.7
303.14478	1.8
303.17960	2.2
309.20520	1.1
315.18112	1.5
327.21780	1.2
399.20209	1.4
429.20035	1.5
429.25021	23.1
430.25168	2.0
447.26074	40.1
448.26108	5.6
471.26242	2.0
489.27109	100.0
490.27484	12.8
513.95435	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24261	0.8
54.47445	0.7
55.01874	1.7
57.03445	1.6
58.00597	1.9
59.01384	100.0
60.01715	1.7
65.51010	0.8
66.20596	0.7
69.03448	1.4
69.45656	4.6
69.46081	1.5
71.01387	43.0
72.99284	1.7
73.02955	15.2
75.00860	1.4
83.01404	7.7
85.02956	16.8
87.00883	3.2
89.01907	1.6
89.02451	25.0
95.01393	3.4
97.02956	2.6
98.19744	0.7
99.00874	3.7
101.02450	27.1
108.02191	0.8
109.02953	2.0
111.00876	1.9
113.02462	21.3
119.03511	7.5
124.76848	0.7
125.02437	3.2
125.09809	0.9
131.03514	14.1
135.04498	1.4
143.03506	5.0
145.02971	1.0
149.04552	9.1
155.03464	0.9
155.24347	0.8
161.04588	6.0
179.05621	4.8
191.05624	14.6
203.05554	1.3
215.05592	1.5
217.08687	0.8
221.06691	0.9
233.06641	4.0
251.07669	0.7
285.20645	2.6
315.18091	3.3
365.14008	1.9
429.20679	1.3
429.25516	1.8
447.21777	10.1
489.27570	13.8
490.27429	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.8
56.62144	0.3
57.03448	1.0
59.01382	100.0
59.67542	0.3
60.01700	0.8
64.90955	0.3
69.03479	0.4
71.01389	6.4
71.01759	0.4
71.13564	0.8
72.99329	0.9
73.02945	2.3
81.03480	0.5
83.01399	0.9
83.05028	0.5
85.02953	5.5
87.00877	6.2
87.01366	0.5
89.02454	2.2
89.19460	0.3
93.03455	0.6
95.01406	0.7
97.02970	0.9
97.06631	0.4
99.00878	2.4
101.02443	3.9
108.02203	1.0
108.16856	0.4
111.04557	0.5
113.02457	6.2
123.04557	2.5
125.02460	1.0
125.06087	1.8
129.01964	0.6
131.03459	0.4
139.04034	0.5
141.05608	1.4
143.03557	1.6
151.04079	0.5
153.05617	0.6
156.99706	0.4
159.02988	0.7
161.04533	2.4
169.05112	0.8
208.89369	0.4
233.06587	0.5
273.05179	0.4
275.07687	0.4
315.18069	1.7
355.17877	0.4
396.79541	0.4
429.21249	6.4
430.21429	0.6
447.22299	9.1
448.22961	1.0
464.74088	0.4
489.27399	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	0.5
56.41650	0.6
56.55273	0.5
58.38825	0.5
59.01384	100.0
60.01714	0.9
60.74874	0.5
71.01389	2.6
71.55215	1.0
73.02960	2.3
75.00891	1.6
78.32167	0.5
83.01419	0.7
85.02932	1.3
101.02451	3.6
107.41331	0.6
113.02473	1.9
145.02992	0.8
161.04599	1.2
186.13260	0.5
211.57991	0.5
227.03535	2.9
255.02995	7.8
256.03473	1.0
284.03333	11.6
285.04019	6.9
317.10529	0.6
369.19333	0.9
387.20386	2.8
429.08258	0.8
429.21545	1.2
448.67398	0.6
489.10532	6.1
490.10718	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71059	0.3
59.01383	100.0
60.01725	1.4
61.98834	1.8
69.60127	0.7
69.60532	2.3
71.01385	2.7
72.99301	0.5
73.02962	0.8
75.00879	3.0
83.01398	0.4
83.08514	0.5
85.02968	0.7
89.02459	1.2
93.03474	0.5
98.20661	0.7
99.00851	0.4
101.02454	2.2
109.02995	0.5
113.02445	1.0
119.03510	0.6
119.05007	0.9
129.56398	0.4
135.04567	0.6
138.57854	0.3
139.49747	0.4
145.02991	1.8
159.04468	0.5
161.02477	0.5
161.04610	0.9
163.04013	0.6
221.04491	0.5
243.03079	0.5
300.02789	0.6
311.06018	0.4
387.20404	0.8
413.49597	0.4
429.21289	1.1
489.23746	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57583	0.4
55.01881	1.5
57.03449	1.7
58.00614	0.8
59.01384	100.0
60.01711	1.0
61.98845	0.5
66.35022	0.4
69.03468	0.9
71.01389	32.3
72.82084	0.5
72.99332	0.6
73.02951	10.8
73.03345	0.8
75.00876	1.5
83.01400	3.8
83.57024	0.5
85.02957	13.8
85.03447	0.9
85.27103	0.5
87.00887	1.7
89.02452	7.5
95.01417	2.0
95.59014	0.5
97.02976	1.3
99.00878	5.4
101.02450	16.7
111.00903	0.5
113.02456	12.9
114.02806	0.6
119.03555	1.3
125.02493	1.4
129.01971	0.6
131.03535	1.8
143.03546	2.0
145.02977	0.9
148.83997	0.4
159.03008	2.0
161.04561	11.5
191.05714	0.7
267.19736	0.6
285.20767	0.8
297.17276	0.9
315.18127	18.1
316.18582	1.8
357.19449	2.7
357.24844	0.5
385.26840	0.6
429.25201	1.2
438.92291	0.5
447.22147	18.7
448.22684	2.5
489.23132	3.4
489.28870	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	489.083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	58.2
61.98844	2.5
67.75247	1.8
71.01395	11.4
71.62177	2.4
73.02951	9.5
73.82192	1.6
75.00866	4.5
85.02958	7.0
87.00890	2.1
89.02444	3.9
94.50864	1.6
95.01410	2.0
99.00900	1.7
101.02438	8.0
107.19662	1.7
108.02158	1.5
109.02956	33.0
112.93233	1.5
113.02458	6.4
117.03472	2.2
119.03516	2.0
119.05043	1.8
121.02975	3.0
123.04554	2.2
131.03500	5.6
131.05011	3.5
133.02948	5.6
135.00813	2.8
135.04533	36.1
143.05016	7.5
145.02968	7.3
146.03758	2.5
147.04486	4.0
158.03735	3.6
159.04521	45.8
160.05055	2.1
161.02431	14.3
161.06026	3.8
163.07643	1.6
169.02896	2.2
171.04541	26.0
172.05199	2.7
173.02307	1.9
173.06036	3.4
174.03294	3.0
175.04063	8.3
176.01103	2.6
177.05496	2.2
177.42795	1.7
183.04509	3.8
185.06070	9.2
189.05618	4.8
195.04427	4.2
196.05226	4.4
197.02483	2.5
197.06049	7.7
198.03236	19.4
199.04004	58.3
200.04480	4.6
201.01962	1.8
201.05769	2.0
203.03500	8.5
209.06140	4.9
211.04015	5.8
212.04688	6.1
213.05522	13.6
214.02673	3.3
215.03487	4.5
216.04167	2.0
217.05049	6.4
221.06059	2.7
223.04048	2.6
223.07597	2.3
224.04736	3.0
225.02043	2.1
225.05573	1.8
226.02641	3.6
227.03410	5.2
235.07671	3.3
237.05557	7.7
238.06282	2.3
239.03496	3.9
239.07147	5.1
240.04305	25.8
241.05066	100.0
242.05463	5.7
243.03056	6.3
245.04507	9.6
248.04781	2.8
249.05505	5.8
250.06306	2.1
251.07103	3.4
252.04263	2.1
253.05045	4.3
254.05969	1.9
255.06570	2.5
263.07065	3.8
264.04166	2.2
264.07828	2.1
265.04971	5.9
266.05728	6.0
267.02954	7.4
267.06509	9.4
271.07605	2.0
279.06671	3.3
280.03906	2.2
281.04529	7.5
281.08160	5.3
283.02936	3.5
283.06146	73.6
284.06500	6.2
285.04050	16.3
285.20715	3.8
288.07739	2.3
291.06741	7.6
292.07120	2.0
293.04565	4.2
307.06122	5.0
308.07108	10.2
309.04099	35.8
309.07587	4.0
310.04523	2.1
313.08838	2.0
315.17920	2.8
316.07419	2.2
317.04761	2.7
317.08264	6.6
323.05585	21.3
324.06204	2.4
331.09686	2.2
335.05603	41.7
336.06116	6.4
357.07672	2.8
359.09317	8.6
375.09061	2.2
401.05960	2.7
401.10507	4.3
402.07388	3.2
403.03107	2.4
403.08240	34.5
404.08585	5.1
428.53702	2.0
429.24905	2.9
445.09317	85.5
446.09595	13.7
447.26154	5.0
459.18091	2.8
474.16846	3.4
489.19177	18.2
489.27045	26.5
490.19717	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.9
57.42133	0.6
59.01386	100.0
60.01750	1.0
69.17963	0.8
70.12585	2.7
71.01389	4.9
73.02956	2.2
75.00872	3.5
85.02977	2.0
89.02468	2.8
95.05031	1.2
99.00906	0.9
101.02461	5.0
109.03015	0.8
113.02502	2.4
115.92109	0.8
119.03545	1.1
119.05030	1.0
135.04570	0.9
135.08171	1.7
145.03027	1.4
150.32800	0.9
151.11340	3.5
161.04607	1.5
172.75935	0.8
177.09332	1.0
195.10274	7.0
209.41132	0.7
210.46349	0.7
241.14474	1.5
290.61008	0.7
293.22116	0.9
385.18835	2.2
403.19812	5.8
429.21188	1.4
445.21027	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03474	1.8
59.01382	7.3
61.01779	1.3
61.98836	100.0
70.04828	3.7
70.05225	2.6
71.01385	2.4
72.29113	1.2
73.02920	1.4
75.00890	4.2
77.89931	1.3
78.95921	1.4
83.01418	1.9
83.70322	1.3
86.93572	1.5
89.02445	1.8
92.99616	1.4
93.46038	1.3
98.20590	2.6
101.02436	1.7
103.95179	1.3
110.15575	1.3
119.05026	2.8
129.55518	1.3
134.90768	1.4
152.99588	5.2
207.59178	1.4
223.20651	7.7
238.09166	1.4
249.18596	13.5
250.18932	26.1
251.19264	16.2
252.19579	9.1
253.09323	1.7
253.17213	1.5
255.09723	3.2
265.21753	22.6
279.03012	1.7
289.21732	5.9
307.22794	13.2
328.50143	1.5
351.21649	6.6
425.25461	55.2
426.25632	5.7
473.69229	1.4
513.15991	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.5
61.98833	100.0
70.04025	10.0
71.55256	2.5
75.00884	5.4
78.11436	1.9
83.01409	4.8
86.99447	2.1
134.77754	2.3
223.20782	10.7
265.21692	19.8
289.21539	5.6
307.22897	14.5
351.21649	3.0
425.25464	58.0
426.25943	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	489.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11241	1.4
53.79905	1.5
59.01384	48.6
69.45377	14.1
71.01395	3.0
73.02947	11.0
75.00893	3.8
98.20605	2.9
99.89759	1.4
101.02457	3.0
108.02212	3.6
109.02968	33.3
113.02431	1.9
115.05531	2.1
117.03520	1.9
130.04256	2.3
131.05080	3.0
132.02148	2.1
133.02971	7.2
134.03748	1.9
135.01007	2.1
135.04536	41.8
136.04874	2.0
137.02432	2.2
143.05026	9.6
145.02951	6.1
147.04507	2.2
153.03378	2.5
158.03719	4.8
159.04529	44.3
160.04964	2.3
161.02464	16.3
163.00377	2.0
169.02861	2.4
170.03732	1.7
171.04507	27.9
172.04982	3.0
173.02460	2.7
173.06068	3.1
174.03188	2.9
175.04021	4.1
176.01213	2.8
181.02954	3.3
182.03749	5.2
183.04514	5.2
185.06129	10.4
185.07471	1.8
187.04091	2.7
189.05560	3.4
195.04512	6.3
196.05162	2.2
197.02461	4.4
197.06044	6.3
198.03241	21.7
199.04016	62.1
200.04422	2.3
201.01938	3.9
201.05600	3.4
203.03476	6.7
209.06021	5.0
211.03976	7.1
212.04736	7.0
213.05530	12.0
214.05962	1.8
215.03392	2.6
216.04219	2.2
217.05054	12.3
221.06152	2.7
223.03911	4.8
224.04692	3.4
225.01793	1.7
225.05641	2.7
226.02687	6.1
227.03539	5.9
233.06000	2.1
235.07616	2.8
237.05540	4.6
239.03500	6.6
239.07202	1.8
240.04305	23.9
241.05069	100.0
242.05525	7.6
243.02914	10.4
245.04428	8.9
247.07787	1.8
248.04706	2.3
249.05544	3.4
261.05649	2.6
263.07074	3.5
264.04242	1.8
265.05035	7.6
267.02960	6.5
267.06598	5.3
268.03714	1.8
277.05014	2.8
279.06561	5.1
280.03702	2.0
281.04584	6.2
283.06134	59.2
284.03412	1.8
284.06467	6.1
285.04074	16.3
285.17538	1.9
291.06662	10.3
293.04541	6.4
294.05164	1.9
295.06351	2.3
300.07669	1.8
307.06052	6.0
308.06958	10.0
309.04080	37.2
309.07419	2.8
315.06482	3.3
316.07437	4.0
317.08124	5.0
322.04984	1.7
323.05606	21.9
335.05600	41.6
336.06146	7.8
358.08127	1.9
359.09268	7.8
387.20551	1.7
401.10706	3.3
402.07294	4.6
403.08228	34.7
404.08755	4.0
445.09305	70.5
446.09613	10.5
489.27045	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	488.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81882	4.9
54.87960	4.7
57.03446	9.7
59.01384	100.0
61.98830	19.5
65.04052	4.6
71.01399	8.8
71.61104	7.8
72.44984	4.2
72.99335	4.9
73.02988	6.6
75.00879	28.1
79.27551	4.2
80.43319	4.5
85.02921	6.0
89.02446	5.8
92.56275	4.4
95.64736	4.6
101.02502	7.0
119.04952	3.9
125.02448	44.7
140.60075	3.6
141.11945	4.0
166.53673	4.3
173.02388	4.1
308.50040	4.8
425.21735	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	8.0
59.01385	77.1
61.98838	35.6
70.62801	6.4
70.63145	8.9
71.01371	5.4
73.02966	3.9
75.00877	19.4
77.55875	4.0
80.84808	3.7
83.01414	7.6
87.22807	3.6
104.22703	3.9
113.02429	4.6
125.02467	100.0
126.02811	6.5
139.61545	5.9
163.89853	3.7
181.16037	3.9
200.75781	3.6
241.17999	5.5
275.81796	3.7
279.02875	7.6
304.52829	3.9
307.19266	12.9
381.22772	4.4
425.21783	85.7
426.21967	11.2
502.57986	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21386	5.5
59.01387	100.0
70.28003	4.8
71.01391	33.0
73.02968	11.2
75.00883	7.8
83.01405	8.5
85.02961	23.0
98.20627	13.0
101.02454	31.3
113.02464	12.9
143.03529	5.7
161.04561	5.0
217.99995	4.7
233.68619	5.0
255.99197	4.3
380.84064	4.5
383.20743	9.7
401.21533	23.6
443.22833	93.5
444.23151	9.8
487.25323	4.8
511.29770	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56451	6.6
59.01389	100.0
64.69193	7.2
67.57188	7.5
69.55198	55.4
70.58498	6.8
71.01382	22.9
73.02958	9.0
75.00873	7.7
101.02454	16.8
113.02467	11.2
119.03461	8.2
137.01045	7.8
137.02625	6.5
138.02045	7.2
143.04601	8.4
143.70451	7.8
145.03004	8.7
153.28018	8.4
215.73512	6.7
299.28342	7.3
401.21655	10.4
443.22900	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24378	7.3
53.44939	8.4
54.75505	8.2
55.04775	8.6
59.01382	76.0
69.70174	41.5
71.01383	28.0
73.02958	10.1
74.34666	8.4
75.92254	8.5
79.69333	9.1
85.02953	15.3
98.19919	18.6
101.02453	26.3
113.02468	7.5
122.23629	8.4
192.45122	8.7
401.21762	20.9
443.22879	100.0
444.22806	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.2
57.03463	0.2
58.00603	0.2
59.01379	6.1
69.96709	0.2
71.01386	4.7
72.99308	0.3
73.02958	0.8
75.00861	0.8
76.09897	0.2
80.29314	0.2
83.01390	0.6
83.05067	0.2
85.02964	0.8
87.00876	0.7
89.02451	3.5
91.04034	0.2
97.02972	0.3
98.19816	0.3
99.00864	0.4
101.02451	5.1
113.02443	2.0
119.03499	1.0
119.04936	0.2
125.02542	0.2
129.97421	0.2
133.05110	0.4
133.38892	0.2
143.03479	0.4
145.02945	1.0
161.04579	1.5
179.05630	0.4
233.19084	0.9
235.08260	0.7
251.20168	100.0
252.20505	9.9
253.09288	14.0
254.09607	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51286	0.1
55.01873	0.3
56.38420	0.1
58.00590	0.2
59.01382	5.7
60.10851	0.1
61.98840	0.1
69.55833	0.8
71.01385	4.0
71.33424	0.1
72.99315	0.2
73.02936	0.9
75.00872	0.5
79.12836	0.1
81.03433	0.2
82.17914	0.1
83.01377	0.5
83.05016	0.2
85.02967	0.9
87.00880	0.4
89.02449	3.1
91.04009	0.1
95.01385	0.4
97.02957	0.1
99.00857	0.3
101.02451	4.0
102.02764	0.2
113.02457	1.9
115.04060	0.1
119.03497	0.9
125.02441	0.2
131.03540	0.2
133.05048	0.2
142.44412	0.1
143.03490	0.4
145.02954	0.4
157.05070	0.1
161.04550	1.6
179.05614	0.4
185.31358	0.1
190.48972	0.1
233.19113	1.0
235.08250	1.1
240.86572	0.1
249.18716	0.1
251.20160	100.0
252.20503	8.6
253.09282	13.2
254.09595	0.7
293.38858	0.1
369.13797	0.1
474.34860	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	487.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.8
55.41371	0.5
58.05127	0.5
59.01382	22.6
69.03468	1.6
69.20697	0.5
70.08691	2.6
71.01384	10.5
72.99291	1.6
73.02953	18.9
75.00878	4.8
80.83930	0.6
83.01400	3.0
85.02959	8.0
86.00089	2.7
87.00877	9.8
87.04513	4.1
88.01214	0.5
89.02465	2.5
93.03463	38.0
94.03812	1.2
97.02966	0.9
98.20639	0.7
99.00900	0.6
99.04508	0.7
101.02451	10.2
101.16219	0.5
103.04012	1.8
113.02446	3.0
115.04024	4.7
117.03432	0.9
119.03528	0.8
119.05022	1.7
121.02981	2.0
123.04563	0.9
125.02455	1.3
127.04024	0.7
131.03514	6.2
136.01689	2.5
137.02452	100.0
138.02785	3.4
143.03503	6.5
145.02956	10.1
145.05028	1.7
149.02405	1.3
151.04002	4.4
161.02419	0.6
163.04010	1.9
163.06099	3.9
177.05605	1.1
179.03526	8.8
205.07140	6.9
221.04506	2.9
221.08099	0.6
223.06021	0.9
247.08098	0.7
265.07031	3.7
280.03482	0.6
281.06696	3.7
283.08167	3.6
325.09293	71.2
326.09622	5.1
435.64288	0.6
487.08450	0.7
487.14554	21.0
488.14832	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.7
60.99310	14.3
61.98833	3.0
71.01398	2.5
71.62025	2.5
75.00880	13.8
77.47405	1.7
88.98814	100.0
145.02945	6.0
195.17545	1.9
237.18544	3.0
239.11942	2.0
261.18646	2.3
261.23209	1.7
279.02988	4.4
279.19687	2.3
397.22440	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	487.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19633	1.2
50.75890	1.2
55.06775	1.3
59.01377	4.9
60.99311	16.1
61.98824	1.8
66.29448	1.1
69.40855	10.3
75.00877	12.7
78.84699	1.3
88.98813	100.0
119.05008	1.5
145.02960	5.4
162.92091	1.2
179.68454	1.2
195.17479	1.5
213.96036	1.2
237.18631	3.8
261.05713	1.3
261.18518	1.5
275.22079	1.4
279.03058	4.4
279.19736	2.5
299.74542	1.4
397.22275	13.8
445.27783	1.2
445.47333	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01094	1.7
59.01384	34.5
63.85537	0.8
71.01390	11.3
71.62029	1.1
72.99314	1.7
73.02946	4.6
75.00879	100.0
76.91055	1.0
78.95906	4.7
79.95752	2.5
80.96509	6.8
85.02953	3.2
87.00931	1.5
89.02448	6.6
93.03475	7.8
94.98078	1.5
95.01418	1.4
96.96019	41.6
96.96942	4.4
99.00883	3.8
101.02456	8.4
109.02966	5.8
113.02455	4.5
114.93450	1.3
115.92119	1.3
117.03491	5.4
119.03548	1.9
119.05042	7.9
121.02926	2.6
125.02446	1.7
129.03526	0.9
131.05052	2.0
133.02965	1.6
133.06607	1.6
135.04562	3.3
137.02455	7.1
138.05647	1.6
143.03487	1.3
143.05028	2.3
145.02965	49.9
145.06577	1.0
146.03310	3.0
147.04526	2.1
149.02380	1.2
151.03928	1.3
153.01990	6.0
159.04497	1.4
161.02437	3.2
161.04564	3.0
161.05965	1.3
162.02672	1.1
163.04056	5.4
164.98601	2.5
173.01048	1.0
173.02493	2.5
174.03189	1.0
175.04013	3.3
177.05522	3.4
185.02454	4.6
187.04066	1.1
189.05600	1.5
196.59618	0.9
199.03987	1.1
201.05426	1.1
203.03517	2.6
210.06879	1.1
211.07674	16.2
212.07983	1.3
217.05125	1.3
221.04550	9.7
223.07661	2.3
225.00783	2.3
235.07600	1.2
237.09268	2.0
250.06165	1.4
252.04228	1.4
253.05186	1.5
255.06580	1.6
263.07022	1.4
265.05243	1.3
265.08746	4.5
267.06516	1.2
277.05133	1.1
279.02951	5.0
279.06934	1.2
279.10226	1.4
280.03729	2.2
281.04501	1.5
291.06635	6.0
293.04517	1.6
297.06305	1.5
305.04825	1.1
309.07730	5.5
323.09259	3.6
325.09119	1.0
327.08780	4.0
328.09207	1.1
367.08105	2.0
368.08835	1.2
385.09448	2.0
387.55383	1.0
389.18109	7.1
443.11334	2.5
451.09082	1.6
469.09299	2.0
487.08768	1.4
487.15405	10.5
487.21176	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	487.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65467	0.6
59.01376	1.7
69.89553	2.9
71.01384	1.0
75.00879	39.1
76.01189	0.5
83.26187	0.5
93.03458	2.2
99.00888	0.7
99.92587	1.0
101.02463	0.7
115.92072	0.6
116.92859	1.8
117.03477	13.3
119.05032	6.6
121.02981	1.3
123.04530	0.9
129.08426	0.6
131.05011	1.7
133.06564	1.3
135.04565	0.7
138.05595	1.1
145.02960	100.0
146.03307	5.1
147.04526	0.9
159.04546	0.8
163.04091	3.3
175.04056	1.1
177.05592	1.9
179.07138	0.8
180.53714	0.6
203.03500	5.9
221.04541	18.8
222.04880	1.1
222.06778	0.7
223.07643	4.4
237.09151	1.2
247.07565	0.9
265.08752	2.1
271.24133	0.6
279.10406	0.6
280.03644	0.6
291.06686	2.1
307.08618	0.7
309.07767	5.0
310.08081	1.0
323.09320	2.4
327.08701	1.0
341.10083	0.8
374.78195	0.6
385.09271	0.9
425.27246	0.6
487.09354	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10662	0.2
57.71349	0.2
59.01377	0.6
68.99821	0.3
71.01380	0.6
71.60677	0.3
72.99312	1.2
73.02940	0.5
75.00879	100.0
76.01227	0.8
83.01402	0.3
87.00842	0.3
93.03466	5.4
97.02989	0.3
99.00894	0.6
109.02999	0.3
111.00890	0.4
115.00380	0.5
117.03477	7.1
117.49815	0.2
118.03786	0.3
119.05035	8.5
120.05376	0.6
121.02983	0.8
123.04508	0.9
129.01927	0.5
129.03474	0.6
130.04233	0.9
131.05025	1.6
133.01443	1.3
133.02971	1.4
133.03847	0.2
133.06602	1.2
135.04536	0.9
137.02428	0.8
143.05063	1.7
145.02962	53.2
145.06607	0.7
146.03297	2.7
147.04521	3.4
148.04897	0.2
149.06136	0.3
157.01413	0.8
157.06578	0.4
158.03740	0.6
159.04480	1.5
161.02431	1.2
161.05998	0.3
163.04027	4.2
165.05554	0.5
171.04506	1.0
172.05247	0.4
173.01006	0.4
173.06087	1.3
175.02496	0.5
175.04022	7.2
176.04369	0.6
177.05579	4.9
179.03487	0.6
185.06088	0.7
187.04030	0.5
189.05615	0.8
191.07179	0.4
199.03928	0.4
201.05478	0.4
203.03516	3.8
203.06985	0.5
205.04939	0.3
209.06033	0.3
210.06845	0.8
211.07655	12.7
212.08076	1.1
215.03558	0.5
217.05087	1.2
221.04550	10.4
222.04950	0.5
222.06897	0.7
223.07660	4.0
224.08084	0.5
225.09195	0.5
229.05060	0.7
231.01523	0.3
234.06807	0.3
235.07793	1.2
236.08257	0.3
237.09215	2.2
239.03233	0.2
239.10735	0.3
247.07620	0.8
249.05577	0.3
251.10661	0.2
261.09320	0.5
263.07162	1.5
265.08716	4.7
266.09113	0.5
277.08801	0.3
279.10352	2.5
281.08154	0.7
283.09747	0.5
291.06628	4.9
292.07111	0.5
295.09622	0.3
297.11392	0.6
305.08209	0.4
309.04248	0.4
309.07712	5.4
310.08057	0.3
323.09283	6.0
324.09708	0.8
325.09311	0.6
327.08749	4.3
328.08990	0.6
341.10300	1.1
349.03409	0.4
367.08096	1.4
385.09332	2.4
417.19601	0.2
443.09842	0.4
487.15860	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93767	0.7
55.29315	0.6
64.08106	0.8
68.69919	0.7
71.41509	1.5
75.60559	0.6
88.04047	54.2
89.04384	0.8
96.95979	0.7
147.08134	2.9
149.09743	1.8
163.11276	2.5
187.11230	2.2
279.13940	1.2
280.14587	0.9
285.17697	0.7
293.19125	0.8
309.22113	1.9
337.21732	100.0
338.22083	12.1
486.26852	13.3
487.27383	2.2
502.06747	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57753	0.2
68.99813	0.7
70.37954	0.8
71.01375	0.3
72.99306	0.8
75.00877	35.0
89.49448	0.3
93.03461	3.3
99.00884	0.8
99.19110	0.3
107.05079	0.4
114.18561	0.3
117.03472	13.7
118.03763	0.5
119.05035	7.8
121.02966	0.8
123.04509	1.7
129.03479	0.4
130.04199	0.7
131.05054	2.4
133.02951	2.5
133.06624	1.0
135.04514	0.8
145.02957	100.0
146.03299	4.0
147.04514	2.5
148.04939	0.3
149.06047	0.4
158.03700	0.6
159.04510	1.1
161.02386	0.4
163.04033	4.1
171.04547	0.6
173.06020	0.7
175.04019	3.6
177.05603	3.6
185.06044	0.5
189.05612	0.5
203.03500	12.5
204.03799	0.5
221.04541	11.2
222.04927	0.6
222.06860	0.6
223.07629	6.0
224.07968	0.4
237.09201	1.0
247.07639	1.2
265.08667	1.5
279.10361	0.7
281.08136	0.5
291.06689	1.1
305.08133	0.3
309.07654	3.7
310.07870	0.5
323.09219	2.6
327.08795	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75705	0.1
55.01877	0.4
56.79439	0.1
57.03445	0.2
58.00600	0.3
59.01382	8.3
65.99446	0.1
69.46358	0.3
69.46782	0.5
71.01386	5.3
72.99303	0.4
73.02950	1.0
75.00851	0.1
79.41570	0.1
83.01404	0.6
83.05032	0.4
83.39390	0.1
85.02953	1.4
87.00890	0.7
89.02452	4.2
91.04017	0.2
95.01372	0.4
97.02942	0.2
97.06526	0.1
99.00883	0.3
101.02448	5.0
103.04002	0.2
113.02460	2.5
115.04009	0.1
116.07238	0.1
119.03501	1.2
125.02434	0.3
131.03523	0.2
133.05066	0.4
135.11757	0.1
143.03462	0.5
157.05049	0.2
161.04573	1.6
177.16454	0.2
179.05634	0.8
187.67845	0.1
205.19614	0.8
231.17506	0.7
235.08264	1.2
247.16982	0.3
249.18600	100.0
250.18944	8.2
250.21671	0.1
253.09290	17.4
254.09616	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76163	1.0
55.01103	0.8
59.01385	21.4
61.98821	1.3
71.01379	10.3
72.99308	9.4
73.02952	2.9
75.00880	26.3
78.95907	1.1
82.02994	3.3
83.01382	2.0
85.02963	3.0
87.00883	2.0
89.02450	6.2
93.03468	1.8
95.01411	1.0
97.02982	0.9
99.00905	1.4
101.02460	7.5
109.02959	2.4
113.02451	3.0
115.92104	0.8
119.03522	2.3
119.05051	2.8
122.06131	1.7
123.08124	1.4
132.04567	3.4
134.06107	2.5
135.04533	6.9
136.03993	1.1
136.04941	1.5
136.07675	1.7
137.02438	1.8
138.05646	1.2
143.03528	1.3
145.02962	12.5
149.04666	1.0
159.04530	0.9
160.04048	11.8
161.02530	5.5
161.04811	19.5
162.02789	2.7
162.05620	9.8
163.03973	2.4
163.11266	2.8
164.04820	29.3
173.02434	2.8
174.03088	0.9
175.04002	2.5
176.03482	1.1
177.05585	1.5
179.05841	1.6
179.07146	35.5
184.06226	2.0
185.02455	2.4
189.06757	1.3
189.12878	3.0
193.02036	1.4
193.03807	27.6
193.05499	1.7
194.04199	1.6
207.13905	3.5
210.06853	1.7
211.07741	4.2
219.06635	2.2
220.06978	1.5
221.04530	3.8
229.09842	1.6
229.18132	0.9
237.03778	1.1
237.09291	1.5
240.10382	3.3
241.10013	1.2
243.07771	1.0
252.04251	1.9
253.05003	1.6
255.06580	1.3
255.11305	2.0
257.09363	4.3
257.12982	0.8
258.10117	1.1
265.14316	1.0
267.11292	1.1
271.10864	24.9
272.11380	2.9
279.03076	6.8
279.05865	1.1
280.03796	1.5
281.04419	1.0
283.10904	26.0
284.11224	2.7
287.05640	1.4
287.10330	1.3
291.06601	1.5
293.04684	1.8
302.55606	1.0
304.10764	1.1
307.06024	1.5
327.09967	6.2
345.10928	100.0
346.11221	10.1
418.86545	0.9
429.09647	2.7
468.17651	3.9
469.09512	1.5
486.18909	20.5
487.10251	2.2
487.19025	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	485.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74825	1.3
54.06763	1.1
55.01915	1.1
59.01385	100.0
59.11462	1.3
60.01692	1.5
61.98820	3.7
69.03466	1.4
71.01387	24.2
72.99326	1.7
73.02951	9.6
75.00881	1.4
83.01382	3.4
85.02952	5.4
87.00916	1.6
89.02450	12.7
101.02440	18.9
111.00916	1.8
113.02459	9.6
118.69953	1.6
119.03493	5.2
143.03488	2.1
161.04520	5.9
179.05606	4.3
380.08212	1.6
399.23877	4.2
485.33365	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	485.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97561	0.1
55.01876	0.3
56.88948	0.1
57.03449	0.2
58.00597	0.3
59.01382	8.4
60.01709	0.1
61.92117	0.1
65.49861	0.1
69.03475	0.1
70.39834	0.3
71.01385	5.4
72.99307	0.4
73.02950	1.2
75.00888	0.1
81.03436	0.1
83.01372	0.7
83.05034	0.5
85.02954	1.4
87.00894	0.8
89.02447	4.5
91.04030	0.2
95.01382	0.6
97.02953	0.2
97.06590	0.2
98.20274	0.2
99.00886	0.3
101.02450	4.6
102.02753	0.1
102.71819	0.1
103.04018	0.2
103.06620	0.1
111.00870	0.1
113.02455	2.2
114.02721	0.1
115.03979	0.1
119.03510	1.2
125.02442	0.2
131.03479	0.2
133.05084	0.3
134.77032	0.1
143.03502	0.4
145.05078	0.1
149.04529	0.2
157.05084	0.2
160.20940	0.1
161.04553	1.8
177.16489	0.3
179.05620	0.7
205.19586	0.9
206.19930	0.1
231.17558	0.8
235.08223	1.2
247.16975	0.3
249.18604	100.0
250.18944	8.2
253.09293	16.6
254.09668	0.8
298.03537	0.1
369.33682	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	485.203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	3.1
59.01383	100.0
69.03466	2.2
71.01378	21.4
72.99335	3.0
73.02943	18.7
75.00878	7.4
83.01377	5.9
85.02962	10.2
89.02459	9.9
91.75965	2.5
97.06609	3.9
101.02447	20.3
109.02977	3.0
113.02473	8.4
119.03510	7.0
148.05321	3.4
161.04593	3.9
175.14943	3.2
255.02962	4.4
263.12845	2.8
284.03140	3.7
363.58075	4.0
381.19003	3.1
399.20267	5.8
441.21304	35.2
442.21259	2.5
467.33459	3.7
484.79434	2.5
485.24176	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	485.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99551	3.1
59.01382	100.0
61.20488	2.8
61.98846	8.9
67.60197	2.4
69.34233	25.7
71.01382	22.9
72.64680	3.2
72.99361	3.9
73.02953	8.7
73.68906	2.8
74.65223	3.0
75.00886	9.9
82.00692	2.8
83.01402	3.4
84.29202	2.7
85.02958	8.3
87.00862	3.3
89.02453	7.6
93.91086	2.6
95.01430	3.4
95.05022	3.4
97.06596	7.0
101.02464	9.5
109.02921	3.7
113.02484	8.7
117.03432	2.9
119.03487	7.5
125.02509	3.0
139.04015	10.0
145.03004	5.0
148.05304	3.5
184.25603	2.6
227.03531	3.9
255.02876	5.2
263.16788	3.3
284.03247	6.0
285.04053	3.2
345.22778	7.0
363.58264	3.4
381.19073	4.2
399.20239	6.9
441.21237	27.0
442.22101	4.0
467.26630	7.4
467.34045	4.3
485.27795	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	485.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.3
57.03450	1.3
59.01383	62.1
71.00994	1.1
71.01385	18.8
71.61755	1.3
71.62096	0.8
72.99329	0.7
73.02953	5.6
75.00871	4.3
83.01400	3.9
83.74230	0.7
85.02956	7.4
85.93316	0.7
87.00885	1.2
87.11141	0.7
89.02448	5.9
92.52736	0.7
93.03462	0.9
95.05099	0.8
95.57483	0.8
99.00895	1.8
101.02461	15.0
113.02449	10.9
119.03610	2.6
119.05036	100.0
120.05345	3.8
121.02940	2.3
131.03522	1.3
133.02962	1.3
135.04530	14.3
138.39015	0.7
143.03548	1.8
145.03015	1.4
159.02966	1.6
159.74387	0.8
161.02463	8.0
161.04547	6.9
175.85603	0.8
177.05579	1.9
210.39378	0.8
219.06631	8.7
221.06673	1.1
237.04097	1.1
237.07657	1.1
251.11391	12.9
281.10315	1.6
293.12537	7.2
386.30289	0.9
429.09598	0.8
443.15479	8.9
444.15863	1.1
485.16595	4.3
485.23422	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.13
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15486	1.4
59.01386	100.0
60.01711	2.1
71.01390	14.0
73.02941	5.8
75.00885	7.0
79.91755	1.7
83.01408	3.7
85.02955	3.5
86.93349	1.6
89.02447	6.4
101.02461	9.4
113.02515	7.6
113.03149	1.6
119.03505	3.0
119.05064	7.6
121.02966	3.8
133.03006	2.4
135.04561	25.4
143.03563	1.9
143.74672	1.7
145.02933	3.6
161.01440	1.8
161.02490	16.4
161.04568	5.5
177.05524	2.9
184.47266	1.6
199.95499	1.5
219.06656	15.3
229.65642	2.3
237.03957	3.3
251.11382	19.2
258.49899	1.9
263.12964	1.9
283.82404	1.7
293.12448	12.2
339.76010	1.8
399.13184	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46802	0.3
68.97933	0.3
70.76827	0.5
70.77167	0.5
78.95909	7.6
94.95235	0.3
96.96952	0.8
104.44629	0.3
110.94003	0.3
152.99600	12.6
171.00670	1.3
216.27463	0.3
227.03278	2.8
232.69499	0.3
245.04227	1.6
255.23296	100.0
256.23651	8.8
256.26318	0.6
483.27280	24.8
484.27628	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	483.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48704	0.3
59.01384	100.0
60.01730	1.0
61.98832	0.3
70.63922	0.8
71.01395	0.8
73.02950	0.4
75.00873	0.5
76.37045	0.3
79.82851	0.3
191.80095	0.3
218.32401	0.3
287.37823	0.3
316.77670	0.3
385.45734	0.3
483.22754	0.9
483.32144	0.3
497.48172	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09269	0.4
55.35379	0.3
69.86270	2.0
72.85048	0.3
78.95905	6.4
96.97055	0.5
152.99600	13.0
171.00601	1.0
204.01987	0.4
227.03300	2.9
245.04338	1.4
255.23299	100.0
256.23660	7.8
403.57538	0.4
483.27298	24.2
484.27530	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2728
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
57.40757	0.4
70.84574	0.8
70.84898	0.4
71.76898	0.5
73.62302	0.4
74.07322	0.4
78.95905	20.1
78.96370	1.0
82.36918	0.4
93.75564	0.4
96.96988	1.1
147.05704	0.5
150.97978	0.5
152.99591	32.7
163.14348	0.4
171.00616	1.5
227.03235	5.0
239.63382	0.5
245.04317	1.0
255.23299	100.0
256.23624	8.6
305.17670	0.5
327.90546	0.4
344.13150	0.5
391.22504	0.8
483.27283	54.5
484.27625	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96068	0.7
55.01881	0.9
57.03441	1.8
58.00585	1.2
59.01383	30.3
61.98840	1.0
62.13640	0.7
65.03968	1.0
69.03459	24.5
71.01384	12.3
71.05024	1.1
72.99320	1.1
73.02952	4.9
75.00874	4.5
80.91685	2.5
81.03474	1.7
83.01389	2.2
83.05045	3.5
85.02955	3.3
87.00880	2.3
89.02439	10.5
91.05540	1.3
93.07095	2.6
95.01378	1.2
95.05034	13.8
97.06602	1.8
99.00895	0.8
101.02445	12.2
106.04266	1.7
107.05038	0.8
107.08688	5.0
109.06605	1.8
111.04522	0.8
113.02451	7.1
119.03484	2.9
119.05029	2.4
121.02981	0.9
121.06597	3.9
121.10247	2.8
121.29779	0.7
123.08167	1.5
125.09746	2.3
133.10240	1.6
134.07428	1.2
135.08182	4.0
139.04022	2.1
141.01741	1.3
145.06577	1.3
147.11794	6.4
149.09741	2.1
151.07671	1.0
153.09164	1.3
157.10240	0.9
159.11859	1.6
161.04578	5.0
167.96800	0.7
171.10277	0.8
177.09244	1.9
179.05688	1.4
185.13365	5.9
191.10832	0.8
201.11319	2.5
201.12956	1.0
203.10843	5.0
203.14432	19.4
204.14798	1.2
209.11815	1.7
211.11279	1.4
219.13872	4.6
229.12347	21.6
230.12625	1.7
247.13390	100.0
248.13731	8.9
253.09294	45.3
254.09636	2.0
321.92563	0.7
327.21570	0.8
329.23438	1.3
343.04477	0.7
343.20810	0.8
397.17413	1.3
447.31165	1.1
465.25897	1.4
465.32181	5.8
483.21994	1.8
483.27420	2.0
483.33749	15.3
484.33859	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	483.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.7
57.03442	3.6
58.00589	1.3
59.01384	84.2
60.01706	1.9
61.98832	62.6
71.01385	42.4
71.16871	2.4
71.17219	2.5
72.08158	1.6
72.99301	2.9
73.02948	22.0
73.92758	1.3
75.00880	13.5
78.95906	2.9
79.69087	1.3
83.01386	13.2
83.05090	1.3
85.02966	21.0
87.00868	3.6
89.02452	8.1
95.01377	2.6
97.06567	1.4
99.00869	8.9
101.02452	49.1
102.02781	2.0
109.06583	2.4
111.04552	1.4
113.02446	15.9
119.03490	2.4
125.02456	4.0
125.20171	1.3
127.86516	1.5
135.08171	2.4
139.03943	4.2
145.03011	3.4
153.09221	4.1
159.02979	2.2
161.02464	2.3
161.04549	11.1
168.88277	1.5
171.00728	2.8
201.11345	3.5
217.10797	9.1
277.16571	78.0
278.16885	5.6
285.04102	2.0
291.18063	3.9
342.87259	1.7
423.22339	100.0
424.22739	14.8
483.25632	1.9
483.30426	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	483.2006
Annotation	Verrucarin J
Peak:m/z	Relative Intensity
59.01388	47.0
61.98828	13.4
64.29990	7.0
71.01387	36.4
72.99282	7.7
73.02958	17.0
75.00866	8.0
76.46244	7.0
85.02977	14.4
87.00875	8.6
87.28043	8.7
101.02444	23.9
113.02486	14.0
135.08154	8.0
161.04578	10.4
196.08247	7.8
198.99979	7.7
201.11432	13.9
279.12402	19.6
291.18143	19.6
294.56445	7.9
423.22406	18.1
437.29639	7.9
447.22318	100.0
448.22546	10.2
465.32141	10.8
483.20148	61.8
483.33521	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	483.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97017	0.7
57.03455	4.9
59.01385	32.9
61.98840	8.5
63.77008	0.8
63.99234	0.8
69.03459	2.0
71.01383	17.8
71.05035	0.9
71.61358	1.1
72.99324	1.5
73.02952	16.3
75.00873	7.1
78.95912	1.2
83.01409	5.5
83.01846	1.2
83.05032	3.5
85.02947	5.3
85.06597	4.0
87.00873	1.7
89.02457	2.6
97.02960	2.6
97.06593	2.0
99.00868	0.8
99.08166	25.8
100.08497	0.9
101.02453	12.3
101.06123	1.0
107.08675	2.0
109.02954	2.0
109.06599	2.2
111.04554	1.9
111.08183	10.5
113.02460	5.0
113.09715	1.9
119.05080	2.0
123.04500	1.0
125.02441	1.7
131.03525	1.4
131.05000	1.8
133.06615	2.9
135.04535	1.5
135.08205	3.8
137.06081	1.0
137.09732	2.9
139.04079	1.8
145.02951	1.0
145.10294	1.1
149.02446	1.0
149.06097	0.8
149.09674	1.2
151.07599	1.0
152.99644	1.1
155.03461	1.1
158.06238	0.8
161.02435	1.8
161.04555	3.0
163.11296	2.2
165.05508	0.8
173.13353	2.0
189.09218	2.3
189.12868	7.2
191.14429	21.1
192.14749	1.5
201.11255	1.5
205.35548	0.8
207.10202	1.9
215.14432	1.2
217.12422	5.5
233.11845	1.8
233.15483	1.7
235.13416	57.3
236.13782	4.3
237.04065	0.9
249.15067	3.8
261.11337	24.3
262.11667	1.8
277.11206	0.8
277.14297	4.6
277.60794	0.8
279.12393	100.0
280.12762	9.1
291.18143	3.9
293.13995	12.4
294.14282	1.3
313.58798	0.7
321.13422	16.3
322.13721	1.1
423.16678	1.0
423.22415	2.8
439.19724	1.8
439.26675	1.5
447.22424	1.2
465.28345	2.8
483.18353	7.6
483.28705	7.0
484.19315	1.3
486.08347	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1165
Annotation	SCHEMBL2576454
Peak:m/z	Relative Intensity
53.13624	0.9
59.01380	6.3
68.99825	1.4
71.01382	4.4
71.60632	1.5
72.99312	5.1
75.00886	13.2
83.01395	3.3
85.01058	1.4
87.00885	1.4
88.98811	1.1
89.02443	1.4
99.00891	5.3
100.98844	1.6
101.02458	2.1
103.00379	10.1
111.00906	1.8
112.98828	18.9
115.00374	1.6
117.01930	1.3
124.98839	2.1
135.04581	1.6
142.99884	1.6
143.01611	1.2
145.01434	13.8
154.62695	1.1
157.01443	1.8
168.99939	1.0
171.01051	4.0
171.72545	1.0
187.96213	1.1
198.99373	2.1
208.97891	4.2
217.03636	1.3
226.99019	2.6
231.03204	1.9
250.98965	3.0
253.00552	1.2
260.97427	2.8
263.05756	16.4
290.98441	2.4
318.97925	3.0
335.04333	5.8
335.07697	1.3
391.06888	6.2
423.08298	1.1
451.08713	5.6
483.11646	100.0
484.12057	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	483.1162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39268	0.8
57.23207	0.8
59.01384	6.5
61.98819	1.3
68.99798	1.6
70.82148	1.8
71.01391	4.7
72.99312	5.7
75.00876	11.0
75.02570	1.7
83.01391	3.2
85.01011	1.9
87.00867	1.4
88.98804	1.2
99.00896	5.2
101.02450	1.3
103.00381	6.2
109.02945	1.9
111.00887	3.1
112.98821	26.6
113.99159	1.2
115.00378	2.6
115.02085	3.7
115.03852	0.9
117.01946	3.4
119.05067	4.2
124.98829	2.0
127.00358	1.6
129.01976	1.7
133.01433	0.9
133.06685	0.9
135.04520	1.8
142.99846	1.3
143.01614	2.1
145.01447	34.1
145.03041	3.7
146.01793	1.3
154.99776	1.4
157.01418	1.3
161.02383	1.5
171.01100	3.9
175.03940	0.9
182.07022	0.9
191.03578	1.2
192.47105	0.9
203.03673	3.7
207.03004	1.2
211.41180	1.1
213.02126	1.2
217.01701	1.2
217.05156	1.2
231.03217	4.6
231.96712	0.9
233.08182	1.2
236.94669	0.9
243.03210	1.7
245.04678	1.8
263.05847	5.1
284.56012	1.0
291.01965	0.9
305.06903	1.1
333.05746	1.1
335.04291	2.1
335.07907	2.8
359.04510	2.1
391.06836	5.6
419.06543	1.7
451.09106	9.6
452.09528	1.4
483.11670	100.0
484.11972	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	483.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.2
61.98833	1.4
63.67952	0.4
69.52814	3.2
71.01374	1.6
72.99313	0.7
73.02967	0.6
73.75243	0.4
75.00876	3.3
82.74262	0.4
91.05540	3.2
96.96007	0.7
97.02976	0.4
98.20640	0.8
101.02424	0.9
107.05013	0.7
109.02985	0.7
113.02440	2.4
115.05514	0.7
115.70165	0.4
116.92881	1.2
117.03540	0.5
121.02947	0.7
133.02957	1.4
135.04535	100.0
136.04887	4.5
145.03015	0.7
159.04512	1.3
161.02448	1.1
161.04567	0.5
164.97871	0.4
173.06093	0.7
185.02473	1.4
203.03430	0.7
207.02991	47.3
208.03378	2.4
220.15524	0.4
222.35045	0.4
259.06149	2.3
275.07639	0.6
319.06088	4.0
354.83063	0.4
421.11414	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1163
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54867	1.0
55.01873	1.4
59.01383	7.8
68.99830	2.1
71.01386	5.7
72.99318	6.4
72.99658	1.1
73.02980	1.2
75.00886	12.0
75.02599	1.4
80.74320	0.9
83.01405	4.5
84.99322	1.4
85.01034	2.0
87.00898	1.7
89.02453	1.9
93.03477	1.2
96.99317	0.9
99.00876	6.3
100.98795	1.3
101.02459	2.5
102.98861	1.8
103.00378	5.0
109.02924	1.2
111.00901	3.5
112.98816	28.9
113.99107	1.3
114.98869	3.6
115.00386	2.2
115.02068	2.9
117.01971	2.4
119.05054	1.6
124.98791	1.2
127.00404	1.1
129.01929	2.3
130.98393	2.6
133.06622	2.3
135.04500	1.4
142.99878	2.1
143.01567	1.7
145.01439	45.9
145.03102	2.6
146.01790	1.8
157.00000	1.6
157.01430	1.9
171.01056	3.8
173.00986	1.3
175.02422	1.1
177.05557	1.2
180.65135	1.1
187.02475	2.1
195.01411	1.0
195.06563	1.1
200.93352	1.4
200.98923	3.1
203.03667	1.8
213.02141	1.2
215.01866	1.1
217.01978	2.3
217.05267	2.2
223.00012	1.1
231.03197	1.8
243.03505	2.5
244.18642	1.1
245.04790	2.3
263.05841	10.7
277.07397	1.2
335.04257	4.6
335.08090	3.9
341.10837	1.2
359.04227	1.4
363.07608	1.2
391.06958	8.0
451.09076	15.9
455.03903	1.2
483.11682	100.0
484.12061	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86216	2.6
59.01383	100.0
61.98827	3.9
65.13468	2.6
69.35617	19.3
71.01382	19.6
73.02953	21.9
75.00861	3.6
75.52457	2.1
75.93708	2.1
83.01399	6.3
85.02961	5.8
89.02447	7.3
92.41458	2.5
98.19862	5.1
99.00890	2.5
99.94697	2.4
101.02460	19.6
113.02484	11.2
143.56540	2.4
161.04533	3.0
208.51390	2.7
255.02258	2.4
258.91446	2.2
437.25424	17.7
481.32190	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	482.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	24.8
61.98834	100.0
69.37864	6.3
70.47062	0.8
71.01382	9.1
73.02953	11.8
75.00883	1.6
79.18658	0.9
83.01397	2.3
85.02940	1.2
89.02442	1.9
98.45901	0.8
101.02456	12.3
113.02475	4.2
119.03518	1.6
122.03714	1.0
131.03506	1.0
135.08147	1.9
149.04570	1.5
150.96671	0.8
161.04572	3.2
169.26436	0.9
185.62529	0.9
201.11345	1.6
217.10791	1.1
252.10205	0.9
329.19794	1.3
403.28873	1.1
447.27304	1.7
458.10165	1.0
465.28555	2.6
483.29901	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	482.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20962	0.6
59.01387	17.7
61.98835	100.0
68.39803	0.5
71.01389	6.4
71.37907	1.1
73.02954	10.1
73.03342	0.8
76.29478	0.5
83.01406	2.2
85.02969	0.7
89.02464	2.2
89.08609	0.5
93.40577	0.7
101.02454	8.9
113.02462	3.1
130.54018	0.6
131.03584	1.0
135.08191	1.3
149.04617	1.5
161.04613	2.0
197.13828	0.7
205.43684	0.5
278.11279	0.7
283.19162	0.6
329.23465	1.5
337.03885	0.6
465.32440	1.0
482.32443	1.2
483.33972	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0573
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.1
61.17098	1.4
61.43316	1.3
69.35945	13.8
71.01390	3.8
72.99315	13.7
75.00880	78.1
76.01227	1.4
96.96021	1.8
98.20655	2.8
100.45277	1.3
105.03459	2.1
109.02941	1.8
117.03485	3.6
118.99871	26.9
119.05014	2.6
121.02948	2.1
124.68524	1.6
133.02968	34.7
135.04539	7.8
141.47264	1.4
145.02968	12.2
146.03755	3.4
147.04509	4.1
151.00398	1.7
157.02969	2.7
158.03770	2.6
159.04530	20.7
161.02434	3.0
161.06137	4.2
163.04030	4.4
173.02440	3.5
174.03203	1.6
175.04042	4.0
179.03592	2.3
183.23416	1.3
185.02452	28.6
186.03043	2.9
245.06105	2.5
248.04758	2.1
263.07059	3.5
267.06522	2.0
272.04788	2.6
272.72562	1.4
273.05624	5.4
274.06180	2.0
275.07291	1.6
276.04440	1.4
277.05005	1.7
289.05081	2.3
290.05936	2.3
291.06616	8.7
293.08322	5.6
294.08618	1.7
300.04263	2.4
301.05185	15.9
302.05844	2.2
317.04507	12.0
318.05292	6.1
319.06125	100.0
320.06479	12.7
333.07629	2.1
337.07266	5.7
351.08859	3.6
395.07773	6.0
411.43097	1.8
482.26822	2.0
483.18161	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39862	0.7
56.10255	0.6
59.01383	100.0
60.01713	1.2
61.98838	1.3
71.01403	1.1
71.19309	1.6
73.54810	0.7
74.36851	0.6
75.00891	1.2
75.47462	0.8
78.95906	1.7
96.96034	1.0
101.02464	0.8
107.99181	0.6
113.02480	0.7
447.16852	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.36969	1.1
60.48681	1.1
70.37697	1.2
70.38023	2.2
78.95906	43.6
85.45990	1.2
96.96946	1.6
102.13884	1.0
115.61973	0.9
127.40546	1.0
152.99596	57.8
153.99890	1.8
171.00655	17.0
175.70215	1.0
177.01927	1.0
227.03210	3.1
245.04297	100.0
246.04730	3.7
253.21725	60.7
254.21985	5.6
283.12915	1.1
307.16559	1.0
352.27136	1.1
366.62640	1.3
440.89435	1.2
441.89145	1.1
469.86441	1.0
481.25699	33.2
482.25900	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	481.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94845	2.8
56.44767	2.5
59.01382	100.0
61.98827	7.7
67.96472	3.0
71.01389	20.5
71.61884	4.0
71.62296	3.5
73.02956	29.2
75.00886	4.6
83.01398	8.8
89.02449	5.3
96.96015	30.5
100.04044	13.0
101.02461	23.1
107.47941	2.9
112.04042	5.5
113.02483	7.0
119.03484	3.7
121.89569	2.6
123.00697	2.6
125.02363	3.5
135.20424	3.0
137.64160	3.0
161.04472	3.1
203.11649	2.8
257.07434	2.9
429.82681	3.4
437.25439	9.5
440.26526	10.6
451.07199	2.8
463.30432	4.8
481.32123	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	480.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.2
61.26032	0.3
61.98835	100.0
63.96253	0.4
69.54051	2.5
71.01384	0.9
71.96949	0.3
73.02922	0.5
75.00878	0.6
82.64886	0.4
113.02494	0.3
114.07327	0.3
114.13149	0.4
119.05092	0.4
145.50941	0.3
166.48541	0.3
172.92255	0.3
232.10866	0.4
481.29968	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09557	0.6
50.25097	0.6
50.67801	0.6
54.30904	0.6
55.90826	0.7
61.48784	0.6
61.98836	100.0
62.25929	0.8
70.37917	1.5
89.07403	0.7
99.01341	0.7
100.91554	0.6
114.02611	0.6
116.34240	0.7
117.03417	0.8
145.02998	4.6
160.59862	0.6
165.79521	0.6
172.10817	0.8
417.26740	3.2
493.85159	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	88.0
60.01675	9.0
61.98834	21.4
62.90216	7.3
66.42047	7.9
70.92253	14.7
70.92583	12.9
71.01389	43.9
72.99315	19.0
73.02961	17.2
75.00882	24.6
83.01360	11.9
85.02942	16.7
89.02452	26.5
93.03472	10.1
101.02441	38.2
101.06090	100.0
109.02941	7.1
113.02482	21.7
115.07651	11.2
119.05007	9.5
121.06764	7.8
129.92140	7.9
131.03537	19.5
143.22519	8.0
145.02934	13.7
149.04549	13.7
187.09795	18.4
191.05731	20.3
211.07693	14.3
215.17017	9.1
233.06575	11.6
283.09811	18.0
319.21283	8.9
388.42242	8.1
463.15338	14.6
481.15756	40.9
481.26514	85.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	4.5
55.57243	2.3
57.03442	8.1
59.01384	67.8
61.60599	2.2
61.98835	15.5
66.63415	2.1
71.01388	84.4
71.40728	4.4
72.99315	4.7
73.02952	32.1
75.00888	16.0
78.95911	3.7
83.00975	2.6
83.01385	14.3
85.02958	42.3
87.00919	3.2
89.02444	17.1
89.70490	2.7
95.01414	6.8
97.02888	2.8
99.00900	12.1
101.02442	53.5
109.02933	3.1
113.02467	37.8
119.03472	2.4
119.05050	2.8
125.02445	5.8
136.05283	3.5
138.66083	2.6
143.03499	2.7
145.02939	6.1
149.04590	4.4
149.06136	6.2
159.02960	4.9
161.02454	4.4
161.04555	35.4
162.06798	4.9
168.89156	3.0
174.53009	3.0
183.04475	3.6
191.23111	2.9
216.56635	2.4
227.44505	2.7
247.04221	7.3
257.19244	2.4
276.17209	3.4
277.18170	17.1
289.16574	100.0
290.16940	9.3
302.80084	2.5
319.06314	3.6
342.12042	2.9
385.44238	2.6
421.20862	77.3
422.21118	8.1
435.22174	3.9
481.19504	3.0
481.27750	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	479.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18712	0.7
58.66159	0.6
59.01379	1.7
70.63207	2.4
71.62671	0.8
75.00880	0.8
89.84606	0.8
90.53771	0.8
91.04008	1.2
95.05028	2.0
99.14850	0.8
100.36723	0.7
100.60599	0.8
105.03467	10.9
108.46461	0.8
123.04552	0.9
132.02184	4.0
133.02968	45.4
134.03763	9.7
135.04562	5.1
137.02470	5.0
139.04022	1.4
147.04509	1.7
148.05283	3.3
149.06082	1.2
158.07483	1.1
160.01663	26.0
161.02457	25.4
161.06029	3.6
162.02908	1.4
170.14857	0.8
171.08134	1.5
175.04010	65.6
176.04315	3.1
177.01945	2.8
178.02692	3.3
179.03462	3.1
188.04735	0.8
193.05045	4.9
229.18138	9.8
233.08286	1.1
247.09727	4.1
249.18642	0.9
257.11844	0.9
261.11368	1.4
269.11362	0.8
275.13019	1.2
283.13202	0.9
285.14969	1.2
289.14621	1.4
303.16055	4.1
304.16315	0.9
305.21213	1.8
317.17682	1.7
319.22806	1.3
371.15091	1.5
373.20181	14.8
374.20581	2.0
387.21796	25.2
388.21979	2.1
391.21445	4.3
392.21460	0.9
405.22833	45.4
406.23093	5.2
461.62216	0.8
464.24265	3.6
465.24503	1.0
479.26520	100.0
480.26859	14.6
494.78363	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67181	0.6
55.01870	0.7
57.03460	1.1
59.01384	100.0
60.01730	0.9
61.98840	2.9
71.01389	10.1
71.62125	0.6
73.02961	2.9
75.00877	0.9
78.95914	0.6
83.01402	2.0
85.02961	4.3
89.02446	5.1
95.01388	1.3
99.00900	0.8
101.02450	6.6
109.02996	1.0
113.02450	5.6
119.03545	1.3
121.02962	1.2
122.03794	0.8
123.04523	1.1
135.04538	1.7
136.05307	0.9
137.02505	1.2
137.06082	0.8
139.94835	0.7
143.03485	0.6
161.02464	1.1
161.04576	1.3
171.10298	0.8
177.09151	0.7
179.05696	1.1
201.11409	0.8
211.13419	1.7
219.23564	0.7
247.58510	0.9
260.17422	0.7
305.19757	1.9
319.10883	1.2
325.23987	1.2
419.24454	1.3
437.24835	1.0
461.29303	5.3
462.69547	0.8
479.30505	16.4
480.30746	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	480.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.2
59.69500	0.3
61.98835	100.0
63.90947	0.3
69.54857	2.3
69.55221	0.3
71.01396	0.3
74.53106	0.3
90.89404	0.3
93.62233	0.3
101.46645	0.4
101.87592	0.3
103.54098	0.3
155.44632	0.3
161.04707	0.3
420.25665	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68827	0.2
59.01374	0.7
69.34458	2.1
87.37511	0.2
89.02505	0.2
91.04018	0.3
91.89336	0.2
98.20660	0.4
105.03444	0.2
106.04256	0.3
117.03470	1.5
121.02936	0.6
123.04456	0.2
132.02170	0.9
133.02968	23.9
134.03786	5.7
135.04539	16.1
135.05609	0.3
136.04871	0.7
137.02454	3.3
139.04013	1.0
148.05350	0.4
150.03273	0.5
160.01668	0.3
161.02454	100.0
162.02788	4.3
174.90652	0.2
175.04012	0.4
178.02649	0.7
179.03503	4.8
180.03836	0.3
185.73106	0.3
197.19069	0.7
225.18716	0.3
233.86201	0.2
235.06166	0.8
243.19661	9.2
243.22141	0.5
244.20076	0.7
282.50906	0.2
303.15759	0.2
305.72989	0.3
319.19302	0.5
319.22830	6.4
320.23148	0.7
334.84473	0.2
343.22873	0.6
387.21777	44.7
388.22165	5.5
392.92920	0.3
405.22836	14.8
406.23065	1.8
479.26532	69.6
480.26843	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	479.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18712	0.7
58.66159	0.6
59.01379	1.7
70.63207	2.4
71.62671	0.8
75.00880	0.8
89.84606	0.8
90.53771	0.8
91.04008	1.2
95.05028	2.0
99.14850	0.8
100.36723	0.7
100.60599	0.8
105.03467	10.9
108.46461	0.8
123.04552	0.9
132.02184	4.0
133.02968	45.4
134.03763	9.7
135.04562	5.1
137.02470	5.0
139.04022	1.4
147.04509	1.7
148.05283	3.3
149.06082	1.2
158.07483	1.1
160.01663	26.0
161.02457	25.4
161.06029	3.6
162.02908	1.4
170.14857	0.8
171.08134	1.5
175.04010	65.6
176.04315	3.1
177.01945	2.8
178.02692	3.3
179.03462	3.1
188.04735	0.8
193.05045	4.9
229.18138	9.8
233.08286	1.1
247.09727	4.1
249.18642	0.9
257.11844	0.9
261.11368	1.4
269.11362	0.8
275.13019	1.2
283.13202	0.9
285.14969	1.2
289.14621	1.4
303.16055	4.1
304.16315	0.9
305.21213	1.8
317.17682	1.7
319.22806	1.3
371.15091	1.5
373.20181	14.8
374.20581	2.0
387.21796	25.2
388.21979	2.1
391.21445	4.3
392.21460	0.9
405.22833	45.4
406.23093	5.2
461.62216	0.8
464.24265	3.6
465.24503	1.0
479.26520	100.0
480.26859	14.6
494.78363	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	3.9
61.98818	0.9
62.48423	0.7
75.00855	1.0
76.12299	0.7
90.45356	0.7
91.04009	1.3
96.96024	0.9
117.03465	14.4
119.05036	9.7
121.02921	1.9
123.04559	0.8
145.02957	100.0
145.63660	0.7
146.03294	3.6
148.85880	0.6
150.82428	0.7
163.03989	6.1
172.86443	0.7
183.17592	2.7
211.17081	1.2
213.18657	5.6
214.18942	0.8
237.07793	0.9
243.19696	0.7
259.19135	32.0
260.19501	2.4
359.22223	7.3
387.21594	1.0
405.22818	58.7
406.23233	7.0
447.23746	1.0
479.26541	21.9
480.26651	3.4
495.36053	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.2
69.36970	1.2
69.37373	0.4
75.00820	0.2
78.86200	0.2
85.61021	0.2
89.02454	0.4
91.04027	0.5
93.03406	0.2
96.95357	0.2
100.14069	0.2
105.03457	0.3
106.04221	0.3
107.05025	0.5
109.07610	0.2
117.03467	1.3
121.02963	0.5
123.04522	0.3
132.02180	0.7
133.02957	23.5
134.03783	5.2
135.04529	15.0
136.04857	0.5
137.02440	3.2
139.03987	1.1
148.05309	0.8
150.03209	0.4
160.01694	0.5
161.02443	100.0
162.02800	4.3
178.02676	0.6
179.03496	4.9
179.05081	0.3
180.03741	0.2
197.19109	0.7
235.06160	0.7
243.19649	8.4
244.19833	1.1
245.13522	0.2
317.17590	0.3
319.22769	6.6
320.23184	0.8
343.22766	0.7
387.21753	46.1
388.22092	5.6
405.22784	14.3
406.23233	1.6
414.99091	0.2
479.26483	70.4
480.26801	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	479.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73611	0.3
53.86411	0.3
59.01381	100.0
60.01712	1.2
61.98855	0.4
69.63639	1.1
69.64043	0.6
71.01396	0.6
72.71438	0.3
73.02940	0.5
75.00861	0.3
76.67844	0.3
87.04517	3.8
93.14600	0.3
95.18384	0.3
101.02454	0.4
102.16509	0.3
102.75931	0.3
107.47468	0.3
121.03003	0.4
134.13097	0.3
135.04599	0.3
151.25031	0.4
161.93102	0.3
163.30978	0.3
164.12373	0.3
170.44562	0.3
201.11371	0.4
386.32620	0.3
461.29391	0.4
479.30228	2.9
499.83044	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30635	0.3
56.58554	0.3
59.01382	100.0
60.01720	1.1
69.27478	0.7
69.27882	2.7
71.45094	0.3
84.28114	0.4
85.46092	0.3
87.04515	6.7
109.43082	0.3
113.02494	0.4
135.04541	0.5
136.05301	0.4
161.02484	1.5
173.02518	0.5
196.05322	0.4
197.02463	0.4
199.03856	0.4
200.04843	0.4
201.01965	0.6
211.04062	0.6
211.37555	0.3
212.04785	0.8
225.05551	0.4
231.87082	0.3
240.04367	0.6
391.19223	1.3
393.17297	1.3
407.18896	0.7
411.18625	0.5
435.18378	3.2
435.27744	0.7
436.18402	0.5
450.98145	0.3
451.17648	0.5
461.16647	0.6
461.29242	1.3
479.17053	4.8
479.23218	0.5
479.30142	3.8
480.17566	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01731	1.2
60.14149	0.3
69.64378	1.9
71.01390	0.9
73.02975	0.4
78.89032	0.3
87.04525	3.9
101.02454	0.4
121.02857	0.3
135.04620	0.5
136.05336	0.7
151.07637	1.8
208.02087	0.3
299.10226	0.3
319.10751	0.5
327.22049	0.5
461.29410	0.6
479.30365	3.1
491.78250	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	9.9
61.98829	8.7
69.87563	7.2
71.01373	7.4
72.99315	2.6
73.02966	2.0
75.00887	5.3
85.02946	3.2
86.13410	1.4
89.02453	2.4
91.90459	1.2
93.03510	2.1
93.73765	1.3
96.96050	1.6
98.20605	1.5
101.02471	4.4
108.02200	3.7
109.02961	52.0
110.03367	1.7
111.00888	1.6
113.02473	5.3
119.05032	62.3
120.05388	2.6
121.02958	41.8
123.00909	5.3
123.04586	2.2
124.01688	4.1
132.79498	1.2
135.04509	2.5
137.02518	2.2
138.02029	1.8
138.05620	10.3
138.60670	1.3
139.00433	1.7
139.05966	2.6
145.02939	2.9
147.00945	1.3
151.00336	3.2
152.01138	3.1
153.01944	100.0
154.02325	2.3
159.04559	3.4
161.02420	1.9
161.04616	1.9
163.04033	13.2
165.01846	1.6
177.02036	1.5
195.03070	5.0
201.05638	1.7
231.06526	2.0
237.03891	2.4
271.02667	3.4
271.11017	1.2
272.06955	2.3
273.07669	1.5
287.02106	2.6
287.09219	9.9
297.06161	75.1
298.06509	6.8
316.02286	4.9
317.03055	2.3
317.10248	10.5
318.10495	1.7
417.12000	6.4
419.09836	24.6
420.10461	3.6
432.15686	1.4
461.10794	23.6
462.11356	3.7
479.12241	85.3
480.12784	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	479.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.4
57.03452	0.8
58.00602	0.9
59.01384	23.9
61.98846	1.8
68.40697	0.9
69.52407	5.9
71.01388	15.8
72.99323	0.9
73.02956	11.8
75.00879	2.1
83.01394	3.8
85.02959	5.1
87.00880	1.7
89.02460	11.4
90.66213	0.7
92.41364	0.7
98.20618	0.8
99.00875	1.2
101.02449	17.9
106.06635	11.9
113.02448	5.4
116.05087	1.2
119.05006	1.0
128.90224	1.8
131.03531	7.2
138.05650	1.4
139.63823	0.7
143.10786	100.0
144.08124	1.1
144.11134	4.1
149.04584	5.8
150.05620	4.2
151.07666	1.3
157.12329	4.1
158.09743	0.8
164.07106	0.9
167.05997	0.7
170.09665	1.1
183.88951	0.8
185.11885	2.2
186.12859	5.5
191.05641	7.1
194.04645	1.0
201.07820	1.1
203.05644	1.1
205.08994	0.8
215.09590	0.8
226.07480	2.2
228.10291	1.1
229.11053	0.9
230.11842	6.1
231.10248	3.1
233.06715	3.0
237.10452	1.1
239.08203	1.8
240.08936	1.7
254.10493	2.0
255.11418	8.3
256.09753	1.8
273.12473	2.6
274.10849	9.8
299.10425	3.3
316.11905	3.2
317.11526	9.6
317.15393	1.5
341.11392	1.4
359.12714	1.3
376.32281	0.8
419.26456	0.8
425.53787	0.9
433.77225	0.8
436.16849	0.7
461.15778	3.0
479.16745	6.7
479.28473	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	479.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	13.6
61.98813	2.4
64.65869	0.8
65.73738	0.9
65.78150	0.9
65.94231	1.0
69.29174	1.8
69.29585	7.7
71.01372	1.1
71.34876	0.9
75.00910	0.9
76.53900	1.0
78.95901	0.9
83.01382	0.9
96.95995	1.4
99.92593	8.4
116.92866	100.0
117.92874	5.5
118.96854	1.0
135.04488	1.6
145.02980	1.2
148.05276	1.2
154.82971	0.9
191.14368	1.3
207.17413	1.0
221.51361	1.0
231.17525	3.7
233.15311	1.2
241.38371	0.9
273.18542	2.1
275.16415	1.8
317.17624	4.7
319.10956	1.3
361.16556	29.3
362.16870	2.6
444.08835	2.3
461.08838	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	14.6
61.98851	0.7
68.70355	0.5
69.70248	2.9
71.01394	4.7
73.02964	1.5
73.73051	0.6
75.00881	2.1
83.01413	1.8
85.02952	2.1
89.02474	1.3
91.01919	0.9
93.03464	1.3
95.01381	0.7
95.05051	0.9
96.99349	0.9
101.02475	2.5
106.62137	0.6
107.01421	0.8
107.05013	0.6
108.02203	1.2
109.02964	52.2
109.06602	4.2
110.03318	2.0
111.00917	0.9
113.02454	2.6
119.05059	4.3
121.02968	7.3
122.03730	1.2
123.00877	1.1
125.02475	0.7
134.27719	0.5
135.00882	0.7
135.03734	0.8
135.04558	7.1
137.02489	0.9
137.06099	29.2
138.06442	1.6
145.02989	0.6
151.00352	0.7
151.03984	0.8
152.01137	1.5
153.01953	78.3
154.02344	3.3
161.02455	0.7
163.04044	4.7
169.12378	0.8
171.10341	1.0
177.02002	0.7
181.05081	52.8
182.05461	2.7
195.03004	2.8
205.11038	0.6
225.04103	1.1
231.12346	0.7
237.04158	0.9
297.06171	58.9
298.06573	4.1
317.10324	1.0
343.10406	3.6
461.11093	1.1
479.11978	100.0
480.12396	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	479.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	7.7
61.98844	1.6
68.25856	1.5
69.44857	10.4
71.01398	2.7
72.99311	2.5
75.00876	27.7
81.03456	1.3
85.02958	1.5
89.02438	1.6
93.03453	1.8
96.96036	1.4
97.36388	1.2
98.19894	3.0
109.02955	4.7
119.05047	3.1
121.02962	2.2
123.04512	3.9
125.02409	1.7
133.02988	9.5
134.03732	4.2
135.04533	100.0
136.01703	2.0
136.04865	3.3
137.02451	35.6
138.02798	2.7
149.02495	3.0
153.01935	4.4
161.02449	72.6
162.02800	6.5
163.03989	3.3
173.15193	1.3
177.02000	2.7
179.03487	24.1
187.04051	1.8
191.03488	1.6
221.57352	1.6
229.05243	1.3
237.04048	20.5
244.13838	1.2
257.04568	2.9
273.04034	3.2
273.07675	4.3
297.07654	5.5
299.05695	7.5
317.06732	3.7
341.06693	4.8
359.07870	9.3
377.08810	10.5
399.07248	5.6
400.07516	2.0
405.08240	1.8
417.08109	4.1
434.25085	1.5
435.09274	6.0
439.96796	1.6
479.11856	4.7
479.82162	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.6
69.37674	1.5
69.67698	0.2
71.01389	0.4
89.02460	0.8
91.04035	0.9
117.03477	19.4
118.03808	0.6
119.05036	10.2
120.05356	0.6
121.02965	2.9
123.04557	0.9
132.05789	0.4
133.02980	0.6
145.02965	100.0
146.03296	4.4
156.05847	0.4
162.03256	0.3
163.04016	5.7
164.04349	0.4
211.20668	0.6
241.21719	0.2
257.21237	8.5
258.21609	0.7
281.24979	0.2
300.99881	0.5
317.24863	6.5
318.25195	0.7
341.24725	1.3
385.23865	25.9
386.24222	3.4
403.24911	18.2
404.25284	2.7
477.28601	38.1
478.28979	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	477.286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	2.0
65.09782	0.2
71.01379	0.5
71.38617	0.5
89.02438	0.5
91.04006	1.0
117.03473	19.0
118.03794	0.6
119.05030	10.1
120.05424	0.4
121.02950	2.7
122.68052	0.2
123.04513	0.7
126.18379	0.3
132.05853	0.3
133.02965	0.9
134.03725	0.3
145.02962	100.0
146.03297	4.9
162.03218	0.3
163.04019	5.2
211.20758	0.4
257.18555	0.4
257.21252	7.5
258.21628	0.8
281.24841	0.3
300.99829	0.7
317.24890	6.5
318.25204	0.9
341.24878	1.1
344.32162	0.3
368.72128	0.3
385.23865	25.3
386.24265	3.5
403.24905	22.8
404.25180	2.3
409.85843	0.3
477.28613	37.4
478.28928	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	477.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.2
57.03453	1.2
58.00591	0.4
59.01382	100.0
60.01718	1.6
61.01802	0.5
61.98832	0.8
66.77995	0.4
71.01385	10.0
71.05007	0.3
72.99328	0.9
73.02956	4.0
75.00886	1.4
78.73537	0.3
81.03451	0.7
83.01395	2.3
85.02956	5.4
87.00883	0.8
87.04542	0.5
89.02471	1.6
95.01418	0.9
96.96060	0.5
99.00883	5.6
99.92580	4.3
101.02449	5.9
111.00915	0.9
113.02455	4.7
115.07686	0.7
115.92090	6.4
116.92867	23.5
117.92905	1.3
118.18450	0.4
119.03513	0.5
121.57844	0.4
125.02486	0.8
135.04578	0.5
143.03548	1.3
150.06915	0.4
159.03033	0.9
161.04565	2.3
181.62480	0.4
184.91786	0.4
185.02504	0.4
193.73674	0.3
213.09268	0.6
215.07358	0.5
255.19763	0.7
265.40939	0.4
273.20816	1.7
273.24432	1.1
300.80780	0.4
301.00034	1.6
305.43900	0.4
327.10571	0.5
335.20798	0.6
373.09607	0.6
391.11105	0.5
417.28958	8.4
418.29227	1.1
433.11954	1.1
435.29865	9.4
436.30243	1.1
477.10672	2.5
477.17361	0.4
477.26971	9.4
478.20096	1.3
478.27780	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.7
59.01385	100.0
60.01736	0.9
61.98845	3.0
71.01395	2.7
71.61140	0.8
72.99309	0.6
73.02957	1.1
75.00881	1.2
83.01406	0.5
85.02969	1.5
87.00864	0.5
89.02470	0.8
92.94158	0.4
96.96049	0.5
99.00899	0.6
101.02473	1.4
109.02954	0.4
113.02510	0.9
116.92881	0.6
119.05017	0.5
161.04543	0.4
197.06090	3.6
198.06812	3.6
199.07393	0.4
203.34731	0.4
213.09225	32.2
214.09549	3.2
229.01591	0.6
230.05904	0.7
241.14601	0.8
271.13266	0.5
273.14999	2.7
273.20752	0.6
274.15399	0.4
300.99911	7.4
301.03223	0.5
302.00192	0.8
344.52100	0.4
366.89368	0.4
391.23660	1.0
417.24133	0.8
417.29077	0.8
420.23245	0.4
433.24319	0.7
435.30075	0.6
477.03177	0.7
477.18710	0.3
477.19766	0.5
477.27185	5.0
478.27341	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.0679
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.6
70.11901	3.2
71.01371	1.1
74.37330	0.7
75.00879	22.1
93.03462	1.9
96.54218	0.9
96.96008	2.6
108.02193	1.9
109.02962	78.3
110.03291	2.6
121.02969	9.9
135.04533	2.8
137.02475	2.1
145.01451	1.5
145.02943	4.4
147.04539	5.4
149.02431	2.9
149.06097	1.4
153.01941	2.4
157.02974	7.2
158.03723	0.9
159.04532	9.3
161.02469	2.3
163.04060	1.4
173.02455	10.3
174.03192	2.5
175.04015	2.0
177.05501	1.2
185.02449	100.0
186.03168	16.2
187.03757	2.0
197.06296	0.9
203.03474	2.3
221.06158	1.3
225.05745	1.1
239.07094	2.9
243.06662	5.6
248.04739	1.1
249.05565	3.6
250.06189	1.0
251.07265	1.0
253.05095	4.7
254.05847	2.4
265.05075	1.1
266.05862	1.3
267.06696	4.6
269.08203	4.8
271.06131	5.3
277.05078	6.4
278.05807	1.3
279.03088	1.1
280.03760	2.2
283.06107	1.4
293.04520	3.2
294.05307	1.7
295.06125	92.8
296.06503	9.9
300.96561	1.1
300.99933	8.9
302.00302	1.7
313.07156	1.3
342.41412	0.9
371.07788	8.1
389.08499	1.3
477.02777	1.1
477.13873	1.1
498.15158	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.104
Annotation	Dracunculifoside B
Peak:m/z	Relative Intensity
51.56956	0.9
55.83647	0.9
56.10900	0.9
58.37514	0.8
58.50098	1.0
59.01388	4.7
66.19019	0.9
69.49408	7.2
70.12612	0.8
71.01381	7.5
73.02936	1.0
83.01395	0.9
85.02969	1.8
89.57033	1.0
91.01887	1.2
94.68289	0.9
95.01384	1.7
101.02451	2.3
104.71790	0.9
107.01399	1.8
107.05048	5.3
108.02168	1.9
109.02964	65.1
110.03298	2.7
111.00878	1.6
113.02435	3.8
123.00919	2.4
123.04561	2.3
125.02452	1.1
134.03714	1.6
135.04535	91.4
136.04904	2.5
138.05618	2.7
139.05962	1.6
151.00389	3.3
152.01166	2.2
153.01947	100.0
154.02307	3.1
163.03975	1.4
165.36212	1.1
179.03523	3.0
195.03032	5.3
200.74631	1.1
211.36711	0.9
225.04033	1.9
232.32231	0.9
282.53647	0.9
285.26877	1.1
296.05115	1.0
297.06165	87.6
298.06573	6.2
433.11411	54.2
434.11658	7.1
477.10410	19.5
477.22754	1.3
478.10760	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	476.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27442	0.3
59.01377	0.7
70.62649	0.7
78.72871	0.2
78.95909	8.5
96.96035	0.3
98.20040	0.3
140.01204	2.0
152.99579	0.7
161.26653	0.2
171.00710	0.6
196.03819	0.9
214.04854	3.1
261.22159	0.3
279.23291	100.0
280.23630	9.8
300.99918	1.8
311.08060	0.3
312.79568	0.2
476.27820	9.6
477.28076	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.9
62.96377	0.2
68.60874	0.2
69.31945	1.4
69.32346	0.4
75.04531	0.2
78.95909	24.1
82.75538	0.2
89.00563	0.2
96.96945	0.6
98.20751	0.4
107.64153	0.2
111.45731	0.2
121.24512	0.2
122.00124	0.6
122.98540	0.3
140.01202	6.2
152.99588	2.2
166.02797	0.2
171.00627	0.8
196.03810	10.9
197.04150	0.3
214.04868	2.5
261.22189	0.4
279.23297	100.0
280.23648	10.8
284.87131	0.2
300.99857	0.5
383.47519	0.2
476.27853	27.0
477.28156	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	476.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.9
60.01695	0.4
61.98835	100.0
69.84223	2.6
71.01395	0.7
73.91084	0.4
75.00883	1.4
80.30070	0.4
89.02456	0.7
95.02718	0.5
101.02455	0.6
109.02992	1.6
113.02502	0.9
119.05052	0.8
123.46932	0.5
135.04535	3.9
153.01959	1.3
179.03592	1.8
185.76245	0.5
212.30057	0.5
265.37851	0.5
297.06247	1.4
315.07440	0.5
342.29840	0.6
369.77670	0.5
477.10641	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94111	4.0
57.03445	9.8
59.01379	69.7
61.98526	5.8
61.98835	95.9
66.92078	3.4
71.01361	5.2
80.35538	3.0
81.93855	3.6
96.44846	3.4
98.19875	6.4
101.02444	5.0
106.51438	3.7
106.76798	3.6
122.50961	3.5
148.07663	4.1
186.59895	3.6
193.15952	6.0
209.19179	7.8
225.18587	6.2
229.51385	3.9
241.14847	3.6
249.18492	5.4
251.20247	28.8
252.20673	5.4
253.18071	6.3
295.19189	23.3
301.00064	8.6
339.18130	54.2
340.18140	4.4
413.21814	100.0
414.22162	12.3
459.26981	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86850	0.3
55.01853	0.8
55.32070	0.3
57.03409	0.9
58.00543	0.4
59.01386	22.9
69.03436	0.5
71.01387	10.8
72.99275	0.9
73.02946	2.8
73.52593	0.3
75.00838	0.5
81.03424	0.7
83.01403	2.0
85.02959	4.9
86.00069	0.7
87.00879	2.7
89.02431	0.6
94.52334	0.3
95.01370	0.9
97.02938	0.7
99.00818	1.5
101.02453	4.9
111.00819	1.0
112.01615	0.5
113.02457	2.1
124.01597	1.2
125.02477	2.2
143.03470	0.5
161.02446	0.6
186.03166	0.5
210.38597	0.4
225.22221	2.0
229.19676	0.3
253.21738	2.0
254.21642	0.5
271.22784	29.4
272.23141	3.0
283.22693	0.4
285.24332	1.1
302.00290	0.3
313.23715	1.1
328.97327	0.3
357.17114	0.4
383.14810	0.7
401.15985	0.8
415.27039	14.3
416.27264	1.8
433.28040	43.3
434.28381	5.2
457.27914	0.6
475.29129	100.0
476.29468	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	475.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.8
57.03438	1.1
58.00598	0.8
59.01387	30.7
60.91986	0.3
65.67373	0.3
67.51549	0.3
69.03448	0.9
69.29749	1.5
69.30178	1.7
71.01389	13.5
71.05022	0.9
72.99318	1.3
73.02953	3.9
75.00886	0.4
81.03471	0.6
83.01398	2.8
85.02960	5.7
86.00094	0.9
87.00877	4.4
89.02443	1.4
95.01405	1.1
97.02931	0.9
98.20091	1.5
99.00880	1.5
101.02452	6.8
107.80290	0.3
111.00903	1.0
112.01683	0.6
113.02458	3.4
119.03502	0.5
124.01669	1.5
125.02477	2.4
136.78326	0.3
137.39511	0.3
141.15363	0.4
143.03546	0.6
161.04716	0.3
220.89186	0.4
225.22205	1.0
253.21777	4.6
269.21271	0.6
271.22800	36.9
272.23184	2.6
283.22812	1.4
285.24341	1.2
313.23822	1.0
415.27032	20.8
416.27371	2.4
433.28079	53.8
434.28339	6.9
475.29138	100.0
476.29520	13.3
501.90668	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
59.89835	0.4
60.01725	1.0
70.93417	1.0
71.01373	0.4
75.00902	0.5
82.55108	0.4
167.65460	0.4
368.62607	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01095	2.4
59.01380	38.2
61.98821	2.6
67.68890	1.6
71.01385	15.0
71.10339	3.1
72.99300	2.1
73.02953	4.9
75.00854	2.4
75.88853	1.7
79.61465	1.6
83.01387	2.1
84.42291	1.6
85.02966	8.2
87.00864	3.5
89.02469	3.3
97.02953	1.8
99.00875	1.7
101.02442	8.8
113.02452	5.7
125.02442	2.0
133.02898	2.2
135.04520	2.8
173.52090	1.7
176.52727	1.7
253.21666	3.5
271.22784	38.1
272.23257	3.5
304.84357	1.9
415.27158	20.8
433.28040	44.2
434.28479	6.4
444.54047	1.9
475.29181	100.0
476.29538	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36467	0.4
55.01889	0.9
56.50977	0.5
57.03445	1.1
58.00608	1.3
59.01385	100.0
60.01714	1.1
65.59376	0.4
69.03443	0.7
69.38650	2.9
69.39064	1.1
71.01388	25.0
71.05022	0.5
72.01720	0.7
72.99321	1.4
73.02958	7.2
73.98968	0.5
75.00877	3.0
81.03481	1.8
83.01403	3.0
85.02953	7.1
87.00871	2.5
87.04546	1.6
89.02451	13.7
89.02995	0.8
93.03479	0.4
95.01407	1.9
97.02985	1.2
98.19837	0.8
99.00907	2.1
99.04552	1.4
101.01785	0.8
101.02451	16.1
101.06083	2.5
109.02997	1.5
113.02458	12.4
119.03512	5.6
119.05063	0.5
121.02967	0.6
125.02502	1.4
131.03535	1.0
133.87511	0.5
135.04625	1.1
143.03455	2.6
149.02470	0.6
149.04575	1.0
151.04062	0.6
159.03163	0.8
161.02467	1.5
161.04570	7.1
179.05621	2.6
185.06018	0.5
209.02063	5.1
213.15012	0.5
224.04622	0.5
227.03395	0.7
227.07208	1.1
253.14522	0.5
253.18378	0.4
271.19226	1.7
279.80447	0.5
315.18048	3.8
389.08237	0.6
397.22296	4.0
415.23471	8.3
415.28561	0.7
416.23883	0.8
431.09955	0.9
433.24460	6.9
434.24991	0.5
475.11548	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.4
57.03453	2.4
58.00608	1.3
59.01385	100.0
60.01721	1.7
69.03458	0.6
71.01389	27.5
71.05032	1.6
72.99311	1.7
73.02950	6.7
74.77660	0.6
75.00920	0.7
81.03452	1.4
83.01392	3.8
83.05061	0.8
85.02953	10.0
87.00881	2.6
87.04531	1.9
89.02451	16.1
95.01376	4.0
97.02969	1.3
99.00920	2.1
99.04538	2.2
101.02449	16.2
101.03075	1.2
101.06085	3.8
106.23634	0.6
107.01422	1.2
108.64709	0.6
111.00908	0.6
113.02457	18.7
116.92854	0.7
119.03521	8.8
119.05022	5.3
125.02493	1.4
126.40216	0.6
126.94425	0.6
127.62338	0.6
131.03534	1.3
133.60947	0.6
137.16458	0.6
143.03531	3.1
145.56958	0.6
149.04559	1.0
151.00389	4.6
161.04576	7.8
162.39894	0.7
179.05647	4.4
181.12447	1.0
195.05473	0.6
201.11441	0.9
229.43199	0.6
255.06990	0.6
271.06110	9.6
271.19150	3.1
315.18210	4.8
327.17975	0.8
343.17892	0.7
353.89380	0.6
361.83636	0.7
389.08704	1.0
397.22705	0.8
415.23444	16.9
416.24051	1.8
431.09692	1.0
433.24423	11.4
434.25134	1.0
459.72131	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89897	3.0
57.98333	2.8
59.01383	100.0
61.98837	4.5
71.01389	14.3
73.02943	4.3
75.00883	22.9
76.14887	2.3
83.01428	2.8
85.02968	6.6
89.02438	7.7
96.26761	2.9
98.18491	2.9
101.02448	13.9
109.02962	9.0
113.02460	8.1
119.03572	3.1
119.04942	2.9
135.04535	6.4
145.01808	2.5
145.02946	5.8
161.02417	11.8
161.04558	3.9
177.01906	8.1
181.96828	2.5
185.02689	3.0
187.03981	4.6
213.05638	4.2
245.04562	8.2
346.25516	2.8
355.08298	8.1
415.23288	8.4
432.80301	3.0
475.21707	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	475.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	14.2
59.01380	17.1
61.98838	11.7
71.01396	9.0
71.62138	1.8
81.03466	27.4
83.01402	7.0
85.02953	4.3
95.01408	1.6
95.04790	1.8
101.02416	1.9
109.02961	4.0
113.02486	3.3
121.06633	2.2
123.04555	8.8
125.02456	100.0
126.02773	2.8
137.02502	2.1
161.02472	1.9
167.03473	2.0
186.03275	3.2
221.19101	4.6
225.22208	1.9
230.02147	3.5
253.21754	2.0
263.20114	3.4
271.22772	17.1
281.17990	1.8
303.23102	2.0
305.21286	9.0
314.92596	1.6
323.64194	1.6
327.23508	2.0
331.19086	9.9
339.16089	2.8
345.24295	4.7
349.20218	66.1
350.20410	8.2
362.27328	1.5
387.25385	4.8
389.23419	4.6
401.16205	2.3
403.52731	1.7
410.68460	1.9
415.26971	22.6
416.27432	3.0
431.24463	18.4
432.24829	2.1
433.28055	21.2
434.28677	1.9
457.06964	3.2
457.22318	5.5
475.08060	5.4
475.19217	9.4
475.23355	11.5
475.29202	30.5
476.07471	1.7
476.23639	2.0
476.29553	4.1
493.08780	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01734	1.9
65.00316	2.4
71.01382	8.1
73.02962	2.7
73.50396	1.8
83.01369	2.2
85.02940	2.6
89.02473	6.1
91.51722	1.9
93.03473	3.7
98.19833	4.5
101.02432	3.6
107.01411	3.6
119.05051	11.0
129.12756	2.0
148.91087	2.0
151.00377	17.7
176.71906	1.9
176.75484	2.8
226.92708	2.1
271.06146	31.8
272.06592	3.2
375.97366	2.1
389.21945	5.6
502.39481	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26089	1.5
59.01383	100.0
59.86395	1.7
61.98832	3.6
69.87045	2.5
69.87449	6.0
71.01386	17.2
72.99313	2.8
73.02945	6.7
73.43054	1.4
75.00872	23.6
81.03456	1.6
81.72141	1.6
83.01407	3.9
84.68118	1.6
85.02946	6.3
87.00887	7.3
88.98798	2.1
89.02460	7.7
93.03458	2.6
95.01429	2.3
98.19963	3.1
99.00773	1.5
101.02444	11.5
109.02962	9.6
113.02460	6.6
119.03535	2.2
119.05070	4.1
121.02959	2.1
125.02448	4.4
133.02980	3.5
135.04514	7.8
138.05620	1.9
145.02945	4.4
147.04597	1.7
149.04512	3.6
149.06020	1.6
161.02539	8.3
161.04572	3.3
162.02798	1.8
163.04071	3.2
164.04823	8.7
179.05730	2.0
179.07094	9.4
187.03943	3.0
193.05133	3.4
213.05621	1.6
227.07329	1.6
240.04483	2.4
245.04483	3.0
267.06677	2.1
297.06192	2.3
313.03613	2.2
355.08170	3.5
371.17175	2.0
389.18317	7.6
431.19232	66.7
432.19797	9.1
435.54965	1.7
475.08264	1.7
475.21973	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48886	1.4
59.01392	9.4
61.19664	1.5
61.35682	1.4
64.06038	1.5
71.01375	2.2
71.60302	2.0
72.99316	2.2
73.02957	15.9
74.03271	1.4
75.00874	3.3
85.02956	14.8
93.03458	17.4
95.05000	2.4
95.24622	1.3
101.02414	2.0
103.81782	1.7
106.04243	3.9
107.05051	1.5
116.06059	1.4
119.05038	52.2
120.05367	2.3
121.06600	10.9
123.04549	3.4
131.05057	2.0
133.02965	8.7
133.06578	4.8
134.03761	15.0
135.04500	6.4
145.03023	1.8
145.06602	2.6
146.03798	7.5
147.04518	2.2
148.05319	8.5
149.06088	87.3
150.06400	3.3
161.02487	2.2
161.06110	17.7
163.04012	8.9
164.04860	1.7
165.05589	9.1
173.06096	4.2
179.07141	27.7
180.07449	1.8
191.07159	18.3
193.05087	18.8
205.05145	2.0
215.07162	2.1
223.06116	100.0
224.06433	4.6
233.08214	4.8
355.10327	14.7
356.11005	1.8
385.11407	78.2
386.11789	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	475.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	12.7
63.02400	2.5
63.86641	0.2
65.00325	6.2
71.01395	1.1
73.02952	0.5
75.00872	0.5
77.03879	0.2
81.03479	0.3
82.90126	0.2
83.01392	4.0
89.02452	0.6
93.03463	8.3
97.02921	0.3
99.08938	0.2
101.02444	0.7
107.01397	13.5
108.02251	0.4
108.99348	0.3
109.52171	0.3
113.02476	0.6
113.54843	0.2
119.05035	36.3
120.05350	1.4
121.02970	0.7
125.02437	1.2
131.01451	0.4
136.01640	0.6
143.03427	0.3
145.02953	0.9
149.02377	0.4
151.00380	41.4
152.00732	1.5
161.06075	0.4
164.01199	0.5
165.01962	2.1
169.01404	1.6
175.00420	1.1
177.01947	5.1
178.02332	0.3
185.06142	0.4
187.03983	0.5
193.01440	0.8
200.23969	0.2
201.11391	0.3
227.07172	0.8
253.05031	0.4
255.03149	0.2
271.06122	100.0
272.06467	8.2
274.82272	0.3
295.05820	0.6
313.07083	1.9
314.07574	0.3
337.69785	0.2
415.19232	0.5
415.24045	0.3
433.24445	0.4
475.12381	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.2
61.98850	1.4
69.29454	2.0
69.29858	6.8
70.05437	0.8
75.00913	0.9
78.95901	13.9
95.77983	0.9
140.01190	2.7
152.99591	4.0
196.03801	0.9
214.04909	3.2
263.32733	0.7
277.21710	100.0
278.22064	10.2
474.26178	10.9
475.26703	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	474.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86861	0.5
59.01393	1.8
61.15830	0.4
61.98822	0.6
71.01386	0.4
78.95908	36.1
89.96286	0.4
96.96946	0.9
106.35629	0.4
116.34119	0.3
122.00109	0.8
129.42787	0.4
140.01204	5.7
152.99609	4.4
171.00636	1.6
196.03798	12.4
214.04843	3.0
233.22733	0.4
259.20645	1.0
275.20026	0.5
277.21716	100.0
278.22055	10.1
291.12167	0.4
308.89255	0.4
336.24139	0.4
354.22662	0.4
399.50671	0.3
443.80804	0.4
474.26260	31.9
475.26706	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	474.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.1
61.98834	0.9
62.96406	0.6
69.46835	2.9
78.95907	27.3
83.05001	0.8
88.74648	0.4
92.59005	0.3
122.00122	1.5
134.98535	0.4
140.01201	7.0
152.99565	2.0
181.83731	0.4
187.84331	0.4
196.03804	15.2
197.04123	0.4
204.39029	0.4
214.04877	3.2
233.22641	0.8
237.71928	0.4
259.20660	0.7
275.20227	0.4
277.21719	100.0
278.22079	10.0
324.83780	0.4
372.61639	0.4
431.22040	0.4
474.26263	26.0
475.26480	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	474.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.9
69.62753	0.8
69.63174	0.7
71.01381	1.5
73.02945	0.3
80.17573	0.2
83.01374	0.2
85.02943	0.6
89.02467	0.6
101.02448	0.4
106.06628	1.0
113.02463	0.6
123.03272	5.6
124.03666	0.3
131.03384	0.3
138.05617	100.0
139.05962	3.7
140.07156	0.5
150.05615	1.0
161.04597	0.8
180.06654	0.6
192.06702	0.4
282.09796	1.8
300.10883	3.2
301.11148	0.3
308.03149	0.3
342.11932	8.6
343.12219	0.8
386.03568	0.3
414.13934	0.3
432.15005	3.5
443.43228	0.2
474.16025	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	474.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22007	1.2
59.01378	9.0
61.98833	100.0
65.50571	1.3
71.93160	1.4
71.93571	1.4
75.00877	1.5
78.57044	1.5
78.95896	2.4
85.31112	1.4
98.20663	2.8
109.92092	1.4
152.99593	4.7
167.16806	1.5
206.94102	1.3
209.19125	8.9
251.20163	16.5
252.20506	1.9
253.18146	2.0
269.21307	3.3
275.20279	6.1
293.21277	10.4
337.20065	5.8
411.23871	57.3
412.24252	7.4
448.72122	1.6
474.90811	1.4
475.27109	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	474.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43764	1.0
59.01387	5.6
61.98836	100.0
64.28271	0.9
75.90443	0.9
83.01393	1.6
86.56575	1.1
98.20665	1.6
101.02414	1.2
152.40663	1.2
189.47250	1.1
209.19125	7.3
249.22153	1.3
251.20145	16.1
252.20618	1.5
269.21225	2.4
275.20242	9.5
282.67307	1.1
293.21274	13.1
337.20190	6.1
411.23917	57.2
412.24265	6.9
475.28342	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	473.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66312	0.8
55.01875	2.1
57.03444	2.5
57.98714	0.8
59.01386	74.3
71.01392	26.5
71.60764	1.0
72.01716	1.0
72.99303	2.3
73.02955	11.5
75.00874	2.1
83.01399	5.7
85.02958	15.3
86.00120	1.0
87.00885	1.7
89.02504	1.6
95.01406	2.4
95.08346	0.8
97.02943	0.8
99.00877	4.2
101.02458	21.2
111.00838	1.1
113.02456	8.6
125.02441	2.0
125.09692	0.8
161.02361	1.0
161.04575	5.2
172.05331	1.0
231.10295	1.3
251.20158	2.0
269.21188	1.5
288.09772	1.5
387.27606	6.4
411.20218	1.0
413.25409	7.0
431.26489	12.6
432.26758	1.6
455.26349	1.3
473.27588	100.0
474.27896	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	473.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.7
71.61408	0.7
85.52634	0.8
90.90563	0.7
102.98674	0.7
121.06592	11.6
133.06590	2.0
133.95284	0.7
149.09732	100.0
150.10075	4.2
163.11305	3.7
188.69414	0.8
205.15952	5.1
297.18582	7.2
298.19135	0.9
311.20190	25.2
312.20459	3.2
323.20166	18.4
324.20615	2.0
356.24182	0.7
457.25232	3.3
473.30673	85.2
474.31009	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65837	0.2
52.34735	0.2
52.81339	0.2
56.53142	0.2
57.01056	0.1
59.01382	5.3
68.01429	0.4
71.01387	1.9
73.02977	0.2
75.00861	0.6
83.01378	0.2
84.01324	0.1
85.02951	0.5
87.00918	0.2
89.02440	0.9
98.15150	0.2
99.00870	0.2
101.02428	0.5
106.06648	0.6
109.02953	0.3
113.02477	0.6
122.02510	0.2
123.03277	5.9
127.37374	0.2
131.03511	0.2
136.04070	0.7
138.05617	100.0
139.04253	0.2
139.05971	3.4
140.07195	0.6
150.05598	0.5
161.04576	0.8
180.06676	0.5
182.08209	0.4
192.06708	0.6
282.09830	1.9
300.10898	3.3
301.11179	0.4
342.11908	8.3
343.12411	0.5
432.15070	3.7
433.15585	0.6
459.26462	0.2
474.16113	2.2
475.17007	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	2.2
57.03457	1.5
58.00597	1.2
59.01385	76.2
60.01710	0.9
69.03457	0.8
69.40559	2.8
69.40967	0.6
71.01389	22.7
71.05030	0.4
72.01723	0.4
72.99317	1.4
73.02952	12.9
75.00870	0.8
78.47501	0.4
80.11269	0.4
83.01400	5.3
85.02957	11.6
85.03447	0.8
87.00872	2.4
87.04520	5.2
87.34693	0.4
89.02440	7.8
89.02994	0.4
89.17106	0.4
95.01406	2.5
97.02955	1.1
99.00899	2.9
101.02451	19.6
101.06094	1.8
102.02792	0.6
113.02457	8.6
119.03526	2.9
122.59547	0.4
125.02468	1.0
128.76112	0.4
131.03526	0.6
143.03523	1.1
159.03029	1.5
161.04565	6.2
179.05656	0.5
207.17552	0.5
251.16528	0.8
269.17584	0.9
387.23911	5.3
388.23886	0.6
413.21820	4.9
431.22745	6.2
432.22873	0.8
455.23026	0.6
473.23920	100.0
474.24301	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	473.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01711	0.7
71.01389	0.9
73.02967	1.1
95.01440	0.5
101.02480	1.2
113.02491	0.4
131.44246	0.4
163.64809	0.4
165.79625	0.5
210.18022	0.4
377.52289	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41281	1.1
52.28449	1.0
53.23797	1.2
55.01880	2.0
57.03431	2.0
59.01383	80.7
70.14696	5.4
71.01389	25.4
71.05032	1.5
72.99303	2.2
73.02956	12.4
83.01406	6.6
84.80995	1.3
85.02959	14.2
87.00864	1.9
87.04530	6.9
89.02442	9.6
95.01385	2.6
99.00903	3.4
101.02447	22.2
101.06104	1.7
113.02448	10.0
119.03485	2.3
143.03453	1.8
161.04570	5.5
251.16476	2.2
277.07886	1.2
387.24030	8.0
413.21817	9.5
431.22736	13.4
432.23135	2.7
473.23914	100.0
474.24356	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.6
55.60710	0.7
57.03445	1.0
58.95335	0.7
59.01384	60.0
69.03454	1.9
69.50739	6.5
71.01384	19.8
71.05020	1.6
73.02955	7.6
82.53316	0.7
83.01389	3.2
83.36073	0.7
85.02965	10.6
86.00099	1.7
87.00871	8.6
87.04514	1.8
89.02443	3.6
94.68003	0.8
95.01390	2.4
97.02959	1.6
99.00881	2.0
99.88151	0.7
101.02451	12.8
101.06097	1.4
108.83515	0.7
113.02474	6.9
125.02465	1.7
143.03485	1.0
169.12321	3.9
181.78931	0.9
195.10257	1.1
197.11864	12.0
209.11891	1.0
217.97899	0.7
223.17076	1.6
243.48111	0.8
251.16483	4.8
253.18074	8.9
254.18420	1.4
261.39682	0.7
267.16092	3.9
269.17578	84.6
270.17960	7.8
271.19223	2.0
293.17477	1.0
413.21820	62.5
414.22177	7.6
429.21149	1.1
430.53497	0.8
431.22803	37.1
432.23129	3.6
464.73444	0.9
473.23880	100.0
474.24210	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	473.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90480	0.7
52.97738	0.7
59.01382	100.0
61.98828	1.8
68.27356	0.8
69.36562	1.7
69.36961	6.0
72.95953	0.6
78.95910	6.9
79.13090	0.7
98.19746	0.9
109.80455	0.7
122.23994	0.6
145.09879	0.8
152.99600	10.6
171.00746	0.9
248.85880	0.7
260.18701	0.6
449.86804	0.8
473.23636	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27205	0.5
59.01384	100.0
60.01720	1.4
60.99316	2.6
61.01021	0.5
61.98846	0.6
69.46260	2.0
69.46685	2.3
69.96445	0.6
71.01389	4.5
73.02956	1.0
75.00883	2.3
83.01403	1.0
83.65447	0.5
85.02963	1.6
87.00868	0.7
88.98814	14.9
89.02474	0.9
95.01425	0.6
95.88255	0.6
98.19881	0.9
101.02467	2.7
109.02927	0.6
113.02467	1.6
125.61629	0.6
145.03046	0.7
159.04611	0.6
161.02519	1.3
161.04543	0.8
172.05350	2.4
185.06230	0.7
186.06914	0.9
187.07768	1.9
187.09769	1.8
200.04825	1.1
200.08458	0.6
201.05579	0.8
201.09270	2.3
214.06303	1.2
215.07118	7.5
216.07967	1.1
217.77155	0.5
223.17145	0.8
229.08652	0.9
231.10287	1.2
241.08803	0.7
243.06636	0.9
243.10159	0.8
244.07401	0.8
244.11099	0.9
256.07272	0.7
259.09872	0.9
265.22119	0.6
287.09381	1.4
288.09933	1.4
383.20743	1.4
413.25558	1.1
431.26474	1.7
473.27579	13.6
474.28033	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.218
Annotation	Picrasin A
Peak:m/z	Relative Intensity
51.09349	0.7
51.39075	0.7
52.80202	0.7
57.03450	14.1
59.01389	5.6
61.98825	6.1
65.00314	1.2
71.61135	1.0
71.76292	0.8
72.78496	0.8
75.00863	0.9
76.58624	0.7
78.95900	2.8
81.03461	7.9
83.01405	4.0
85.02894	0.7
90.01802	0.7
118.60070	0.9
119.05023	0.9
121.06592	3.8
123.04534	6.3
125.02447	100.0
126.02763	2.6
147.04555	1.1
149.02354	1.1
152.99568	5.3
165.05531	2.0
167.03534	1.0
189.05637	1.6
195.17531	2.9
219.17458	2.3
235.20753	0.8
249.84799	0.8
259.20538	3.7
261.18607	4.8
301.21725	7.3
303.19666	4.0
319.22812	0.9
325.21521	1.0
343.22714	5.3
345.20703	4.7
347.18607	11.4
369.20551	4.1
373.62314	1.1
385.23792	2.2
387.21725	2.3
389.19800	5.6
411.23822	1.9
429.22806	20.0
430.23096	2.9
473.21793	34.3
474.22046	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	473.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00585	0.4
59.01383	100.0
60.01730	1.0
61.98834	2.0
63.42867	0.4
64.00452	0.4
64.40411	0.4
68.19878	0.4
71.01385	7.2
71.01761	0.6
71.61838	0.6
72.99300	0.9
73.02955	2.4
75.00880	1.3
77.13188	0.4
83.01399	0.9
83.05069	0.5
85.02966	2.0
87.00838	0.4
87.04549	0.4
89.02465	1.8
95.01411	0.8
96.95983	0.5
97.02958	0.4
97.06612	0.5
99.00905	0.8
101.02444	4.4
111.04530	0.5
113.02454	2.3
119.03507	0.6
121.02995	1.1
123.08215	0.5
126.45499	0.5
131.03534	0.6
139.04028	0.9
144.07253	0.5
159.04529	0.5
161.04599	1.2
161.83716	0.4
172.05328	0.6
199.07616	0.5
215.10732	0.6
225.09387	0.6
227.03571	1.2
227.10742	0.6
228.04402	0.5
256.10941	0.5
273.14951	0.5
277.66379	0.5
285.15076	0.8
313.14560	1.7
337.32288	0.5
341.13998	1.1
343.21527	0.6
367.15717	0.5
385.16617	0.8
409.26172	0.4
413.21631	0.9
429.21213	5.6
430.21805	0.8
431.22998	0.8
471.94028	0.5
473.24228	2.2
473.28168	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.3
57.03448	2.4
58.00582	1.6
59.01386	100.0
59.99055	0.9
69.03446	1.3
69.64270	3.9
69.64710	3.3
71.01392	30.7
72.99314	1.9
73.00930	0.9
73.02956	7.3
75.00860	2.9
83.01395	4.6
85.02959	13.0
87.00867	2.7
87.04507	7.8
88.73359	1.1
89.02445	4.6
95.01399	3.5
97.02946	2.9
98.27413	1.0
99.00884	2.7
99.04554	1.2
101.02458	14.4
101.06045	5.0
112.01630	1.2
113.02457	11.4
119.03497	1.4
119.05039	1.3
124.01624	3.0
125.02441	5.0
143.03540	2.0
161.04567	3.1
197.19353	0.9
202.89749	0.9
216.82446	1.0
233.70140	0.9
251.16455	2.7
269.17624	5.3
269.21332	1.3
287.22345	10.9
343.21350	2.3
387.24100	1.9
413.21747	23.9
414.22000	2.5
429.21246	4.4
429.28409	1.4
431.22672	11.6
431.26874	8.9
432.22821	1.4
436.24988	1.1
473.23999	27.5
474.24158	4.0
474.28793	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	473.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63324	1.1
59.01381	70.2
60.99308	13.5
71.01384	3.5
71.02885	1.5
75.00875	7.6
85.02946	1.9
88.98810	100.0
89.99131	1.7
113.02480	2.0
114.80720	1.4
125.02433	1.4
131.80324	1.4
140.17075	1.2
149.66461	1.2
156.26109	1.1
159.04527	2.8
171.08234	1.3
172.05278	3.0
173.06038	2.4
185.06007	1.7
187.07616	4.3
201.05573	2.7
201.09230	5.5
215.07124	15.6
216.07846	1.7
223.16988	2.3
229.08745	2.9
231.10323	2.1
244.07301	1.4
244.11032	2.4
245.08069	1.3
256.07294	1.9
265.18097	3.2
267.73889	1.3
269.08170	1.6
287.09174	3.5
288.09940	3.5
354.18494	1.4
383.20789	13.0
384.21240	1.6
431.26315	2.0
473.10468	1.8
473.27280	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	473.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61886	1.6
52.91100	1.4
59.01383	70.1
60.99306	17.7
71.01385	7.9
71.61503	2.1
72.99296	2.9
73.02937	2.1
75.00887	8.1
77.03304	1.7
83.04995	1.8
85.02955	3.4
87.00925	1.7
88.98811	100.0
91.25154	1.9
92.90754	1.6
99.00900	2.9
101.02427	4.6
113.02442	4.1
121.02995	2.2
146.03755	2.1
159.04480	3.8
163.07726	2.0
170.03665	2.7
171.04582	2.5
172.05284	5.6
173.06055	4.1
174.06862	2.6
181.16017	2.2
185.06137	2.6
186.06813	2.2
187.03979	3.7
187.07605	9.6
199.07726	3.0
200.08432	3.0
201.05612	5.4
201.09169	10.6
202.06343	3.6
211.07582	2.3
213.01736	1.6
214.06261	2.9
215.07152	23.0
216.07849	5.8
223.16969	4.1
225.09155	2.9
229.08664	4.2
231.10172	8.1
241.08669	2.0
243.06633	3.2
243.10181	4.7
244.07350	3.3
244.10851	2.7
245.08206	4.4
259.09839	3.6
265.18188	3.8
269.21243	11.5
287.09219	8.7
288.10141	9.4
383.20688	14.8
413.25323	5.8
431.26535	12.1
473.27463	30.5
474.27643	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	473.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33563	1.6
56.34170	1.4
58.00599	2.5
59.01380	61.1
62.02813	1.4
69.03456	3.5
70.16174	7.6
71.01386	52.8
72.40268	1.6
72.99305	4.5
73.02955	9.0
75.00862	4.5
80.04705	1.7
81.03467	1.9
83.01398	5.3
85.02962	8.4
87.00864	2.6
89.02447	60.8
91.92165	1.8
97.02950	4.0
101.02445	15.7
106.06635	3.9
113.02436	9.6
119.05033	100.0
120.05402	4.7
125.02464	20.6
131.03497	13.3
140.35609	1.7
141.28790	1.6
149.04572	23.0
150.05647	2.7
161.02385	2.1
161.04617	2.3
161.64221	1.5
166.83730	1.9
191.05634	6.1
194.85892	1.4
233.06668	4.6
293.08810	55.6
294.09143	4.0
353.06396	2.0
373.89502	2.1
473.10559	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	473.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27020	0.9
55.01872	1.4
56.27600	0.9
57.03452	2.5
57.41295	1.0
59.01384	100.0
61.98833	9.0
69.03480	1.5
70.02086	4.3
70.74151	1.0
71.01388	28.7
71.05022	1.1
72.99305	2.9
73.02950	10.4
75.00880	5.1
81.03448	1.4
83.01395	2.9
83.05061	2.3
84.83575	1.0
85.02969	9.5
85.16403	0.9
87.00906	2.6
87.04483	1.3
88.66640	0.9
89.02444	6.5
93.03474	3.6
97.06596	1.3
99.00881	4.1
101.02454	11.6
109.02992	1.3
111.04539	8.3
113.02454	6.5
119.03519	2.7
119.05049	1.2
121.02966	11.9
123.08236	0.9
139.03970	7.5
145.02951	1.9
146.03688	1.3
159.04526	1.6
161.04546	5.5
161.05730	1.0
173.06056	1.5
185.06061	2.5
187.04086	1.3
197.06035	3.0
199.07610	2.4
200.04880	1.2
200.08363	1.6
201.05472	3.1
211.03903	1.4
211.07520	1.1
212.04790	1.5
213.05562	2.8
213.09154	2.1
214.06512	1.4
215.07138	2.8
215.10727	2.0
216.07970	2.2
223.07564	1.9
225.05632	2.6
225.09322	1.8
226.09975	1.2
227.03532	1.3
227.07205	1.6
227.10822	4.1
228.11540	1.2
229.05208	1.5
229.12039	1.4
235.13373	2.6
236.13701	1.6
237.09264	1.1
237.14175	1.1
239.07201	1.7
240.11636	1.8
241.05113	2.9
241.08656	2.5
241.12321	3.1
243.06616	1.9
244.11345	1.7
245.11916	1.2
253.08986	1.3
253.11874	1.0
255.10179	3.0
255.13869	1.7
256.11053	10.0
257.08228	1.6
257.15552	1.4
266.13315	1.3
267.10364	1.2
269.11954	2.4
269.15411	3.5
270.09094	1.4
273.14880	1.8
284.10736	5.1
284.13571	1.6
285.14877	7.7
287.09143	1.6
288.10083	2.3
295.16962	2.0
297.15109	1.4
310.12082	1.2
312.10284	1.9
313.07269	1.4
313.14487	17.5
313.17889	0.9
314.14938	2.5
323.16519	3.7
327.16132	1.4
339.15945	2.7
341.13898	10.4
341.17422	1.5
354.14063	1.1
357.17136	4.9
367.15625	3.2
385.16684	7.3
386.16885	1.3
387.24075	7.2
401.08789	2.2
413.21646	3.1
431.22830	3.2
473.23459	32.8
474.24210	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	473.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92146	1.3
59.01384	100.0
61.98840	1.7
71.01392	27.0
71.61971	2.1
72.99306	3.9
73.02945	2.1
75.00887	8.4
77.86150	1.4
83.05024	1.8
84.53408	1.3
85.02934	4.0
89.02425	2.1
93.03475	3.8
95.01373	1.6
99.00865	3.8
101.02443	4.9
107.06036	1.3
111.04514	5.8
113.02450	3.1
116.92867	3.9
118.86887	1.3
118.99879	1.9
121.02969	7.2
139.03983	7.6
146.03735	1.7
147.04460	1.6
151.21600	1.4
161.04549	2.2
172.05286	1.7
173.06013	2.5
183.04477	2.9
185.06062	3.4
186.03215	1.8
186.06805	2.6
187.03879	1.6
187.07597	3.6
196.05231	2.0
197.06058	4.8
199.07513	2.9
200.04730	1.5
200.08443	1.7
201.05499	1.9
202.06226	1.8
209.06073	1.9
211.04060	1.7
211.07623	2.8
213.05475	3.7
213.09190	1.9
214.06281	1.5
215.07112	4.7
215.10655	3.1
216.07874	2.9
223.07602	2.1
225.05608	3.4
225.09187	2.5
227.07138	3.7
227.10730	6.7
228.07909	2.1
228.11433	2.5
229.12387	2.3
237.05789	1.5
237.14932	2.1
239.07120	1.7
241.04971	3.2
241.08759	2.9
241.12370	4.9
243.06572	3.2
243.10237	3.7
245.11766	1.5
253.08713	2.3
255.10243	4.2
255.13864	4.4
256.11087	12.1
257.15295	2.2
268.11035	2.5
269.11850	2.3
269.15375	2.9
270.12704	1.6
283.13354	4.0
284.10541	5.5
284.13980	3.3
285.15076	9.0
287.09216	3.1
288.10004	4.3
295.13358	1.6
295.16928	2.0
301.14407	1.5
309.15146	2.2
310.11984	2.0
313.14529	28.0
313.17886	2.5
314.14746	3.5
321.14978	2.1
323.16510	3.9
327.16113	3.4
339.16061	4.6
341.13916	12.7
353.13919	8.3
357.17099	5.7
367.15530	6.6
371.14856	3.2
385.16617	9.2
429.15305	2.1
433.33340	1.5
473.27231	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	473.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.9
59.24549	0.6
65.63406	0.6
69.33233	5.8
71.01380	2.2
75.00864	3.6
80.96510	0.8
83.01388	2.3
85.57692	0.6
87.00872	0.8
89.02424	0.8
93.03465	1.0
97.02941	1.2
99.00874	1.5
101.02448	1.3
109.02962	43.1
110.03306	1.3
111.00140	1.5
111.00884	21.6
112.69701	0.7
113.02477	0.6
119.04995	1.4
121.02978	2.6
123.03260	1.6
123.04499	3.4
131.04990	1.2
134.03740	1.1
135.04527	24.8
136.04832	1.2
137.02440	1.6
137.06113	1.1
138.05620	24.5
139.04021	1.5
145.02940	1.7
147.04547	3.1
149.02411	3.7
149.06096	7.8
150.03224	1.3
151.04013	1.0
153.01956	0.9
159.04536	5.3
161.02429	2.7
161.06067	0.7
162.03250	6.2
163.04004	4.0
164.98711	0.8
165.01930	1.2
165.05600	3.2
173.06052	0.7
175.04025	4.8
176.04810	1.6
177.05583	37.6
178.05962	2.1
179.03513	5.4
179.07115	2.4
185.02434	2.7
186.03220	0.7
189.05576	2.0
191.03487	3.8
193.05009	0.7
201.05492	1.3
203.03510	4.2
205.04944	0.8
217.31847	0.7
219.02977	7.3
219.06564	7.3
220.06798	0.8
221.04561	100.0
222.04916	5.4
231.06581	1.0
233.04593	1.3
245.04420	0.8
249.07796	1.6
263.05640	3.0
267.08798	2.2
279.03067	1.8
283.09949	1.3
293.06982	3.7
295.06143	1.6
300.11063	0.9
309.07828	1.8
311.07745	95.2
312.08090	9.1
321.04083	4.8
340.05264	0.8
342.11945	2.5
383.10001	4.8
394.65329	0.6
397.05460	1.3
432.15161	1.6
455.11893	1.8
473.13068	24.4
474.13791	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	473.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.3
59.90219	1.0
69.03415	1.2
69.95654	3.7
75.00878	4.0
82.20357	0.9
87.00928	1.2
97.02966	2.1
99.04527	2.1
101.58910	1.0
109.02960	24.2
110.03271	0.9
121.02958	1.5
133.03036	1.5
134.03783	1.9
135.04530	100.0
136.04855	3.9
143.05060	1.7
145.02826	0.9
147.04512	1.7
148.05287	2.3
149.06088	32.6
150.06458	2.7
151.07610	2.9
157.23068	0.8
159.04445	1.6
161.02452	2.6
161.06094	8.7
162.03061	0.9
163.03964	1.2
163.07541	1.3
165.05476	0.9
167.91718	0.9
171.04433	2.4
173.06053	6.1
174.03214	1.4
175.04070	4.8
177.05571	9.4
179.03491	3.3
187.03954	1.4
188.04872	1.4
189.05594	17.0
190.05904	2.0
191.07170	5.7
191.08864	1.0
193.05063	1.0
195.06613	3.8
203.07130	2.9
207.06644	13.7
219.06638	3.9
221.04541	19.4
231.04472	1.7
231.06630	14.2
232.07002	1.1
235.03920	1.7
235.06116	16.9
239.05624	12.5
240.06425	1.0
249.07715	9.5
253.07108	2.1
271.08200	2.1
281.06638	1.7
293.06888	1.3
297.09763	3.4
311.07715	7.7
311.11389	3.9
321.04062	2.0
345.09668	1.0
369.11905	2.1
383.09995	4.6
393.11816	1.8
397.11243	2.8
401.10822	8.7
402.11533	1.0
411.12857	2.0
413.10907	6.3
414.11197	1.2
415.12799	5.2
443.12109	6.5
455.11993	2.0
473.13046	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70433	0.4
57.03455	0.6
59.01383	18.4
61.98830	0.9
64.60345	0.4
70.92246	1.1
71.01387	6.3
71.05021	1.0
71.30180	0.4
72.97979	0.4
72.99310	1.0
73.02952	3.5
75.00878	9.8
79.27686	0.4
83.01405	0.7
85.02960	1.9
85.06603	1.1
87.00883	1.6
89.02435	3.9
92.05011	0.9
93.03476	1.3
95.01435	0.6
97.02933	0.5
97.06596	0.8
98.20026	0.5
99.00885	3.8
99.08160	3.5
101.02432	2.9
107.05070	0.7
109.02979	3.0
113.02479	2.4
115.04009	0.7
115.05586	0.5
119.03515	1.3
119.05033	1.2
121.02938	1.2
123.03266	4.9
123.04533	15.2
124.03986	0.5
124.04839	0.6
125.02494	0.8
125.06093	2.6
131.03505	1.1
133.02951	1.2
135.04547	3.2
136.04037	4.6
137.02637	0.5
137.04424	1.8
138.05618	100.0
141.05557	0.6
145.02934	2.5
147.04509	3.3
149.02489	0.7
149.06070	0.6
151.04047	1.2
151.07680	0.8
157.02994	0.9
159.04541	4.5
161.02463	6.3
161.04594	1.1
163.04102	0.9
167.03473	0.7
168.04286	0.6
169.05035	0.6
171.04559	0.6
172.05238	0.5
173.02438	1.0
173.06090	0.7
175.03954	2.2
177.01958	0.9
177.05603	1.0
177.12782	0.5
179.03603	0.4
179.05560	0.7
179.07143	1.0
180.06641	0.7
185.02460	8.0
186.03198	1.7
186.05168	0.5
187.03995	1.0
187.11322	2.0
189.05598	0.5
191.03554	0.6
192.06906	0.5
199.03989	0.6
201.05705	0.5
203.03520	1.7
203.10991	0.5
205.05081	1.9
205.12340	14.6
206.12717	1.2
217.05132	1.2
221.04410	0.5
222.93518	0.5
223.13445	3.7
224.04881	0.8
231.10262	4.2
232.10448	0.5
237.05742	0.6
238.06398	0.6
239.07137	1.0
243.03000	0.9
244.03746	1.9
245.04495	0.4
248.04887	0.5
249.05768	0.7
249.11348	7.3
250.11728	0.7
251.03532	0.8
251.07100	0.8
252.04315	0.6
253.05127	1.3
257.08267	0.8
263.06876	0.6
265.05099	1.0
267.06546	4.3
267.12384	6.9
268.07352	0.7
269.08292	1.4
275.09305	1.7
277.05026	1.3
279.03082	1.9
279.06366	0.6
280.03720	1.7
281.08307	0.8
282.09793	1.9
283.09665	1.1
291.06711	1.3
293.05106	2.1
293.10318	17.8
294.05273	0.9
294.10648	1.3
295.06207	1.0
300.10864	3.5
306.05389	0.5
307.06161	0.6
309.07678	9.8
310.08209	0.9
311.05542	1.7
311.11392	34.5
312.11731	2.8
321.04086	2.9
323.09247	3.6
339.05182	1.4
341.10333	2.5
342.11993	8.9
353.06754	1.3
353.12357	0.8
367.08191	1.0
385.09247	2.2
397.05597	2.0
411.07233	0.7
429.09418	1.9
432.15237	2.6
437.10916	0.7
473.10117	0.7
473.16177	5.5
474.16394	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	473.0574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45485	3.5
58.97275	4.3
70.08981	17.0
92.60072	4.5
93.03450	24.4
97.15384	3.9
102.35113	4.2
109.02957	100.0
135.04550	9.1
137.02437	29.5
149.06087	6.7
150.46683	4.3
150.87479	3.8
161.02505	5.2
177.05544	5.0
193.04964	9.2
221.04445	3.6
311.07956	4.5
439.85748	3.9
456.88763	5.0
492.36368	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	471.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11670	0.5
59.01376	5.7
60.81556	0.6
61.98834	0.5
66.86884	0.5
70.30807	1.8
71.01359	0.9
74.55689	0.5
75.87695	0.5
78.95470	0.7
78.95909	9.2
80.74363	0.6
83.05021	0.6
97.33836	0.5
110.98561	6.4
118.04235	0.5
165.95158	0.5
167.01196	2.8
185.02211	8.4
205.19621	1.8
226.65839	0.5
233.62549	0.6
239.31458	0.6
245.47896	0.5
259.08536	0.6
259.24304	7.6
260.24762	1.5
303.23291	100.0
304.23660	10.9
380.16302	0.7
471.25238	6.9
471.35297	3.9
472.25339	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65300	0.4
57.03440	0.6
58.00611	0.6
59.01384	100.0
60.01730	1.0
69.45830	3.6
71.01394	6.5
73.02959	7.0
75.00893	1.2
83.01400	2.2
83.05058	0.6
85.02962	1.9
89.02466	1.8
99.00858	0.6
101.02451	6.4
107.70506	0.5
113.02479	2.4
119.03502	1.1
119.04958	0.5
125.09747	1.5
139.14702	0.7
149.04547	0.6
161.04636	1.3
179.10829	1.1
207.17567	1.9
223.16994	0.6
249.15038	2.6
251.16507	2.8
267.16000	1.4
289.17474	0.6
323.05661	0.5
411.20282	1.9
429.21411	2.2
430.21182	0.7
471.22372	29.4
472.22470	3.8
497.64697	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79856	0.5
57.03459	0.7
58.00627	0.4
59.01381	100.0
60.01715	1.1
61.98844	0.7
67.71435	0.5
69.03461	0.6
71.01382	4.5
72.99316	0.6
73.02953	2.4
75.00874	2.3
77.51474	0.5
83.01389	1.2
83.05009	0.6
85.02956	1.8
89.02449	1.2
95.01380	0.5
97.03056	0.5
97.76941	0.5
101.02452	2.6
113.02454	1.8
115.73549	0.4
125.02449	0.9
133.02940	0.5
135.02565	0.5
139.04070	0.8
140.71681	0.5
148.05359	1.0
161.02472	1.6
161.04633	0.6
168.48412	0.5
174.24945	0.5
195.12476	0.5
202.02754	0.5
205.16054	0.6
223.17146	0.8
238.17218	0.5
249.15030	0.8
249.18362	0.7
267.16049	1.4
267.19724	2.0
285.20813	1.7
351.15958	0.5
395.15317	0.8
411.23975	2.4
429.24893	6.8
471.25818	8.0
472.26477	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43822	6.0
59.01383	100.0
63.41568	6.6
69.52331	17.9
69.52763	26.6
71.01394	30.7
73.02957	51.3
76.49356	6.1
83.01407	7.7
83.05028	21.1
83.79743	5.5
85.02967	10.2
89.02437	11.7
101.02457	45.4
113.02450	18.5
119.03535	10.3
121.02962	57.5
135.04524	14.9
147.04536	9.3
149.04567	8.3
152.99414	5.9
161.04495	12.8
194.78061	6.6
328.54767	6.0
336.52164	7.0
357.67825	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95701	0.4
57.03453	0.5
59.01384	100.0
60.01712	1.4
69.03458	0.4
69.28728	3.8
70.18089	0.4
70.72473	0.4
71.01385	6.3
73.02954	11.3
73.03347	0.8
73.47026	0.4
75.00886	1.4
76.02309	0.4
83.01399	3.6
85.02954	0.9
89.02476	1.4
89.98013	0.4
98.20625	1.0
101.02455	10.5
113.02474	2.5
119.03522	0.5
123.17532	0.4
131.03535	0.5
143.03520	1.2
149.04617	1.4
161.04556	2.2
165.12831	0.7
192.43898	0.4
205.79410	0.4
207.13939	2.5
221.06628	0.5
221.15593	0.5
227.03580	1.4
231.13843	0.8
249.15005	1.2
267.06729	0.9
300.03024	0.5
395.14868	0.5
471.22110	3.2
471.30200	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57412	0.3
59.01382	100.0
60.01727	1.2
61.98843	0.8
67.79357	0.3
69.56115	1.2
69.56528	1.0
71.01385	3.6
73.02934	3.3
75.00873	0.9
83.01405	0.8
85.02950	0.6
87.00897	0.3
89.01989	0.4
89.02454	2.0
94.45277	0.3
95.50138	0.3
101.02456	4.0
110.03918	0.3
113.02421	1.8
119.03542	0.7
119.05054	0.5
139.04086	0.4
145.02954	0.4
149.04562	0.6
161.04567	0.8
202.22746	0.3
267.06805	0.4
267.16098	1.2
361.98959	0.4
411.20306	0.6
447.91913	0.4
471.22250	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63257	0.8
59.01095	1.7
59.01384	30.2
59.57977	0.8
61.98826	1.7
63.58847	0.8
64.36824	0.8
71.01387	12.1
71.61907	1.2
72.99294	1.2
73.02951	21.5
75.00858	2.4
76.71152	0.9
83.01396	5.4
83.05032	3.1
85.02960	2.5
87.00859	1.8
89.02457	1.7
97.71075	0.8
101.02445	18.0
103.04007	1.4
106.60161	0.8
113.02468	3.2
119.03515	1.5
121.02963	100.0
122.03300	3.6
127.04028	1.1
131.03514	2.4
133.10860	0.8
135.04529	6.9
138.90504	1.0
143.03517	1.9
145.02998	0.8
147.61632	1.0
156.10214	0.8
160.04056	0.9
161.04573	2.9
162.05540	1.8
163.04008	2.3
163.05989	2.6
193.03835	1.4
205.05118	1.4
205.07092	1.4
279.02631	0.9
286.12741	2.0
309.09915	1.0
329.11380	3.9
330.11591	7.0
362.29099	1.0
423.38925	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	5.7
61.98822	0.4
69.03477	0.3
71.01387	2.2
71.47042	0.2
71.60995	0.4
72.99306	0.7
73.02962	1.4
75.00885	1.3
75.94877	0.2
83.01395	0.4
85.02952	1.0
87.00899	1.3
87.04554	0.4
89.02456	1.5
89.03987	0.3
95.75928	0.3
101.02447	1.6
103.04024	0.5
105.93090	0.3
109.02927	0.4
113.02456	1.1
115.03986	0.4
117.03474	21.6
118.03796	0.9
119.03583	0.4
119.05029	4.0
125.02515	0.3
131.03522	1.0
133.06654	0.5
135.04512	0.4
136.04053	2.2
140.00330	0.3
143.03481	0.6
145.02960	100.0
146.03355	4.7
148.51476	0.3
161.02448	0.7
161.04704	0.5
161.06107	1.6
163.02762	0.3
163.04033	4.2
163.06050	1.4
176.02272	1.2
177.03079	3.4
177.12949	0.4
187.04033	0.6
203.10928	0.3
205.05057	2.6
205.07056	0.6
208.81056	0.3
221.11829	1.0
247.09926	0.3
249.07695	0.3
253.04919	0.3
265.07251	2.0
265.10846	0.5
279.03101	0.3
283.72815	0.3
291.08807	0.5
305.04495	0.3
309.09857	1.6
351.10861	7.3
352.11066	1.0
400.65942	0.3
430.13623	0.3
471.12726	2.9
472.14056	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68351	0.2
56.72477	0.2
59.01097	0.3
59.01387	5.4
61.09338	0.2
61.98799	0.3
69.03411	0.2
71.01387	2.1
72.99303	0.3
73.02947	1.4
75.00869	0.9
83.01388	0.4
85.02952	1.1
87.00889	1.4
87.04520	0.3
89.02471	1.2
95.01418	0.3
101.02435	1.8
103.04025	0.6
113.02445	1.0
115.04054	0.6
117.03477	22.5
118.03845	0.8
119.03561	0.5
119.05035	4.9
125.02551	0.2
131.03488	0.5
133.06624	0.5
136.04062	0.4
139.11081	0.2
143.03500	0.6
145.02963	100.0
146.03305	5.0
161.04832	0.3
161.06071	1.4
163.04034	5.5
163.06102	1.4
187.04031	0.6
205.05048	2.1
205.07082	0.5
229.48857	0.3
235.05966	0.2
247.08252	0.6
249.07704	0.2
265.07169	1.9
287.50922	0.3
291.08917	0.2
309.09787	0.8
312.95895	0.3
351.10870	7.3
352.11230	0.6
402.93307	0.3
471.15134	2.2
472.15503	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61385	1.5
51.74926	1.5
51.93535	1.4
55.17171	1.8
59.01383	31.3
61.98836	5.5
69.55785	4.7
69.56196	6.6
71.01391	14.7
72.99316	3.0
73.02945	15.7
75.00876	6.4
76.19254	1.9
83.01382	3.3
85.02955	2.5
86.65293	1.8
87.00900	2.0
87.39678	1.6
89.02446	5.1
98.20640	3.2
99.00877	1.8
101.02457	19.0
109.03008	2.0
113.02426	4.6
119.03493	1.7
121.02965	100.0
122.03268	3.3
135.04556	8.8
143.03549	1.9
145.02980	1.8
147.04512	2.3
151.37035	1.8
163.04004	3.8
163.06177	2.4
205.07166	2.9
249.05501	1.7
305.04614	5.4
358.78653	1.7
427.07999	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91058	0.5
56.14962	0.5
59.01384	100.0
60.01724	1.1
61.98825	1.0
67.17712	0.6
69.03443	0.6
71.01393	8.0
71.30456	0.7
72.17814	0.5
72.99296	1.0
73.02950	6.3
74.20180	0.6
75.00880	2.4
83.01404	1.6
85.02948	2.9
87.00917	0.5
89.02466	3.2
95.01434	0.7
97.02972	0.8
101.02453	5.8
109.03062	0.6
113.02457	4.4
119.03484	1.3
119.05075	0.9
125.84440	0.5
135.11789	1.2
145.02959	1.3
157.05644	0.5
161.02516	0.9
161.04597	2.3
161.09750	1.1
161.49223	0.5
163.04109	0.6
174.93431	0.5
175.05174	1.2
179.05621	0.6
179.10794	9.9
190.29216	0.5
223.09726	5.6
229.58723	0.6
233.09265	0.8
249.15022	1.2
267.16049	0.8
271.02472	0.8
300.02805	1.0
301.03552	0.9
305.11472	1.1
309.04129	0.7
310.25635	0.5
411.20398	1.5
429.21588	1.5
471.22018	8.7
472.22656	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.7
57.75625	0.5
58.00583	0.5
59.01382	21.2
60.76552	0.5
66.68211	0.5
67.09439	0.5
69.75904	2.4
71.01385	8.5
72.99299	0.9
73.02953	16.8
75.00864	1.5
77.59137	0.4
81.03424	0.6
83.01392	3.9
83.23503	0.5
85.02962	1.9
87.00886	1.0
87.04518	0.7
89.02454	1.7
93.03447	0.5
101.02453	13.8
103.04007	1.2
106.38321	0.6
109.02989	0.6
113.02481	2.4
115.04013	0.8
119.03487	0.8
121.02962	100.0
122.03293	3.7
125.02461	0.7
127.04034	1.1
131.03526	2.4
135.04550	7.3
137.96510	0.5
143.03485	1.9
149.16588	0.5
150.84663	0.5
161.04591	0.9
163.04070	2.9
163.06123	1.3
179.71764	0.6
205.05063	1.7
205.07210	1.6
228.31461	0.5
231.33478	0.5
309.09708	1.5
381.59595	0.5
457.07343	0.5
471.09445	0.6
471.19754	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.151
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46215	1.6
59.01383	100.0
63.75918	1.6
65.80072	1.6
67.47719	1.9
67.56774	1.6
69.49296	14.3
69.49620	3.5
71.01383	12.7
73.02948	7.0
75.00878	6.3
83.01405	3.3
85.02962	3.3
89.02442	3.4
93.17373	1.8
101.02457	8.9
113.02481	3.7
119.03446	2.4
120.04547	2.5
135.11800	5.1
145.02936	2.4
150.05562	2.8
161.04579	3.4
161.09692	2.8
175.05138	3.8
179.10779	34.2
180.11058	2.0
187.07718	2.1
190.04924	1.8
223.09776	17.0
233.09193	5.2
273.07608	2.7
286.04047	4.3
287.04507	2.1
305.11411	8.1
429.21164	3.1
433.10654	3.8
471.22278	6.3
478.30994	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	471.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.8
59.01386	100.0
61.01212	1.6
61.98824	2.3
71.01397	11.0
71.62145	2.5
73.02963	7.7
75.00870	6.1
83.01380	2.4
85.02948	4.2
89.02454	5.6
101.02453	8.1
113.02441	4.1
119.03489	1.7
123.04491	1.5
125.02511	1.6
135.11835	3.3
145.02931	2.7
148.04053	1.9
150.05565	2.9
160.43634	1.7
161.04630	2.6
161.09692	3.1
161.68793	1.6
175.05106	4.4
179.10793	21.5
187.07607	3.6
223.09708	9.1
233.09236	3.3
267.15967	3.1
271.02551	1.7
273.07687	6.0
300.02600	2.9
301.03470	2.1
305.11465	6.7
411.19843	1.8
433.09915	2.5
471.22357	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	470.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35355	0.6
55.61645	0.5
59.01383	13.9
60.92072	0.6
61.98851	3.7
61.99101	0.7
69.56034	4.7
69.56353	1.1
71.01397	4.6
72.99311	0.9
73.02932	2.5
74.03295	0.6
75.00883	5.1
82.02988	3.7
83.01451	0.7
85.02937	1.5
87.24873	0.8
89.02461	3.2
96.96933	0.8
97.02957	0.6
101.02466	3.6
106.06638	3.6
108.04527	0.7
109.02911	0.7
110.02480	0.8
113.02480	2.3
116.62957	0.8
119.05048	1.9
121.02953	0.7
122.06139	2.1
125.02432	1.0
132.04567	7.8
133.05299	1.3
133.24611	0.7
134.06133	13.8
135.04532	2.1
138.05576	1.2
140.07173	2.7
145.02946	1.9
147.04488	1.3
148.04037	0.7
149.04831	0.6
160.04025	9.6
161.02437	1.2
161.04800	13.7
162.05623	38.7
163.05927	1.7
174.05641	0.7
176.03513	1.3
186.05533	2.1
193.03806	25.8
194.04156	2.0
200.07202	2.3
212.07074	1.4
213.08000	1.4
214.08702	1.9
225.61411	0.6
226.08783	0.7
226.12244	0.8
228.10458	0.8
231.14070	0.7
241.06308	1.5
241.09875	0.9
242.11902	2.6
243.11415	2.1
256.12323	0.8
257.09354	4.7
266.14728	0.8
269.09369	2.6
269.12924	1.7
270.11337	0.8
271.10995	1.5
279.02957	0.9
283.10834	1.9
285.12454	27.2
286.12546	3.1
287.14020	1.6
311.10434	3.1
313.11984	1.1
329.11441	100.0
330.11804	9.7
331.13123	1.1
341.81512	0.7
345.10947	2.0
434.17267	0.8
452.18365	2.4
470.18665	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43278	0.4
56.29764	0.4
56.58390	0.4
59.01389	3.9
61.98827	0.7
71.01391	1.0
73.02957	0.7
75.00869	1.2
82.02998	2.4
85.02988	0.5
88.21272	0.4
89.02470	0.5
90.93815	0.5
101.02467	0.9
106.06609	1.2
108.04525	0.5
109.02906	0.4
110.02462	0.7
113.02480	0.7
121.02961	1.2
122.06144	1.2
129.88588	0.3
132.04558	5.4
133.05385	0.9
134.06142	10.1
135.04498	0.7
136.04033	0.8
138.05594	0.7
140.07173	1.0
145.02968	0.6
146.06163	0.7
148.04066	0.4
149.04831	0.7
160.04056	8.4
161.04825	14.4
162.05618	30.7
163.06000	1.7
171.48047	0.4
176.03491	1.4
189.06607	0.6
193.03810	20.9
194.04158	1.3
209.04961	0.4
212.07193	1.1
213.07985	0.8
214.08798	1.9
226.08609	0.9
229.09822	0.5
236.52505	0.5
241.06201	1.7
241.09868	0.5
242.06726	0.5
242.11894	1.7
243.07761	1.3
243.11473	1.5
256.08627	0.5
256.12207	0.5
257.09393	4.8
257.12283	0.6
258.09888	1.1
268.09738	1.4
269.09372	2.4
269.12973	1.3
271.11050	1.9
281.02103	0.4
283.10907	0.5
285.12442	27.1
286.12723	3.0
311.10291	4.2
316.10519	0.7
329.11438	100.0
330.11798	10.6
408.19354	0.6
452.18216	1.8
470.19202	3.4
471.19534	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31583	1.5
55.01883	3.2
57.03448	3.0
58.00585	1.7
58.93346	1.4
59.01382	77.6
61.98822	2.2
69.53482	11.7
71.01385	42.2
72.99309	2.9
73.02950	24.5
75.00887	9.4
83.01396	14.0
83.05067	2.3
85.02959	17.9
87.00877	3.0
89.02464	8.6
93.03492	2.0
95.01434	2.7
99.00891	6.6
101.02448	49.5
109.02902	1.9
111.00864	1.9
113.02448	18.7
119.03503	2.7
119.05020	6.5
120.05310	2.1
123.08188	1.6
125.02464	2.4
135.04515	1.9
140.30812	1.7
143.03535	2.2
149.09650	3.0
159.02991	2.9
161.04520	12.5
181.01447	4.1
185.13313	2.2
203.14476	4.3
247.13383	12.0
263.15009	76.8
264.15372	4.8
265.08273	1.5
265.14594	1.9
301.10504	1.7
409.20807	100.0
410.21069	13.6
469.19937	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73686	1.3
55.01860	1.4
57.03429	4.5
59.01387	72.9
61.98817	2.3
69.03441	2.6
71.01389	39.8
71.61842	1.1
72.99290	2.2
73.02951	37.4
75.00850	4.3
81.03457	2.3
83.01388	13.3
85.02982	7.2
87.00859	4.0
89.02457	9.7
95.01367	1.4
95.05071	1.1
95.97565	1.1
97.02943	2.2
99.00895	2.4
101.02448	32.4
106.93011	1.1
109.06573	1.8
113.02467	10.4
119.03528	2.9
121.02963	2.7
125.02450	24.0
125.09700	4.1
131.03523	1.7
135.04501	1.3
139.03993	1.7
143.03574	1.5
161.02441	1.2
161.04572	3.2
203.17970	3.4
247.17053	17.7
248.17226	1.5
265.18082	22.1
267.19540	1.8
409.22348	9.1
410.22714	1.9
417.72305	1.3
421.26050	1.6
427.23331	18.4
428.23706	2.3
439.26901	1.4
469.24237	100.0
470.24524	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	469.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01725	1.2
61.98822	0.7
65.03949	0.5
67.97322	0.5
69.03465	0.6
69.74743	0.5
70.19036	2.0
71.01372	2.9
73.02968	1.8
75.00883	1.7
81.03472	0.8
83.01413	1.8
85.02977	0.8
85.19691	0.5
91.46488	0.5
95.01398	1.2
97.02982	1.0
99.00874	1.2
99.04578	0.5
101.02476	2.0
102.96712	0.5
109.02989	1.2
111.00903	4.0
112.98856	0.6
113.02456	1.2
113.06067	0.5
119.05036	0.7
120.85221	0.5
121.02956	0.5
125.02488	1.8
127.00421	1.4
135.03070	1.2
135.04491	0.5
142.99884	2.7
145.03012	0.7
153.01971	0.8
154.99832	0.9
167.14409	0.6
173.00960	0.7
187.02515	1.1
209.15488	1.7
215.01996	1.5
221.15460	0.7
227.16447	1.0
247.17110	1.1
251.16591	1.6
263.16467	3.6
264.16830	0.7
265.14490	1.4
295.15527	4.7
307.15536	3.5
308.15707	0.6
323.14694	0.6
327.21872	0.9
337.16516	1.1
351.14883	0.6
397.18597	0.6
441.17786	1.4
469.17212	7.7
469.32251	5.3
470.17746	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29697	0.7
55.01869	2.2
57.03438	2.2
58.00564	1.0
59.01383	76.9
61.98819	2.0
69.03477	1.0
69.71998	3.7
71.01388	35.2
72.99316	2.5
73.02950	16.8
74.02523	0.8
75.00886	4.9
83.01402	6.2
83.05018	1.2
85.02956	14.9
87.00880	3.0
89.02448	11.3
92.18660	0.7
95.01379	2.1
97.03007	0.9
99.00878	3.3
101.02452	26.6
111.00830	1.1
112.01680	5.8
113.02452	13.1
116.05023	0.8
119.03514	2.1
119.05056	2.3
121.02961	1.0
137.09756	1.1
143.03481	2.8
148.04051	0.8
149.04405	0.9
159.02969	0.9
159.04468	0.8
161.04625	8.4
162.05151	1.0
169.10214	0.8
171.38416	0.8
175.05164	1.2
176.05559	1.5
181.12402	0.8
187.11256	1.0
198.04886	1.1
202.08488	0.7
203.08333	2.0
203.14389	4.6
221.15578	1.3
244.09790	2.9
245.10110	3.3
247.13347	2.0
254.84268	0.8
265.14462	3.8
324.47430	0.7
330.65268	0.9
383.20575	4.4
409.18680	9.8
410.18976	0.9
427.19797	14.4
428.19910	2.0
469.20776	100.0
470.21161	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	469.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.5
57.03453	1.8
58.00594	5.1
59.01383	100.0
60.01727	2.4
60.77365	1.1
61.95778	1.1
61.98820	4.1
68.00944	1.2
69.78236	2.3
69.78654	4.8
71.01385	56.9
72.99316	5.3
73.02956	3.3
75.00879	5.5
77.86049	1.2
83.01402	3.8
84.24398	1.4
85.02959	12.0
87.00883	2.3
89.02451	62.5
90.02792	1.4
93.03476	4.2
95.01387	3.6
99.00906	1.7
101.02452	35.2
102.02764	1.5
107.05045	3.0
113.02465	21.9
119.03522	30.4
119.04968	1.5
123.04538	1.5
131.03505	2.3
132.79816	1.2
133.03014	1.2
133.06593	9.5
138.05725	1.1
143.03514	3.0
145.02939	1.3
149.04588	1.7
161.02477	2.0
161.04622	4.4
177.05594	1.6
179.05597	3.1
215.39281	1.2
217.24823	1.4
221.15636	2.0
244.09851	1.2
245.11877	3.4
247.13568	2.2
265.14496	2.0
289.10840	59.5
290.11197	5.5
459.17407	1.2
469.07965	1.2
469.17587	3.4
469.27209	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.2
58.00591	0.2
59.01384	11.7
60.01716	0.2
61.10428	0.1
61.98832	0.4
68.06296	0.2
68.77071	0.1
69.03440	0.2
69.29779	0.3
69.30191	1.2
71.01386	3.5
72.99302	0.6
73.02560	0.2
73.02947	1.6
75.00883	1.1
81.03445	0.2
83.01350	0.3
83.04988	0.2
85.02959	1.6
86.00106	0.2
87.00871	0.8
87.04514	0.2
89.02455	1.3
92.16403	0.2
92.17554	0.2
93.03460	0.7
97.02985	0.3
99.00904	0.3
101.02445	2.6
103.04051	0.5
109.02935	0.3
113.02464	2.0
115.03993	0.4
119.05034	100.0
120.05368	4.6
125.02453	0.4
127.04025	0.2
131.03513	0.7
143.03514	1.1
145.02922	0.3
147.04543	0.2
161.02499	0.3
161.04498	0.9
163.06093	0.3
174.20807	0.2
177.01961	0.2
177.05489	0.2
189.12904	0.3
193.44536	0.2
203.14471	0.2
205.07123	0.7
215.07097	0.2
233.11905	0.2
247.13466	0.6
265.14432	0.4
266.50378	0.1
281.10364	1.8
285.04031	0.2
289.18021	0.3
323.11249	0.3
324.59891	0.2
402.56888	0.2
409.18790	0.3
425.06528	0.3
427.16064	12.8
428.16360	1.9
436.64450	0.2
446.11893	0.2
469.16458	1.3
470.19034	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1005
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56004	2.6
55.01868	4.1
57.03448	4.5
58.70351	2.7
59.01387	11.8
68.99836	14.4
69.47040	11.6
69.47462	7.8
71.01379	36.1
72.99305	16.1
73.02956	5.1
75.00885	19.0
75.02576	5.6
83.01389	29.5
84.99319	4.6
85.01028	9.3
85.02966	7.6
87.00864	9.2
88.98820	2.8
89.02435	3.4
93.03448	5.7
96.96020	3.2
99.00890	30.6
100.98802	4.0
101.02435	4.9
103.00384	4.6
111.00890	39.6
112.98817	85.1
112.99601	4.7
114.98430	5.0
115.00367	12.1
115.02094	4.9
117.01950	10.8
119.05058	5.9
121.01345	2.3
123.04542	6.0
125.02418	3.2
127.00364	4.0
128.03548	72.3
129.01944	15.9
133.02991	6.2
135.04567	3.7
142.99869	16.3
143.01566	6.0
143.03436	3.0
145.01437	88.9
145.03046	9.8
146.35876	2.7
147.04495	5.8
157.01427	6.0
163.03877	2.6
171.01035	11.6
173.00928	20.5
173.04567	2.8
175.03975	8.5
177.05510	5.0
181.05048	4.7
185.67761	2.7
187.02515	6.0
199.00621	3.0
203.03523	19.5
205.03426	4.5
213.02141	2.7
219.01416	2.7
231.03172	10.8
263.05817	60.6
264.06137	3.5
365.09006	5.8
383.44992	2.5
391.06998	3.8
409.08331	4.4
413.39859	3.0
434.56735	2.7
437.07428	4.4
451.09058	8.7
452.09314	2.8
469.10074	100.0
470.10587	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70264	0.4
65.00323	0.7
67.01894	0.6
68.99820	13.9
71.01384	1.7
71.61098	0.7
72.99323	3.0
74.05940	0.4
75.00880	11.6
87.00871	0.7
93.03464	17.4
93.29181	0.4
95.01391	0.9
95.05032	3.5
96.99311	0.6
97.02987	0.5
99.00887	7.6
103.05544	1.4
105.03460	0.8
106.04224	1.2
107.05032	3.8
108.02200	0.7
109.02954	0.8
110.00128	3.0
111.00938	0.5
115.00375	1.1
117.03471	11.0
118.03806	0.5
119.05035	25.7
120.05368	1.3
121.02933	3.5
121.06618	0.9
123.00932	0.5
123.04536	37.1
124.04874	1.3
125.02433	1.4
126.53414	0.4
129.01968	0.7
129.03471	4.4
130.04260	9.2
131.05042	26.2
132.05396	0.9
133.02963	41.0
133.06590	4.8
134.03822	4.8
135.04536	9.8
136.04886	0.8
137.02457	0.4
141.03513	0.5
143.05013	2.9
145.02962	27.9
145.06636	2.0
146.03413	1.5
147.04533	28.5
148.04858	1.1
149.02458	1.7
149.06096	2.6
156.05759	0.6
157.01485	0.7
157.06583	1.3
158.03716	3.8
159.04523	9.2
160.04900	0.8
161.06071	1.8
163.04010	7.4
169.06729	0.6
171.04518	4.4
172.05396	0.5
173.06168	2.2
174.03169	1.2
175.04010	28.3
176.04401	1.8
177.05579	26.9
178.05901	1.5
185.06055	1.5
187.04002	1.4
189.05632	4.1
199.03976	0.8
200.04637	0.6
201.05569	1.6
203.03511	100.0
204.03871	5.7
205.05000	2.2
211.07693	0.5
213.05650	0.7
215.03448	1.0
215.06902	0.4
216.04289	1.0
217.05081	5.4
218.05345	0.7
221.04506	2.3
223.05640	0.7
223.07664	9.1
224.07976	0.6
225.09077	0.5
229.05043	1.2
237.09186	0.6
239.04327	0.5
241.91614	0.5
243.06577	0.6
245.04408	0.7
248.46048	0.5
249.09293	1.0
261.09222	1.2
265.08624	1.2
275.10788	0.8
276.08014	1.4
277.08636	4.2
279.10382	2.6
281.08148	0.8
293.08270	1.1
295.09729	1.3
305.08188	3.8
306.08557	0.6
319.09750	0.6
323.09268	4.1
339.08731	1.2
406.38715	0.4
426.01251	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52856	0.4
59.01375	1.0
61.98836	100.0
65.00341	0.8
71.01389	1.2
72.99345	0.5
75.00876	5.4
77.34489	0.4
78.89917	0.4
83.01390	1.1
85.02995	0.4
93.03470	0.6
96.72809	0.3
100.63023	0.4
107.01433	0.6
109.02956	1.6
117.03496	0.8
119.05047	0.7
125.02470	1.3
126.02880	0.4
130.04259	1.2
131.05133	1.9
132.05344	1.8
133.02969	1.8
134.03442	0.7
134.34503	0.3
135.04544	4.9
136.04889	2.8
138.05626	1.3
141.03467	0.6
142.03833	0.5
143.05057	1.2
144.05403	0.7
145.02983	3.3
146.03322	1.7
151.00423	1.1
153.01941	0.8
154.02345	0.6
155.05154	0.5
158.03778	1.8
159.04529	39.6
160.04865	28.7
161.02461	6.0
161.05045	1.1
162.02773	2.5
163.04073	0.5
172.05205	0.4
173.06137	0.7
177.05551	0.4
177.20592	0.4
182.88396	0.4
183.04506	1.2
184.04909	0.8
201.05574	14.7
202.05922	12.9
203.03549	0.6
203.06200	0.8
221.04610	0.7
222.04749	0.4
237.04036	0.5
238.04419	0.6
240.07762	0.5
245.02377	0.3
245.04555	23.3
246.04895	24.8
247.05074	1.8
263.03525	0.7
306.08597	0.6
322.11664	0.5
335.02145	1.2
348.09589	0.5
349.11951	0.4
392.08908	0.6
408.22089	0.4
424.11636	0.5
432.15228	0.5
468.08588	2.4
469.09671	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66095	1.8
59.01100	1.9
59.01385	31.7
61.78339	1.5
61.98833	100.0
69.03484	1.8
71.01382	4.1
75.00862	3.7
77.79088	1.8
85.02948	1.5
107.56339	1.7
119.05064	2.3
125.02483	1.9
149.10905	1.6
173.09171	1.8
181.12546	1.7
191.61386	1.7
223.13464	10.0
240.54311	1.7
246.57027	2.1
279.00009	1.8
282.36246	1.8
295.16745	2.2
301.57489	1.7
319.21448	2.4
361.65234	1.9
469.25314	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	468.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54148	0.5
59.01384	24.0
60.01712	2.6
60.11415	0.5
61.01812	1.6
61.98835	100.0
69.64536	3.1
71.01396	2.0
71.84963	0.4
72.16302	0.5
73.02959	0.7
75.00887	1.9
85.02922	0.6
89.02471	2.6
96.01691	0.4
98.19831	0.4
101.02469	1.2
113.02472	0.6
119.03528	0.6
119.05016	0.6
135.04561	1.1
145.03027	1.2
159.04561	4.5
160.04070	3.1
160.05147	1.0
161.02423	1.0
161.04666	0.5
177.05583	1.2
179.05774	0.6
201.05687	1.0
202.05945	1.3
206.52722	0.5
221.04521	0.6
245.04671	2.5
246.05006	2.2
340.81888	0.6
347.39462	0.5
408.23251	1.8
468.08759	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93068	0.5
55.92417	0.5
56.28331	0.6
59.01385	12.2
60.01717	1.5
61.01813	2.0
61.98837	100.0
69.81982	1.2
69.82390	1.9
71.01389	0.8
75.00888	3.4
89.02460	1.2
98.19957	1.0
102.14100	0.6
103.15043	0.6
109.02995	0.8
113.02446	0.6
119.05082	0.5
133.02953	0.9
135.04564	0.9
138.02020	1.8
142.53557	0.6
145.02945	1.1
159.04524	5.1
160.04869	3.4
161.02478	2.0
176.03511	2.9
201.05627	2.1
202.05975	1.6
203.03485	0.6
205.72864	0.7
245.04608	1.9
246.04916	2.5
261.29810	0.7
281.13666	0.5
325.98901	0.6
408.22360	0.9
468.08899	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64925	0.3
59.01382	2.3
69.54345	1.7
71.01390	0.9
72.99319	0.3
73.02956	0.3
75.00874	1.1
77.66843	0.2
82.03430	0.2
82.87673	0.3
85.02945	0.4
87.00873	0.3
90.87106	0.2
94.83855	0.2
96.96007	1.0
98.20617	0.4
98.95600	1.0
99.92587	13.6
100.92624	0.8
100.93365	1.6
101.02429	0.4
103.00396	0.6
111.00907	0.4
114.94923	0.3
115.92085	23.9
116.92863	100.0
117.92876	5.6
119.05016	3.3
120.05356	0.4
128.99323	0.2
129.29173	0.2
135.04535	0.4
135.41171	0.2
140.92838	0.9
142.94385	2.3
145.02948	0.3
156.92357	0.6
158.93974	0.5
159.04443	0.3
169.93158	0.3
170.93854	0.3
174.93362	0.6
184.91823	1.3
184.95512	0.3
185.92619	0.2
186.93494	0.4
186.95380	0.2
196.95486	0.4
203.03473	0.3
218.72408	0.3
222.78738	0.3
224.94893	0.4
234.97075	1.9
242.96043	0.9
243.96774	0.3
263.00168	0.3
284.97208	0.5
285.97797	0.3
293.04550	0.3
294.05264	0.7
303.21918	0.4
304.22141	0.7
329.96539	0.3
345.00821	0.8
347.01816	0.3
363.01849	2.4
364.02142	0.8
381.02844	2.5
382.03116	0.7
391.11887	0.7
393.02945	0.5
405.02744	1.5
423.03979	2.9
424.04199	0.6
431.00742	1.7
466.27423	5.3
466.33777	0.5
467.02908	6.8
467.21545	0.4
467.27594	2.5
468.02917	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36287	1.1
59.01095	1.9
59.01381	28.2
61.98835	100.0
65.11925	1.1
67.66262	1.3
70.36111	1.0
71.01364	3.9
71.61839	1.3
72.34986	1.2
73.02958	1.7
74.22459	1.1
75.00885	2.6
80.56013	1.0
85.02951	1.4
96.95972	1.2
101.02449	4.7
109.02931	1.1
112.81548	1.1
113.02457	1.9
119.59824	1.3
130.45807	1.3
319.21124	2.8
331.20184	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.5
57.03453	0.7
58.00584	0.9
59.01382	25.4
71.01385	9.3
71.61582	0.8
72.99311	0.8
73.02956	2.8
75.00874	5.0
78.95899	3.6
79.95722	1.4
83.01392	1.7
85.02962	5.6
87.00903	1.4
89.02442	1.1
96.96017	42.7
96.96928	5.2
97.93125	1.3
99.00883	1.5
101.02457	6.6
111.00860	0.6
113.02458	3.0
113.09743	1.2
113.92623	0.8
114.93404	7.7
119.05032	35.9
120.05372	1.8
125.02483	0.8
129.01909	0.6
129.09224	1.1
135.04556	0.7
143.10738	0.7
145.02919	0.7
157.08659	0.8
161.02402	0.5
174.03215	0.9
217.89624	0.5
279.02939	0.7
285.20746	2.3
301.20044	1.1
303.21799	13.0
304.22000	1.3
371.14694	0.7
389.16010	1.0
405.25162	1.2
447.26071	4.5
448.26337	0.7
465.27026	100.0
466.27393	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28555	0.7
54.26293	0.5
59.01382	19.2
61.98835	100.0
69.83997	3.4
71.01392	1.1
73.02964	0.7
75.00867	1.5
85.02950	0.7
101.02418	1.1
113.02452	0.9
130.91243	0.5
139.04155	0.9
142.72650	0.7
201.11444	0.7
317.19821	1.6
346.23538	0.6
466.33032	0.6
467.30176	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.5
57.03453	0.7
58.00584	0.9
59.01382	25.4
71.01385	9.3
71.61582	0.8
72.99311	0.8
73.02956	2.8
75.00874	5.0
78.95899	3.6
79.95722	1.4
83.01392	1.7
85.02962	5.6
87.00903	1.4
89.02442	1.1
96.96017	42.7
96.96928	5.2
97.93125	1.3
99.00883	1.5
101.02457	6.6
111.00860	0.6
113.02458	3.0
113.09743	1.2
113.92623	0.8
114.93404	7.7
119.05032	35.9
120.05372	1.8
125.02483	0.8
129.01909	0.6
129.09224	1.1
135.04556	0.7
143.10738	0.7
145.02919	0.7
157.08659	0.8
161.02402	0.5
174.03215	0.9
217.89624	0.5
279.02939	0.7
285.20746	2.3
301.20044	1.1
303.21799	13.0
304.22000	1.3
371.14694	0.7
389.16010	1.0
405.25162	1.2
447.26071	4.5
448.26337	0.7
465.27026	100.0
466.27393	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.5
57.03453	0.7
58.00584	0.9
59.01382	25.4
71.01385	9.3
71.61582	0.8
72.99311	0.8
73.02956	2.8
75.00874	5.0
78.95899	3.6
79.95722	1.4
83.01392	1.7
85.02962	5.6
87.00903	1.4
89.02442	1.1
96.96017	42.7
96.96928	5.2
97.93125	1.3
99.00883	1.5
101.02457	6.6
111.00860	0.6
113.02458	3.0
113.09743	1.2
113.92623	0.8
114.93404	7.7
119.05032	35.9
120.05372	1.8
125.02483	0.8
129.01909	0.6
129.09224	1.1
135.04556	0.7
143.10738	0.7
145.02919	0.7
157.08659	0.8
161.02402	0.5
174.03215	0.9
217.89624	0.5
279.02939	0.7
285.20746	2.3
301.20044	1.1
303.21799	13.0
304.22000	1.3
371.14694	0.7
389.16010	1.0
405.25162	1.2
447.26071	4.5
448.26337	0.7
465.27026	100.0
466.27393	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77225	0.2
59.01377	0.7
61.90183	0.2
62.74660	0.2
69.36407	2.0
71.01399	0.3
75.00904	0.3
75.38721	0.2
78.95896	0.3
83.17481	0.2
87.81801	0.2
91.04018	0.3
105.03461	0.5
106.04222	0.2
107.05067	0.3
117.03472	1.4
121.02988	0.8
123.04490	0.3
132.02179	0.7
133.02963	25.2
134.03773	5.8
135.04533	14.4
136.04834	0.7
137.02454	3.6
139.04001	1.2
141.68498	0.2
148.05305	0.6
149.02380	0.3
160.01691	0.6
161.02444	100.0
162.02783	5.5
178.02762	0.4
179.03496	4.9
183.17558	0.6
197.00371	0.3
229.18077	8.7
230.18462	0.6
235.06165	0.5
260.81351	0.2
303.15994	0.3
305.21216	6.4
306.21570	0.9
329.21478	0.5
331.19519	0.2
345.20673	0.3
347.22690	0.2
373.20187	45.8
374.20480	5.7
374.25140	0.3
384.06946	0.2
390.21228	0.3
391.21262	15.8
392.21606	2.2
424.44150	0.3
465.24915	68.1
466.25287	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	465.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.4
60.40027	0.8
61.98832	3.7
62.96407	1.8
68.11703	0.9
70.53709	0.8
71.08992	1.4
73.86378	0.8
75.00892	1.4
78.95924	2.3
91.04017	1.0
95.05036	1.9
105.03477	10.4
121.02934	1.2
123.04531	1.5
131.71796	0.9
132.02168	5.6
133.02965	47.4
134.03802	6.9
135.04564	4.3
137.02440	4.9
147.04425	1.6
148.05319	5.2
149.02472	1.1
149.06075	1.0
158.07393	0.9
160.01668	26.1
160.05180	0.9
161.02467	23.2
161.06017	4.2
162.02911	1.5
175.04016	63.5
176.04326	3.0
177.01941	3.8
178.02780	4.1
179.03537	2.9
193.05058	3.3
194.02200	1.0
197.00446	2.4
204.11572	1.8
215.16531	9.2
233.08266	1.3
242.30130	1.0
247.09631	1.7
260.17844	1.3
261.11368	2.4
266.42627	0.9
275.12823	1.4
279.03033	1.0
289.14581	4.9
291.19733	1.8
303.15982	2.0
305.21149	1.1
359.18677	16.4
360.19104	1.1
365.37253	0.9
373.16623	0.5
373.20197	19.7
374.20526	2.6
377.19589	4.8
391.21289	47.8
392.21530	5.1
412.16028	1.0
419.20349	1.0
438.42410	0.9
450.22693	3.8
465.12354	2.5
465.24936	100.0
466.25330	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	465.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53732	0.4
59.01384	100.0
60.01717	1.2
65.63105	0.5
70.73907	1.3
71.01384	5.4
72.99336	0.5
75.54179	0.4
89.02444	9.9
98.20528	0.6
101.02443	4.4
109.07141	0.4
113.02454	3.2
119.03518	5.5
125.02478	0.6
131.03540	0.5
143.03519	1.1
161.04587	1.7
179.05632	4.0
266.06357	0.4
321.20712	0.5
382.99664	0.5
405.21347	3.3
406.21991	0.7
465.23578	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01722	1.1
66.59389	0.6
69.60527	2.6
69.60941	1.4
71.01377	6.5
75.39023	0.6
85.02982	1.0
89.02448	9.3
98.19817	1.0
101.02454	4.6
103.64435	0.6
113.02473	3.4
119.03500	3.8
129.34520	0.6
131.03471	0.8
143.03516	0.8
153.09265	0.9
155.04779	0.6
159.26045	0.7
161.04565	2.8
179.05663	3.7
194.24353	0.6
275.15945	0.5
307.61389	0.6
322.85178	0.7
405.21274	13.9
405.26151	0.9
406.21909	1.4
465.23819	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	465.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60752	0.2
59.01383	1.0
69.75552	1.0
69.75965	0.4
89.02420	0.3
91.04039	0.6
105.03487	0.3
117.03487	1.4
121.02943	0.7
123.04533	0.4
129.89500	0.3
132.02180	1.0
133.02966	24.5
134.03801	6.5
135.04535	15.1
136.04863	0.8
137.02448	3.6
139.04021	0.8
148.05357	0.6
149.02585	0.2
150.03242	0.4
160.01678	0.4
161.02455	100.0
162.02794	5.2
168.57629	0.3
178.02727	0.8
179.03503	5.1
180.03882	0.3
183.17587	0.5
229.18102	9.6
230.18410	0.4
235.06113	0.7
305.21246	5.4
306.21545	0.9
329.21204	0.8
373.20206	44.0
374.15863	0.3
374.20532	5.7
391.21268	15.9
392.21509	1.7
454.34219	0.3
465.24936	67.3
466.25256	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	465.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.0
59.01385	100.0
60.01730	1.1
70.76648	0.7
71.01392	11.5
71.60687	1.1
72.99310	1.1
75.00883	8.2
85.02960	2.2
89.02454	21.7
93.03470	1.4
95.01405	0.8
101.02461	7.6
104.18959	0.7
109.02969	0.8
113.02492	5.3
117.03445	3.6
119.03529	8.8
119.05027	14.9
121.02994	1.7
123.04526	1.5
124.01173	0.7
125.02496	0.7
131.05061	1.9
131.18150	0.6
132.05870	1.5
133.06612	2.0
134.03729	0.7
135.04533	1.4
143.03532	1.8
145.02971	28.7
146.03320	1.5
147.04523	4.9
159.04536	1.0
161.04599	2.8
163.04002	10.0
168.80318	0.9
175.04008	5.6
177.05588	3.8
179.05638	6.5
185.02202	22.0
186.02574	1.0
199.03773	3.4
221.04572	8.2
243.02759	30.5
244.03189	1.9
259.06250	2.5
261.03641	0.7
279.40121	0.7
289.40182	0.7
303.05222	0.8
319.04266	1.5
356.57736	0.8
405.21320	15.6
406.21594	1.4
449.20523	1.0
465.10251	1.2
465.23514	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76962	0.5
55.01879	2.0
57.03468	2.5
58.00599	0.9
59.01383	100.0
60.01725	1.5
70.38709	1.9
71.01386	28.5
72.01720	0.5
72.99311	1.3
73.02950	10.0
75.00882	1.2
78.95903	0.6
81.03464	1.2
83.01389	6.4
85.02957	16.9
87.00882	2.2
89.02441	4.8
90.75654	0.5
95.01384	2.7
97.02967	2.9
99.00893	6.1
101.01780	1.0
101.02450	19.8
102.02771	0.7
109.02982	1.7
111.00864	2.4
113.02456	22.2
125.02452	3.2
127.03992	0.7
129.01958	1.1
131.03531	2.4
137.02496	1.0
143.03519	5.3
159.03012	1.2
161.04564	6.4
167.03412	0.7
181.28557	0.5
191.05795	0.7
215.05664	1.9
237.58102	0.5
245.06599	1.2
245.58148	0.5
273.17181	1.0
289.86292	0.6
291.18155	33.5
292.18542	2.5
333.19373	2.2
405.21320	3.7
406.21271	0.8
423.22372	21.4
424.22787	2.5
444.22830	0.6
465.23264	4.7
466.23996	0.7
490.03806	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.0
57.03453	0.9
59.01385	100.0
60.01712	0.7
65.83401	0.6
69.03485	0.6
69.46209	3.6
71.01392	10.4
71.01765	0.8
72.99318	0.7
73.02946	4.4
75.00874	2.9
81.03489	0.7
83.01374	3.5
85.02955	9.2
87.00886	5.9
89.02464	1.6
95.01416	1.5
97.02996	1.0
99.00896	2.7
101.02454	8.0
107.05086	0.6
108.02116	0.6
109.02908	0.7
111.00923	1.5
113.02454	8.2
123.04590	1.2
125.02488	1.8
125.06120	2.0
138.05643	0.6
139.04019	0.6
141.05591	0.8
143.03528	1.1
153.05605	0.8
161.04547	3.3
165.21184	0.5
169.05121	0.6
261.11261	0.6
291.18164	10.1
331.17737	2.1
383.66943	0.5
405.21329	8.5
406.21719	0.7
423.22388	14.5
423.27927	0.8
424.22861	1.0
465.27048	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	465.104
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22318	0.6
53.74155	0.6
59.01384	29.6
59.24300	0.6
60.01749	0.7
61.98838	1.2
63.06007	0.6
69.47256	5.2
71.01385	8.2
72.99308	1.6
73.02940	1.6
75.00879	17.4
81.03462	0.9
83.01406	0.9
85.02969	3.7
87.00849	0.7
89.02451	4.1
95.01361	1.0
98.19872	1.2
101.02454	5.3
105.03448	0.7
108.02192	1.8
109.02960	44.0
110.03323	1.3
111.00925	0.9
113.02466	3.5
119.03532	3.1
119.05051	1.4
121.02952	1.1
122.03746	1.7
123.04533	100.0
124.01638	1.0
124.04862	3.5
133.03046	0.8
135.00900	0.6
135.04552	2.1
143.03534	0.8
143.90819	0.7
145.02983	2.7
149.02414	1.4
151.00389	1.1
151.03992	1.9
152.01198	2.2
153.01949	71.1
154.02284	2.8
161.02490	2.2
161.04552	1.5
163.04077	0.9
167.03502	1.6
177.01913	1.6
177.05589	0.8
179.05684	1.3
195.02959	1.8
215.03516	1.0
237.04074	1.2
243.16121	1.2
279.02917	4.3
280.03375	1.3
285.09860	2.8
297.06155	53.9
298.06476	3.9
394.31894	0.7
403.04376	0.7
405.21359	6.7
406.21765	0.8
421.11426	52.3
422.11847	5.3
465.10361	13.1
465.23126	1.1
466.10577	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	23.1
61.98817	1.6
62.59112	0.5
65.70054	0.5
69.62092	3.1
69.62513	0.7
71.01389	7.2
72.99322	0.7
73.02927	1.6
75.00452	0.8
75.00877	15.2
76.19766	0.6
83.01378	0.9
85.02947	1.9
89.02446	3.1
89.60226	0.5
91.01899	1.3
95.01385	1.0
96.99337	0.9
99.00889	0.7
101.02447	3.8
107.01398	1.0
108.02172	1.5
109.02955	42.7
110.03281	1.5
111.00859	1.1
113.02458	3.8
119.03554	1.2
119.05045	1.3
121.02983	1.1
122.03749	1.9
123.00902	1.8
123.04528	100.0
124.01662	0.7
124.04865	2.9
125.02490	0.8
128.35307	0.5
131.03580	0.6
133.02954	0.7
133.75775	0.6
135.00897	0.7
135.04539	1.8
137.02441	1.3
145.02957	2.1
147.04514	0.7
149.02357	1.1
149.32999	0.5
151.00415	1.8
151.04013	1.8
152.01189	2.7
153.01941	69.3
154.02347	2.0
161.02437	2.3
161.04556	2.1
163.04037	1.0
167.03445	1.1
177.01949	1.7
179.05707	1.0
193.04977	0.6
195.02992	2.0
207.03133	0.5
207.41138	0.7
209.43855	0.5
215.03531	0.7
217.65863	0.5
237.04076	1.0
243.16214	0.7
262.79446	0.6
279.02890	5.6
280.03357	1.1
285.09857	3.5
297.06152	54.9
298.06586	3.3
360.17017	0.5
398.54697	0.5
405.21265	4.5
421.11407	54.8
422.11719	6.5
447.09381	0.7
465.10370	13.1
466.11011	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.3
59.01385	53.3
60.01713	1.1
61.98835	100.0
71.01387	9.3
71.62485	1.0
72.99330	0.9
73.02929	4.2
74.02488	0.7
74.89170	0.6
75.00880	8.6
78.95875	0.9
83.01396	1.9
85.02939	4.8
87.00861	0.9
87.04508	0.9
89.02465	1.8
95.01383	0.9
97.06606	0.8
99.00912	1.9
100.00417	0.8
101.02453	7.0
103.04117	0.7
109.02912	1.0
113.02470	4.4
122.90011	0.7
125.02499	1.5
131.03654	0.8
135.04512	3.6
143.03526	1.4
145.03020	1.3
148.05367	2.1
151.00369	1.1
159.04660	0.7
161.02487	1.9
161.04613	1.7
163.04063	2.0
169.98035	0.6
171.13976	1.3
213.09264	0.9
229.06241	1.2
255.03024	1.6
256.03598	0.9
279.03030	1.1
280.61514	0.7
283.02567	0.8
284.03278	1.5
285.03961	1.3
291.18314	1.9
301.03268	3.0
302.03860	1.2
363.58176	0.8
364.08447	1.2
365.11554	2.9
401.21762	5.9
423.22437	6.9
464.09515	1.8
464.25394	1.2
464.31161	1.4
465.32327	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	465.104
Annotation	6-C-Glucopyranosyldihydroquercetin
Peak:m/z	Relative Intensity
59.01382	47.4
61.98824	5.2
66.45506	1.1
67.22942	1.2
68.48589	1.2
71.01388	17.2
71.34592	2.6
73.02940	5.1
75.00885	10.5
83.01379	2.6
84.09659	1.1
85.02954	9.5
89.02452	5.7
91.01887	1.7
95.01399	3.2
96.99402	1.1
101.02448	13.3
107.01352	1.4
108.02203	4.9
109.02957	64.4
110.03300	1.8
111.00863	2.3
113.02439	9.3
115.53841	1.1
119.03498	2.7
121.02971	3.2
122.03741	17.5
123.00890	3.5
123.04536	23.7
124.01661	2.6
125.02447	2.3
135.04510	5.1
137.02414	4.6
149.02429	4.0
151.65797	1.5
152.01189	5.7
153.01947	100.0
154.02296	2.7
161.04597	6.8
163.04053	1.7
179.03510	1.4
179.05618	1.3
195.02959	2.5
225.04121	1.8
243.16124	2.3
259.06116	2.4
262.85345	1.1
279.02859	1.7
297.06143	26.6
405.21356	15.0
406.21390	2.1
406.54559	1.3
421.11407	68.8
422.11752	7.2
447.09317	23.3
448.09503	3.3
465.10370	53.4
465.23508	1.7
466.10522	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	464.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38336	0.6
59.01383	27.2
61.98836	100.0
69.27744	7.1
71.01384	5.3
73.02959	3.0
75.00880	3.2
78.95904	1.3
80.65524	0.7
83.01403	2.0
85.02990	1.3
89.02470	3.0
101.02449	3.9
104.05106	0.9
113.02481	2.5
119.03522	1.3
130.40765	0.6
143.03574	0.9
148.04092	3.1
152.99596	0.7
161.04601	1.4
166.12582	0.6
211.07721	0.8
239.20262	0.9
241.13512	0.9
279.06116	0.7
283.19223	2.2
284.19638	2.2
301.03198	1.1
311.10690	0.8
379.69263	0.8
399.73499	0.7
416.16483	2.0
434.17169	0.9
464.09668	1.4
464.20258	0.9
464.26239	3.7
464.31818	0.9
465.32629	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37770	0.9
55.45949	0.8
59.01383	45.2
59.44815	1.0
60.01702	1.1
61.98833	100.0
62.59069	0.9
71.01381	6.5
71.61712	1.5
73.02940	2.7
75.00868	7.1
85.02955	1.6
89.02444	2.0
101.02444	4.5
113.02455	3.2
135.04469	1.2
145.02954	1.3
148.05359	2.1
150.85947	1.0
159.85371	1.2
161.04524	1.1
162.67998	0.9
164.64310	1.0
175.03949	1.2
226.15585	1.0
226.17900	1.1
279.03021	1.7
300.02722	1.4
301.03232	2.7
302.03839	1.0
383.20807	1.4
405.18927	1.9
464.18106	2.1
464.30777	1.3
465.32611	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	464.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.1
59.01385	35.1
61.98837	100.0
67.68355	0.6
69.29197	6.4
71.01379	5.1
73.02957	2.4
74.61041	0.6
75.00880	2.1
78.95912	6.1
83.01413	1.7
85.02963	3.6
85.09251	0.6
87.00929	0.7
89.02429	1.2
96.15405	0.6
101.02466	4.4
109.06612	1.2
113.02457	4.2
121.93163	0.7
125.02467	0.8
135.04555	1.9
143.03569	1.0
161.04572	0.9
171.01636	0.8
264.02411	0.7
291.18307	2.3
301.03351	0.8
315.18262	2.7
327.25443	0.8
357.19492	0.9
379.28589	1.0
380.29114	0.7
405.21954	0.9
418.30685	1.1
423.22693	1.7
463.30844	4.7
464.25632	0.8
464.31409	5.3
465.14639	1.8
470.12473	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	23.9
61.98833	100.0
71.01367	2.9
73.02974	1.1
75.00883	1.1
78.89729	0.5
78.95933	0.5
79.08271	0.6
85.02975	1.4
85.61332	0.5
89.02451	0.7
93.31675	0.5
101.02460	1.7
113.02441	1.0
123.49030	0.6
155.07848	0.5
161.04547	0.5
291.18335	1.0
301.03104	0.6
315.18127	2.0
383.20752	1.6
405.19061	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3431
Annotation	Certonardosterol B2
Peak:m/z	Relative Intensity
59.01398	1.3
61.98835	0.7
70.04047	3.2
95.05025	1.5
98.19942	1.0
105.20000	0.7
121.02965	3.2
122.03753	3.9
123.04541	2.0
123.08250	1.0
133.06648	0.7
135.04535	2.9
136.05305	19.1
137.06180	0.9
145.02957	3.2
150.03236	1.4
151.07654	48.2
152.07990	2.2
161.06082	0.8
163.04028	1.2
164.04787	4.6
165.05528	1.2
173.58630	0.7
177.01927	1.8
178.06401	1.7
179.07143	19.8
180.07489	1.1
191.03381	0.8
214.94302	0.7
227.07181	1.4
241.04964	1.3
242.05864	1.0
247.94812	0.7
255.06657	18.2
256.07324	6.3
267.06686	1.6
269.08249	2.2
271.02472	1.0
300.02768	1.6
301.03534	1.8
394.18036	1.0
435.34302	0.7
445.33347	2.0
458.15088	0.7
463.08746	2.0
463.24869	22.2
463.34317	100.0
464.25354	3.8
464.34644	17.3
471.59799	0.8
479.63593	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60915	0.4
59.01371	1.2
87.41394	0.4
91.04010	0.7
117.03471	19.5
119.05029	10.4
120.28957	0.4
121.02934	2.1
123.04528	0.6
133.03050	0.6
133.64453	0.4
145.02957	100.0
146.03300	4.0
163.03996	5.3
175.43973	0.5
178.91084	0.4
185.81071	0.4
189.52986	0.4
191.87784	0.4
197.19177	0.6
243.19658	8.1
303.23303	4.9
304.23642	0.7
327.23425	0.8
371.22272	24.4
372.22620	3.1
389.23328	19.8
390.23605	2.3
463.27005	38.3
464.27353	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	463.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.7
61.25161	0.2
69.39986	1.2
71.01400	0.2
89.02456	0.7
91.04009	0.8
93.03493	0.2
98.20626	0.3
117.03475	19.2
118.03819	0.6
119.05032	9.3
120.05399	0.2
120.73731	0.2
121.02956	2.6
123.04536	0.6
124.31377	0.2
132.05795	0.3
133.02971	0.7
145.02960	100.0
146.03296	4.7
156.05785	0.3
162.03252	0.3
163.04015	5.3
164.04330	0.3
190.74100	0.1
197.19080	0.4
197.33398	0.2
225.18524	0.2
241.18114	0.2
243.19647	7.8
244.19920	0.8
253.07542	0.2
299.23849	0.2
300.02866	0.3
301.03317	0.3
303.23328	5.2
304.23666	0.3
327.23398	1.3
328.23639	0.2
371.22266	27.4
372.22614	3.8
389.23337	19.0
390.23703	2.3
396.16672	0.2
463.27026	36.3
464.27359	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	463.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.1
57.03455	2.6
59.01387	100.0
60.01700	0.9
64.04647	0.8
68.99561	1.0
70.83472	2.0
70.83842	1.6
71.00996	1.4
71.01388	28.6
72.99342	1.4
73.02953	10.4
75.00880	5.7
77.73477	0.9
83.01398	5.2
85.02959	17.7
87.00916	2.6
89.02453	6.4
95.01410	1.6
97.02972	2.0
99.00883	6.4
101.02457	17.2
109.02937	1.0
111.00864	1.0
112.98616	1.8
113.02468	15.7
120.08197	6.7
121.02968	1.0
125.02491	2.2
127.11281	1.4
131.03487	1.1
135.04524	1.3
136.07719	3.8
143.03508	2.3
145.02945	1.7
151.33440	1.0
159.02980	1.0
161.04556	8.7
178.05109	1.7
181.58655	0.9
209.11838	1.0
215.05534	1.2
255.03014	4.0
257.16437	1.0
259.19199	1.0
271.02505	3.8
285.04019	2.7
289.13608	2.1
289.16568	16.8
290.16791	1.4
300.02780	9.1
301.03494	3.8
301.15619	15.8
302.15790	1.5
331.17664	2.5
347.06921	0.9
403.19284	1.8
403.23825	1.6
421.20398	12.3
422.21222	1.8
463.08661	5.8
463.26102	19.7
463.32281	2.1
464.25696	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	463.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
57.03452	1.2
58.00599	0.5
59.01387	31.4
64.17641	0.4
67.95125	0.4
69.03454	0.8
71.01393	15.7
71.05056	0.4
71.40854	0.9
72.99313	2.0
73.02951	3.7
75.00883	5.1
76.18635	0.5
77.69566	0.4
83.01401	3.1
85.02953	5.3
87.00888	3.0
89.02439	2.3
90.86314	0.4
91.90672	0.4
95.01379	1.4
96.96015	9.0
97.02972	0.9
99.00878	1.5
99.08157	1.1
100.76604	0.5
101.02454	7.1
106.88937	0.4
107.01425	0.6
109.02951	0.9
111.00861	0.9
111.08242	0.5
113.02457	3.7
113.09726	1.2
117.03410	0.5
119.03525	0.8
119.05048	1.6
124.01662	0.9
125.02467	3.1
128.73949	0.4
135.04546	1.5
143.10796	0.5
145.02962	4.5
151.00412	1.1
153.01915	0.5
159.04533	0.6
161.02489	1.2
163.04089	1.2
172.05222	0.5
175.03976	0.6
178.99870	0.8
183.23613	0.4
187.03992	0.6
187.07611	1.5
213.18636	1.3
215.07156	0.7
221.04576	0.7
226.06918	0.5
227.03516	1.8
241.18062	4.4
243.03043	1.3
255.03000	4.4
256.03519	0.5
257.04483	0.6
257.08310	1.6
257.17566	0.6
259.19153	28.3
260.19424	2.7
271.02469	6.4
271.19250	1.3
273.20706	0.6
275.09558	0.6
283.19135	0.7
284.03329	2.4
285.04016	3.1
289.88867	0.5
299.99356	0.8
300.02765	8.6
300.99966	0.7
301.03424	4.8
301.20197	1.1
331.45566	0.6
352.08755	0.7
385.22217	0.8
389.21646	0.8
403.23386	17.4
404.23904	2.2
421.24475	39.8
422.24869	5.4
445.24731	0.6
463.09113	6.0
463.25540	100.0
464.08792	1.0
464.25873	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	463.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.2
57.03467	1.1
58.00593	1.4
59.01382	100.0
60.01717	1.2
61.98839	0.6
69.03468	0.6
69.46266	1.2
69.46674	1.8
69.74035	0.4
71.01385	26.3
72.99316	1.7
73.02953	8.6
75.00883	2.5
81.03481	0.6
83.01392	4.6
85.02950	8.5
87.00882	2.1
89.02448	20.9
92.27733	0.4
95.01410	1.7
97.02950	0.9
98.20656	0.9
99.00887	2.5
101.02450	18.1
102.02789	0.6
109.02950	0.7
111.00903	0.5
113.02452	11.8
114.02848	0.5
119.03506	7.7
125.02489	2.0
127.03983	0.5
131.03506	5.6
135.04570	0.6
136.96359	0.4
137.02499	0.5
143.03543	3.8
145.03024	1.0
148.05298	0.7
149.04556	5.6
151.00427	0.7
155.03542	0.6
161.02493	0.6
161.04562	4.2
179.05621	4.5
183.05049	0.4
191.05608	5.5
203.05659	0.7
229.18077	1.0
233.06747	1.7
237.61716	0.5
243.03023	0.5
255.03114	1.9
259.19388	0.6
271.02438	2.8
284.03220	0.5
285.04211	0.7
289.16559	3.3
300.02792	3.8
301.03528	4.4
301.20456	1.3
302.03934	0.6
331.17709	0.6
368.51080	0.4
391.23599	1.0
403.19394	0.7
403.27673	0.7
421.20602	9.4
422.11423	0.5
422.21298	1.5
441.45200	0.5
463.08951	4.7
463.25833	12.6
463.31232	1.1
464.09338	0.5
464.25977	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79183	0.6
59.01372	1.5
62.96396	1.0
63.94725	0.5
78.95900	6.3
80.25650	0.6
96.96003	0.9
98.19896	1.2
109.73275	0.6
115.45703	0.6
149.00101	33.2
151.00340	0.9
151.76070	0.7
162.99982	0.7
184.62354	0.7
194.98866	100.0
195.99199	2.6
199.53282	0.6
207.32529	0.6
255.02986	1.0
271.02652	2.9
296.24484	0.6
299.99075	1.8
300.02798	5.3
301.00092	1.2
301.03522	2.7
463.11200	61.6
464.11404	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	463.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	14.3
61.98833	0.8
70.49522	1.4
70.49912	1.4
71.01393	5.0
72.99303	1.5
73.02948	2.1
75.00883	10.8
76.83010	0.7
85.02942	2.9
87.00868	2.4
89.02442	2.7
93.03442	1.1
95.01383	1.1
96.95982	0.7
98.19985	0.9
99.64331	0.7
101.02443	4.7
106.42157	0.7
109.02952	1.8
112.03991	0.7
113.02449	2.5
119.03549	1.0
119.05040	0.9
121.02953	1.0
123.04503	1.4
125.02470	1.1
135.04498	2.6
151.04034	0.7
153.27396	0.8
161.02464	1.2
161.04582	3.3
161.05765	0.8
162.02835	0.7
167.03474	2.4
168.03845	1.4
169.03957	0.9
172.08728	1.6
187.07666	1.4
198.06735	10.5
200.08347	1.0
214.09862	2.2
227.03400	0.8
241.07315	65.9
241.14374	1.8
242.07870	21.1
242.61189	0.7
243.08781	8.3
255.02974	2.6
256.09741	2.4
257.04333	0.7
257.10507	4.1
269.10599	0.9
271.02429	3.0
285.09958	7.6
286.10318	1.0
299.08823	1.1
299.11725	1.9
300.02689	4.6
301.03525	3.2
311.11511	2.9
353.12424	2.3
358.12741	1.2
373.14133	1.1
376.14020	2.9
377.14636	6.4
390.06729	0.9
401.14621	5.5
403.19675	6.7
419.15726	100.0
420.15994	11.7
463.08377	5.0
463.12512	0.9
463.14651	1.3
463.21951	2.1
464.22583	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	31.6
61.98847	2.1
63.02391	1.5
65.00308	1.6
68.99799	1.9
69.39668	1.4
69.65179	5.3
69.65606	4.2
70.60508	1.5
71.01382	6.2
72.99313	3.2
73.02948	1.8
75.00880	49.8
83.01398	2.3
89.02473	1.7
93.03455	2.3
95.01414	2.0
98.20591	2.7
101.02430	3.9
107.01370	1.9
109.02962	10.3
110.00097	4.6
111.00900	22.2
113.02476	1.5
119.05021	4.1
121.02962	3.4
135.04503	6.6
137.02512	1.8
137.99580	1.7
139.00392	7.7
140.69275	1.4
143.04599	3.3
149.02441	2.9
151.00360	7.2
157.06595	1.4
159.04510	3.7
161.02451	5.8
163.00401	2.0
163.19066	1.5
164.01137	6.8
165.99013	6.4
166.99812	4.7
171.04466	2.2
172.05289	2.4
175.03983	2.2
178.99860	4.4
183.04523	2.9
185.06046	5.9
186.03300	1.9
187.04024	2.6
187.07642	48.5
188.07973	2.2
194.99301	2.4
198.06915	2.7
199.04027	5.3
201.01889	9.3
203.03506	6.2
206.99200	1.7
211.04031	1.9
213.09213	18.5
214.09721	1.9
215.03340	1.6
224.04802	2.5
225.05615	1.8
227.03470	7.1
227.10704	2.4
229.12323	5.7
231.02979	6.3
237.09146	3.7
239.07155	19.0
240.07758	3.5
241.14520	2.1
242.02061	2.5
243.02921	5.8
255.03128	8.0
255.10245	9.9
257.08154	5.6
270.01544	3.2
271.02496	85.5
272.02899	8.5
273.11404	2.6
283.06073	6.9
287.02036	9.4
299.02002	100.0
299.09232	71.5
300.02438	12.3
300.09543	10.2
301.03470	3.0
301.07144	3.4
316.02213	30.6
317.02963	27.0
317.10303	6.0
318.03403	2.7
343.08231	5.4
359.07550	2.3
403.19553	2.1
419.19272	3.5
421.20410	2.0
463.08707	33.0
463.14645	2.5
463.21460	7.6
464.09122	5.4
464.16473	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72972	1.0
51.58850	1.0
55.01886	2.4
57.03445	2.7
58.00602	1.8
59.01382	67.4
61.98839	1.8
69.38376	4.2
69.38803	5.9
71.01389	29.4
72.99316	5.1
73.02962	10.0
74.59886	1.1
75.00877	74.8
76.01181	1.1
83.01392	4.2
85.02962	11.4
87.00889	1.5
89.02445	18.0
93.03448	2.4
95.01408	1.7
99.00896	7.7
101.02451	21.5
109.02952	9.3
111.00891	23.4
113.02471	10.0
119.03485	3.9
119.04930	1.6
121.02951	2.3
122.88776	1.2
125.02440	2.9
131.03497	2.4
135.04530	3.5
143.03445	2.2
149.04568	6.4
149.06062	1.4
151.00401	2.8
159.03033	1.4
159.04549	2.2
161.02425	3.7
161.04578	12.6
165.02002	1.3
166.47174	1.1
172.05267	3.2
179.05704	2.4
185.06085	5.3
187.04051	2.2
187.07648	59.2
188.07979	4.5
195.08139	1.3
197.06075	2.1
198.06830	3.0
198.64223	1.3
201.05608	3.0
201.09119	1.5
207.64838	1.2
211.04074	2.0
211.07523	1.5
212.08449	1.7
213.09201	25.8
214.09618	2.7
224.04738	2.7
225.05649	2.7
227.10727	3.4
227.12872	2.2
229.12315	9.4
233.06693	1.8
236.08334	1.5
237.05542	3.5
237.09280	6.2
239.07152	28.2
240.07617	4.8
243.03006	2.1
255.10277	12.7
257.08167	2.5
271.02527	6.0
273.11343	7.2
281.08215	3.1
283.06158	2.9
287.09323	1.6
299.09283	100.0
300.02737	8.6
300.09598	11.1
301.03589	8.4
301.06656	2.2
317.10217	11.6
318.10764	1.7
319.17667	2.1
331.17545	6.2
343.08264	7.1
361.09402	4.7
361.18579	4.1
375.10959	1.7
385.18683	4.5
403.19577	9.0
419.09970	3.9
430.77243	1.4
463.08688	11.8
463.15546	1.9
463.21793	38.1
464.09119	2.0
464.22220	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57192	0.8
56.75541	0.8
65.00320	0.8
66.05219	0.6
66.37087	0.6
69.28537	6.7
69.28855	1.1
70.33375	0.6
74.30982	0.8
81.89078	0.7
83.01395	0.7
95.05328	0.7
107.01400	2.0
109.02956	0.9
121.02956	1.5
128.37030	0.9
132.33597	0.7
135.00935	0.9
148.01685	0.9
151.00407	7.7
152.00766	0.7
163.00328	1.5
170.86894	0.6
172.12946	0.7
178.99866	4.2
199.03958	0.8
211.04034	1.0
226.02686	2.0
227.03510	2.5
243.02939	7.5
244.03276	0.9
245.04599	1.2
254.02260	2.6
255.02962	20.8
256.03293	1.2
271.02490	46.2
272.02884	6.1
273.04007	0.9
283.02371	0.7
291.05646	0.6
300.02774	100.0
301.03485	53.3
302.03937	4.8
383.05548	0.8
387.51126	0.7
463.08823	79.7
464.09186	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	462.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.8
59.01381	9.7
60.01717	1.4
61.01804	0.9
61.98833	100.0
69.33175	6.9
71.01387	4.3
72.01734	0.7
73.02942	0.7
80.71797	0.6
83.01405	1.5
85.02939	0.8
87.00907	1.6
89.02466	1.1
92.15794	1.0
101.02475	1.9
113.22556	0.7
119.04973	0.6
125.02452	1.7
127.16604	0.8
128.29092	0.7
134.97606	0.7
135.04514	0.8
151.00369	0.8
151.04056	1.1
161.02455	0.8
162.47774	0.7
255.02919	1.4
257.21222	3.5
258.21512	7.0
271.02454	3.1
286.19211	0.8
300.02740	5.3
301.03464	2.8
311.26093	1.8
319.19351	1.1
320.11343	1.5
321.12067	0.7
399.29126	0.9
401.25467	1.2
402.25830	4.1
419.26480	1.3
420.26874	14.1
421.27078	1.1
445.29694	1.3
461.27310	0.8
462.27908	35.9
463.09161	3.8
463.22699	1.0
463.29761	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	463.0882
Annotation	Robinetin 7-glucoside
Peak:m/z	Relative Intensity
57.03445	1.6
59.01385	33.0
61.98817	2.1
63.02394	2.1
65.00333	2.7
65.15612	0.8
71.01385	7.9
71.61375	1.1
72.99311	1.5
73.02959	2.4
75.00884	9.1
79.90369	0.8
83.01392	3.1
83.05032	0.8
85.02951	3.6
87.00875	1.6
89.02464	5.4
91.42997	0.7
93.03453	2.3
95.01373	2.1
101.02452	5.3
106.04237	1.3
107.01411	6.5
108.02180	2.8
109.02956	24.8
109.06584	0.9
110.00105	0.8
110.03287	1.2
111.00868	1.7
113.02447	3.0
119.03505	1.3
119.05025	2.3
120.99641	1.5
121.02954	2.4
123.00886	2.3
123.96220	0.8
124.01662	3.8
125.02459	1.5
125.09725	0.9
127.07645	3.0
131.03477	0.9
133.02946	1.0
135.00880	1.7
135.04535	1.4
137.02458	2.4
139.00385	1.2
145.02945	2.9
146.03642	1.1
147.00931	1.2
147.04536	0.9
149.02487	0.9
149.99512	0.9
151.00378	16.9
152.01173	6.9
152.03529	1.3
153.01953	31.4
154.02330	1.7
158.03723	1.0
161.02414	3.3
161.04541	1.8
163.00365	3.5
163.03992	1.6
164.01167	3.9
165.09200	13.4
165.10481	1.3
169.01453	0.9
171.04494	1.9
174.03302	0.9
175.03996	1.7
175.46446	0.7
178.99886	11.3
179.03401	0.9
183.04482	1.9
186.03145	0.8
187.04060	2.5
187.07610	0.9
187.09833	1.9
188.33633	0.8
189.01930	2.0
192.00652	1.4
199.04004	3.1
200.04767	0.8
201.01909	1.9
201.05435	1.0
203.03555	1.6
209.11873	7.1
211.04051	1.0
214.02727	2.1
215.03441	3.2
216.04256	1.5
217.05029	1.3
219.02834	0.8
221.00676	0.7
226.02756	2.0
227.03487	7.2
227.12959	2.0
229.01552	1.1
241.01518	4.3
241.14455	1.8
242.02254	3.9
243.02982	11.8
244.03763	4.6
245.00856	3.0
245.04485	3.3
253.09288	1.8
254.02193	2.3
255.03009	16.9
256.03360	2.8
257.12885	0.9
259.02509	1.6
259.15390	1.1
270.01700	6.6
271.02478	60.4
272.03128	16.4
273.03983	5.6
281.04294	1.0
283.02380	1.2
283.15439	1.3
285.04257	1.0
287.01944	3.0
297.06216	8.8
298.01096	4.5
299.01974	41.5
300.02734	56.1
301.03500	25.7
301.16660	7.5
302.03842	2.2
309.04077	1.0
316.02225	17.9
317.02960	15.5
318.03519	1.1
323.01923	1.4
341.03128	2.2
416.06406	0.9
419.09854	1.5
445.07697	6.1
445.24683	1.1
446.08411	1.4
463.08804	100.0
463.16013	41.1
463.24313	7.6
463.29752	4.9
464.09116	12.6
464.16260	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	462.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39363	2.6
57.03452	9.8
59.01384	79.0
61.98837	80.2
71.01384	19.3
72.00900	3.5
73.02956	7.5
75.00874	7.9
83.01391	3.5
85.02972	10.4
89.02431	4.9
96.35239	2.8
97.34460	2.7
100.00414	9.8
100.55486	2.9
101.02438	16.8
113.02470	6.2
116.05063	6.5
135.04527	4.2
142.06650	19.1
143.06956	7.1
161.04562	6.9
172.05313	9.5
173.05772	7.0
173.90382	3.0
174.06508	3.3
179.14348	4.4
181.55927	3.0
186.05489	4.1
187.06055	5.7
187.07632	51.4
188.07994	47.1
189.08186	3.5
195.17526	7.1
201.05540	9.5
202.06291	17.1
203.06680	9.9
203.08383	4.0
204.08400	4.2
207.97887	3.0
211.17061	6.1
216.07431	6.1
229.06157	15.3
229.50951	3.7
230.06456	14.6
231.10373	18.9
232.10629	24.7
235.17000	6.8
237.18666	25.5
239.16490	9.1
242.08199	3.3
243.08536	3.4
257.17477	4.3
271.02454	9.1
281.17575	25.6
299.99258	3.4
300.02698	10.0
301.03485	4.5
317.19644	13.3
325.16583	43.2
326.17065	6.4
374.15765	13.6
380.98935	3.1
399.20285	100.0
400.16489	16.5
400.21396	5.5
418.14862	30.3
419.14914	3.1
462.16882	4.8
462.27997	3.3
463.25623	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42856	0.9
56.86412	0.8
59.01097	1.6
59.01380	25.9
61.98830	5.0
69.03419	1.7
71.01386	15.0
71.03533	2.1
72.99305	1.9
73.02951	3.6
75.00883	3.2
83.01401	3.1
85.02950	5.5
87.00883	3.6
89.02456	2.4
95.01397	1.3
97.02955	1.7
100.88425	0.9
101.02464	6.3
101.47089	0.9
111.00897	1.1
113.02444	3.8
116.05073	1.8
123.00822	1.0
125.02447	2.7
130.06546	1.4
133.02989	1.7
134.03670	1.8
135.04523	3.3
147.04565	1.6
148.05307	5.2
150.03204	2.1
157.07727	3.2
159.04530	1.1
161.02464	6.8
162.05591	1.7
163.03986	1.3
176.03497	2.5
187.17525	1.0
190.05119	7.2
202.05077	1.4
204.06606	2.4
207.10207	1.6
207.78264	0.9
211.13315	1.8
211.20715	1.6
225.11325	2.5
239.20232	2.2
257.21213	26.7
258.21497	2.5
271.22855	0.9
276.10300	1.6
277.11087	2.9
283.13358	1.0
299.22440	1.0
319.10828	8.3
320.11578	4.5
363.09799	1.2
383.11948	1.1
391.75787	1.1
401.25482	16.8
402.25534	3.0
419.26508	41.8
420.26871	5.3
461.27579	100.0
462.27814	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	461.2911
Annotation	Verbacine
Peak:m/z	Relative Intensity
51.52594	0.5
55.01893	0.7
57.03452	4.9
59.01093	0.9
59.01381	17.1
61.98825	1.0
69.03447	0.8
71.01385	2.4
71.05042	2.3
71.22208	1.1
72.00921	1.7
72.99326	0.5
73.02943	1.6
74.02477	1.0
75.00887	1.9
76.66908	0.5
79.05553	0.5
81.97834	0.5
83.01414	1.0
83.05015	1.5
85.02955	0.6
87.00887	0.8
89.02475	0.6
95.05038	1.1
97.06599	2.2
99.04515	2.3
100.00430	2.4
101.02452	1.8
107.05027	0.7
109.02972	0.5
109.06586	0.8
111.04537	1.2
111.08164	3.8
113.02464	1.0
116.05067	3.6
119.05014	0.6
121.02965	1.2
122.03777	2.6
123.04556	3.8
130.06619	0.9
135.04535	49.6
136.05128	1.8
142.06628	8.8
145.02966	1.0
151.07660	0.7
151.11244	0.7
153.09311	0.6
158.03697	0.9
159.04521	2.0
159.09296	1.5
161.02444	1.4
161.04526	0.5
161.68690	0.5
167.14406	0.7
172.05347	3.7
173.06093	1.7
183.13751	0.4
186.05606	2.8
187.04021	2.1
187.07654	28.1
188.08051	1.9
189.05621	1.2
193.15929	0.5
195.17528	2.3
197.06229	0.6
199.03979	0.7
201.05605	4.0
202.06367	7.4
203.06593	0.8
203.08270	3.0
203.10689	0.5
204.04344	1.1
207.10245	1.3
213.09210	1.2
215.07103	3.0
223.13478	2.4
224.13687	1.9
225.11345	1.4
225.13995	1.4
227.03607	0.8
228.04185	0.7
229.06181	8.0
229.08458	0.7
230.08220	1.5
231.10268	13.0
232.10605	1.2
235.20728	1.1
242.08157	2.7
244.09773	0.6
253.09323	1.0
254.09792	0.8
255.09732	1.0
256.09763	0.8
257.08252	1.4
261.22290	1.3
279.23282	15.1
280.23715	1.7
288.08884	0.7
291.23529	0.5
325.23859	24.5
326.23969	2.7
369.12354	2.1
371.29749	0.5
373.15619	5.4
373.27625	0.7
374.15842	0.9
397.27335	2.6
399.17148	10.2
400.17667	1.3
401.25760	0.8
415.28595	11.2
416.28952	1.7
417.14484	10.9
417.28369	1.5
418.14914	1.5
443.16165	1.4
461.29132	100.0
462.29477	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	461.2183
Annotation	Pulchelloid D
Peak:m/z	Relative Intensity
53.40451	0.7
54.88546	0.6
57.03450	16.2
57.45152	0.6
59.01387	5.1
65.00326	1.4
69.03497	0.9
69.90175	3.1
71.01377	1.9
72.69971	0.6
75.00876	1.1
81.03461	28.6
83.01393	5.7
93.03476	1.4
95.01375	3.3
97.02976	1.0
97.06554	0.7
101.02456	0.8
106.04227	0.8
109.02953	4.8
116.05065	1.8
119.05087	0.7
121.02968	1.8
121.06597	1.5
122.03716	1.0
123.04527	9.5
125.02456	100.0
126.02785	4.4
130.06602	1.9
133.02951	1.6
134.03712	2.0
135.04553	5.5
137.02463	3.1
147.04535	1.8
148.05299	2.6
150.03192	1.5
151.00363	1.4
157.07718	2.9
161.02463	5.8
162.03195	0.8
162.05603	2.5
163.00371	1.4
165.05588	1.5
167.03484	2.5
176.03561	1.0
178.05095	0.9
181.01451	3.1
190.05096	5.4
202.04955	0.8
204.06647	3.2
207.17508	5.3
209.15434	2.0
231.17554	1.5
247.20715	3.1
249.18617	3.4
257.21204	2.1
273.18723	1.9
276.10419	1.5
277.11020	2.0
279.16086	1.3
285.18692	0.9
289.21854	2.8
291.19681	8.8
292.20126	1.4
313.21759	1.7
315.19589	1.1
317.17615	10.6
318.17960	0.9
319.10855	7.9
320.11511	3.0
331.19266	1.3
331.22672	4.5
333.20721	1.6
335.18640	65.2
336.19046	6.9
355.19116	1.9
357.20679	1.6
373.20007	0.9
373.23837	3.4
373.31186	1.6
375.21786	4.0
399.17761	1.9
399.21948	2.2
401.20163	0.7
401.25504	2.4
403.17551	2.0
417.22925	17.2
418.23248	2.5
419.26678	3.4
443.21179	8.6
461.22482	14.1
461.28009	4.0
462.22247	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.1
57.03445	1.6
58.49417	0.9
59.01384	37.8
61.98817	1.9
71.01389	14.4
71.05054	1.4
72.99308	1.5
73.02950	5.7
75.00878	2.2
83.01392	4.1
85.02961	7.2
87.00896	5.0
89.02454	2.6
95.01400	1.5
97.02993	1.2
99.00868	1.8
101.02450	9.9
109.03002	1.1
111.00897	2.0
113.02465	5.0
116.05053	1.3
119.03497	1.3
121.02963	1.7
124.01638	1.0
125.02447	3.1
130.06618	1.1
134.03737	1.1
135.04494	3.9
137.02527	1.1
143.03502	0.9
145.02989	1.4
147.04568	1.4
148.05305	2.4
157.07703	2.1
161.02454	4.4
162.05637	1.9
176.03648	1.3
190.05089	4.6
197.09747	1.4
204.06627	2.9
207.10139	1.2
211.20692	2.8
214.98653	1.0
225.11281	2.6
226.11278	1.0
239.20224	3.6
257.21234	39.9
258.21481	2.3
276.10239	2.4
277.10995	2.0
299.22327	1.3
313.22650	0.9
319.10928	6.0
358.61328	0.9
401.25470	22.4
402.25873	1.8
419.26526	56.0
420.26892	10.7
461.27563	100.0
462.27963	13.7
484.55978	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57029	0.5
58.00591	0.6
59.01385	100.0
60.01713	2.2
60.25035	0.5
61.01811	1.7
61.98851	1.3
69.43207	4.0
71.01384	5.6
71.42594	0.4
72.01727	0.5
72.99339	0.5
73.02953	4.8
73.31501	0.5
75.00903	0.7
83.01405	1.3
85.02971	1.8
87.00933	0.5
89.02439	2.8
92.99445	0.5
97.06606	0.7
101.02454	6.6
103.46233	0.4
113.02456	2.2
119.03521	1.1
119.05035	2.3
131.03525	0.6
143.03455	0.9
149.04628	0.8
153.12857	11.6
154.13197	0.7
161.04616	1.4
163.06190	0.8
179.10779	3.9
182.49023	0.6
197.11838	20.4
198.12231	1.1
205.07248	1.0
207.10255	0.9
212.33487	0.5
213.05634	1.5
225.11305	0.6
239.16606	1.6
255.06685	0.5
257.17688	1.4
316.49835	0.6
319.11002	0.5
328.97028	0.5
344.77213	0.6
415.10916	0.5
419.22592	0.8
461.24188	3.9
461.31186	2.1
486.68188	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.7
59.01384	10.7
61.32185	0.6
61.98830	4.3
69.78625	4.1
71.01379	2.1
72.00890	3.6
73.02953	0.7
73.44406	0.7
74.02473	1.0
75.00874	2.3
85.02943	0.8
87.00889	0.8
89.02466	1.1
97.06561	0.7
98.19898	1.0
100.00404	9.1
101.02448	1.3
111.26445	0.7
113.02509	0.8
116.05067	9.6
119.04986	1.0
123.08205	0.7
130.06631	3.6
135.04526	1.0
136.60443	0.7
142.06622	25.4
143.07002	1.2
151.07640	1.2
154.88385	0.8
157.07686	1.6
158.03743	2.9
159.04497	4.3
159.09254	3.3
161.02469	0.9
161.04558	0.8
172.05307	13.5
173.06073	6.2
175.04042	1.1
183.04509	0.8
185.07280	1.2
186.03148	0.8
186.05597	10.6
186.07120	0.7
187.04231	4.1
187.07649	100.0
188.04758	0.9
188.08018	7.1
189.05548	2.9
195.17450	0.7
199.03999	1.5
200.04791	1.7
201.05579	11.3
202.06377	24.5
203.06711	1.3
203.08296	6.9
203.10785	1.1
204.04243	2.7
212.07173	0.8
213.09233	2.0
215.07185	7.4
216.07872	1.6
225.11234	1.1
227.03474	1.8
228.04494	1.3
228.06546	1.7
229.06183	29.2
229.08278	1.0
230.06279	1.3
230.06984	0.8
230.08257	4.6
231.10281	37.6
232.10600	2.8
235.16982	0.9
237.18631	1.6
242.08241	9.0
244.09827	2.9
256.09830	1.3
257.08240	5.2
278.68591	0.7
281.17612	2.5
288.08795	1.0
325.16556	2.1
343.10867	0.9
355.14459	2.3
361.68542	0.7
369.12433	2.9
373.15601	21.0
373.20258	1.0
374.15955	2.8
399.16650	19.4
400.17352	4.2
417.14532	36.8
418.14850	5.4
418.65994	0.8
423.62598	0.8
443.16211	2.1
444.16309	0.9
461.17041	3.3
461.29068	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44271	0.9
53.03971	0.6
55.01879	1.0
57.03458	5.9
58.00595	0.7
59.01385	39.2
59.51384	0.8
60.01718	1.0
61.98821	2.3
62.09335	0.7
69.03458	1.9
69.63792	3.7
69.64200	1.7
71.01404	5.4
71.05023	2.2
72.00921	3.9
72.99311	1.0
73.02949	2.9
73.24455	0.8
74.02475	2.9
75.00883	4.4
79.51319	0.8
83.01378	1.4
83.05029	1.4
85.02953	2.1
87.00890	1.0
88.91961	0.7
89.02454	2.6
95.05051	1.1
97.06593	2.7
98.19872	1.5
99.04496	2.5
100.00410	8.1
101.02449	3.1
109.02970	1.8
109.06662	0.7
111.08171	5.3
113.02438	2.6
116.05068	11.5
117.05377	0.8
121.02978	2.0
122.03731	2.5
123.04512	3.5
123.08109	1.2
125.02508	1.1
130.06609	2.6
135.04536	43.1
136.04895	1.6
137.06026	0.9
137.09654	0.9
139.07703	0.9
142.06630	24.7
143.07013	0.8
145.02968	0.8
146.03790	1.3
146.52214	0.7
151.07697	1.2
151.11256	1.0
157.07710	2.2
158.03734	2.6
159.04536	4.5
159.09276	4.0
161.02412	2.6
161.04581	1.0
163.11299	0.9
167.14288	0.9
172.05310	12.0
173.06084	4.8
174.06821	0.7
175.03972	1.4
175.07608	0.9
186.03239	1.0
186.05605	12.1
187.04172	4.6
187.07655	97.2
188.08017	6.7
189.05588	3.7
189.07245	0.8
195.17548	2.5
197.06160	0.8
199.04073	1.1
200.04802	1.6
201.05557	8.6
201.09265	1.2
202.06352	22.0
203.06815	1.4
203.08281	8.9
203.10739	1.2
204.04221	3.6
206.74147	0.8
207.10283	1.8
211.13422	2.5
212.07103	1.2
213.09219	3.0
214.08638	0.8
215.07214	6.6
216.07750	2.3
225.11391	2.8
227.03557	1.7
228.04298	0.8
228.06699	1.8
229.06180	26.3
229.08484	0.9
230.06302	1.7
230.08458	4.3
231.10277	43.1
232.10573	2.9
235.20773	1.3
242.08240	11.6
244.09801	2.9
256.09717	2.1
257.08203	5.5
272.71765	0.7
279.23300	13.5
288.08884	1.2
325.23846	26.2
326.24210	1.9
329.19589	0.9
331.22635	1.0
343.11017	0.8
355.14703	1.0
369.12225	5.2
373.15619	19.8
373.27829	0.7
374.15909	2.6
397.27393	3.2
399.17157	31.8
400.17545	5.2
401.21130	1.0
401.25723	1.1
415.28604	8.9
416.29025	1.7
417.14545	33.1
417.28717	1.6
418.14914	5.2
443.16278	4.0
461.17514	4.2
461.29129	100.0
462.17520	1.0
462.29529	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	461.1093
Annotation	LMPK12111174
Peak:m/z	Relative Intensity
59.01379	14.8
69.80650	3.4
71.01385	3.3
73.02952	1.8
75.00880	3.7
83.01374	1.3
85.02960	1.5
87.00900	1.2
89.02432	1.4
95.01381	0.7
98.20512	1.0
99.04495	0.7
99.64135	0.6
101.02445	2.8
107.01403	1.0
109.02940	1.3
109.06597	1.4
111.00864	0.8
113.02461	2.1
119.03503	0.8
119.05031	0.8
120.43822	0.6
123.08184	0.9
125.02483	1.0
125.09770	0.8
135.04543	13.1
135.08147	1.3
145.02937	1.0
151.00359	2.7
153.09212	2.5
161.02512	1.8
163.04074	1.3
171.04518	0.9
178.99777	1.1
187.03859	0.7
197.54045	0.6
199.04045	5.1
201.01945	2.0
203.03574	1.4
207.10248	1.2
215.03461	4.5
217.10817	7.3
225.02037	0.7
226.02567	1.2
227.03534	6.0
239.16649	0.9
241.01602	0.8
242.02182	10.7
243.02982	48.6
244.03372	4.0
254.02217	0.9
255.02997	4.6
256.03564	0.9
257.04581	12.5
258.04889	1.4
269.98837	1.2
270.01688	14.3
271.02481	51.3
272.02841	4.9
283.02240	0.8
285.04059	22.8
286.04742	9.6
299.01984	14.6
300.02744	18.2
301.03180	2.3
314.04330	58.7
315.05057	38.1
315.08817	1.2
316.05432	2.1
357.06128	1.7
391.00552	0.7
401.22012	1.1
419.22678	1.9
443.26581	1.6
461.10880	100.0
461.22894	7.7
461.31253	2.6
462.11209	14.2
462.24429	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1318
Annotation	Saccharumoside C
Peak:m/z	Relative Intensity
57.03445	0.9
59.01384	4.6
61.98829	0.6
65.00321	0.5
69.55280	0.9
69.55682	1.8
71.01387	1.5
72.99316	0.4
73.02953	0.5
75.00883	5.9
75.01303	0.6
81.03465	4.7
83.01381	2.9
85.02958	0.7
89.02430	0.9
93.03467	0.8
95.01377	0.3
95.05028	1.1
97.02950	0.9
99.04567	0.4
101.02451	0.4
105.21426	0.4
107.01416	0.6
109.02974	2.0
117.03474	0.5
119.05032	0.6
121.02946	1.3
123.04535	34.8
124.04871	0.8
125.02455	6.8
131.01384	0.5
133.02966	1.6
135.04538	5.8
137.02458	0.9
145.02977	0.5
147.04520	0.6
149.02434	1.2
149.06110	0.4
151.00389	1.2
151.04039	1.2
161.02458	14.8
162.02785	1.1
163.04027	1.5
166.02710	0.4
167.03506	100.0
168.03860	4.8
175.00316	1.6
175.03984	0.4
179.03528	1.6
181.05087	1.6
191.03513	19.3
192.03885	1.0
193.04976	0.5
205.01390	0.5
209.04547	5.5
210.04930	0.4
219.03052	1.0
221.04599	0.8
223.07811	0.4
226.06322	1.6
227.07133	3.2
227.49916	0.4
233.04576	1.3
237.04012	5.0
238.04286	0.5
255.06702	1.5
272.64401	0.3
299.02313	0.4
299.05624	0.9
299.09113	0.6
309.07983	0.5
423.76212	0.4
461.13037	37.6
462.13422	4.9
488.60507	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1093
Annotation	Parkinsonin A
Peak:m/z	Relative Intensity
59.01092	0.9
59.01381	13.8
61.01829	0.5
69.90118	0.5
70.06271	0.4
71.01388	5.2
71.61184	0.6
71.61521	0.5
73.02948	1.3
75.00880	14.0
81.03462	0.6
83.01429	0.9
85.02959	1.8
87.00861	0.6
89.02429	1.0
91.01901	0.8
93.03470	1.4
95.01389	0.9
96.99294	0.5
101.02457	3.3
105.01923	0.5
107.01402	0.7
108.02206	1.5
109.02962	42.3
110.03304	2.0
111.00882	1.7
113.02478	2.3
117.03456	0.9
119.05036	100.0
120.05382	4.1
122.10445	0.5
123.00895	1.5
123.04558	0.6
124.01662	0.8
125.02472	0.8
133.06572	0.5
135.00838	0.8
135.04530	2.1
137.02449	0.7
145.02927	1.3
151.03986	0.6
152.01189	2.4
153.01947	72.6
154.02289	3.0
161.02483	2.4
161.04599	0.7
163.04028	31.9
164.04375	2.0
177.01978	1.8
179.03549	1.8
189.37288	0.5
195.02951	2.6
207.02922	0.5
219.67299	0.4
223.07668	1.3
225.04082	1.4
235.25040	0.5
237.04083	1.8
239.10847	0.5
241.01445	1.2
242.02364	0.5
248.54832	0.6
255.05202	1.2
256.03693	0.6
257.08234	0.5
263.12912	0.8
265.08591	0.9
270.01736	0.9
271.02429	1.6
297.06168	49.6
298.01248	0.7
298.06561	4.8
299.01962	2.2
299.05664	0.6
299.09277	1.0
300.02670	0.7
301.03262	0.6
309.07666	0.9
343.08554	0.6
417.12000	7.7
418.12131	0.6
443.09927	1.2
447.40714	0.5
461.10977	75.0
461.28336	3.1
462.11365	10.0
482.71533	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1104
Annotation	Rumejaposide A
Peak:m/z	Relative Intensity
50.40036	1.0
55.02267	0.9
59.01099	1.7
59.01385	33.7
60.01704	2.0
61.01806	1.6
69.47904	6.9
71.01367	3.8
71.01720	0.9
73.02953	2.5
75.00879	45.5
76.01230	1.2
84.30096	0.9
85.02956	2.6
87.00836	0.9
89.02479	1.7
93.03457	1.6
98.19939	2.4
100.37772	1.1
101.02452	2.2
108.02177	5.3
109.02975	11.4
110.03255	2.4
111.00885	1.4
111.04530	1.0
113.02463	2.3
119.04993	2.2
121.02973	4.4
122.03732	3.8
123.04539	11.2
132.02144	1.5
133.02034	1.6
133.02971	23.8
133.03978	1.1
135.04530	14.8
137.02440	2.7
145.02959	3.9
147.04523	4.8
148.04950	1.9
149.02441	3.7
149.05008	1.7
153.01828	1.0
157.02916	1.1
158.03525	1.0
159.04575	5.3
160.04927	1.3
161.02455	100.0
162.02841	5.1
167.03462	6.1
174.03024	1.0
175.04022	5.8
176.04553	1.1
177.05556	1.8
179.03517	7.2
187.06525	1.0
203.03485	11.0
204.03882	1.8
211.07599	1.4
223.07716	4.9
225.11292	2.2
229.01436	5.4
230.01784	4.0
231.01982	4.3
239.10806	1.5
250.06110	1.2
265.08640	2.4
266.05612	1.4
267.06775	5.0
268.06973	2.1
269.07288	4.6
270.08765	1.3
271.08893	2.2
277.05032	2.3
278.05219	1.1
279.05719	3.4
285.04211	1.1
285.07727	1.9
293.03683	1.1
293.06747	17.6
295.06137	5.3
296.06479	3.0
297.06693	9.0
299.09222	2.5
309.07596	4.1
327.08524	1.1
339.05179	6.2
340.05420	5.1
341.05664	22.8
342.05795	1.4
343.08130	1.6
385.09256	3.1
414.76605	1.0
417.12039	15.5
418.12183	1.7
443.09888	12.9
444.10318	1.1
461.10925	38.7
461.17987	1.9
461.20197	1.6
462.11255	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05832	0.9
59.01382	36.8
60.01706	3.5
61.01799	2.9
62.35188	0.9
63.37548	1.2
71.01385	4.7
74.40257	0.9
75.00879	41.9
85.02943	1.4
89.02468	1.3
93.03465	2.3
101.02460	1.6
108.02179	5.9
109.02954	11.2
110.03283	2.1
111.00887	2.2
111.90081	1.1
113.02457	2.9
117.03467	1.8
119.05019	2.2
121.02966	2.6
122.03777	5.9
123.04530	15.3
133.02965	27.5
134.03300	1.1
135.04544	13.9
136.04886	1.0
137.02455	3.7
145.02989	3.9
147.04550	6.4
148.04863	1.9
149.02434	3.7
149.06137	1.3
154.28337	1.0
157.02931	2.0
159.04520	5.7
159.30725	1.0
160.04820	2.4
160.93256	1.0
161.02452	100.0
162.02794	5.0
163.04025	2.0
167.03545	5.3
175.04016	6.5
177.05637	1.3
179.03496	7.8
185.02451	1.6
195.08130	1.1
203.03450	9.7
204.03876	1.2
211.07533	1.1
221.06096	1.4
223.07736	5.1
225.05534	1.0
225.11313	1.2
229.01434	6.2
230.01796	3.5
231.02052	5.7
239.10901	1.1
241.08719	1.3
249.05688	1.3
250.06171	2.2
251.06264	1.8
265.08691	2.0
267.06595	6.8
268.06891	2.6
269.07208	5.4
271.08813	2.7
277.05038	3.8
278.05408	1.6
279.05670	2.6
280.06174	1.1
283.09818	1.3
285.07626	2.5
293.06766	19.6
294.07037	1.2
295.05936	6.0
296.06363	4.3
297.06735	8.1
299.09366	2.8
309.07846	4.6
339.05011	7.7
340.05396	6.6
341.05658	28.2
341.09906	1.4
342.05780	1.9
343.08194	2.4
351.16599	1.0
385.09229	2.1
417.11984	15.6
418.12308	1.8
443.10022	10.6
444.10553	1.2
461.10941	39.8
461.20398	2.4
462.11423	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	461.109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88130	0.6
59.01097	1.1
59.01383	20.8
60.01727	1.0
60.04613	0.6
65.00302	0.8
69.09524	0.6
71.01392	5.4
73.02958	1.2
75.00878	14.3
75.88178	0.6
82.58869	0.6
83.01366	1.0
85.02958	2.2
87.00864	1.5
87.69881	0.7
89.02441	1.2
89.52132	0.6
91.01881	1.2
93.03459	1.8
93.06668	0.6
93.25851	0.6
95.01400	1.5
96.99330	0.6
101.02450	3.9
105.01941	1.0
107.01371	1.1
108.02189	1.7
109.02957	45.7
110.03298	1.8
111.00920	1.6
113.02454	2.8
119.05034	100.0
120.05361	4.6
123.00891	1.0
123.04504	1.1
135.04539	2.2
137.02419	1.2
145.02943	2.1
149.02397	0.7
151.00388	0.6
151.04005	0.8
152.01132	2.2
152.50006	0.6
153.01944	69.4
154.02287	2.5
161.02478	3.6
163.04016	33.8
164.04329	0.7
177.01909	1.5
179.03493	1.8
195.02907	3.2
207.02943	1.0
223.07683	1.6
225.03984	0.9
225.11697	0.6
237.04117	2.4
241.01520	1.1
241.08696	0.9
242.01723	0.6
245.01047	0.7
249.71857	0.8
249.93010	0.7
255.05193	1.2
263.13037	1.1
265.08746	0.8
270.01593	0.9
271.02472	2.0
285.04230	0.9
297.06161	51.2
298.01178	1.0
298.06573	3.9
299.01935	1.9
299.05322	0.7
299.09207	0.7
300.02731	0.7
309.07742	1.0
313.66248	0.6
343.08569	0.8
359.15448	0.9
385.09158	1.2
394.00571	0.7
417.11908	5.3
418.12430	1.5
443.10428	0.8
461.10962	76.1
461.28455	4.3
462.11316	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	21.4
61.98823	2.0
70.33192	2.9
71.01379	6.0
71.39062	1.5
72.99306	3.5
73.02950	4.0
75.00878	56.3
85.02945	2.6
85.72475	1.5
89.02439	4.2
89.03966	1.5
93.03452	2.1
101.02435	3.1
109.02966	9.3
109.19982	1.2
111.00837	1.5
113.02458	2.0
117.03479	11.6
118.99881	2.0
119.04988	3.2
121.02947	3.9
123.04521	2.4
125.02428	1.9
133.02974	17.0
134.03712	4.4
135.04532	78.3
136.04807	3.4
137.02400	2.3
145.02968	2.8
147.04536	3.9
148.05408	3.1
149.02449	1.6
149.06068	2.3
159.04485	2.1
161.02452	100.0
162.02747	9.3
164.50751	1.3
165.32030	1.4
167.03488	1.8
173.22878	1.5
175.04005	6.0
177.01967	2.2
179.03503	16.7
193.05325	1.5
205.01427	25.6
206.01863	1.6
211.07515	1.6
219.02992	15.3
223.07669	3.2
225.11313	1.9
226.06349	27.8
227.07132	50.6
228.07376	4.4
231.03090	1.6
237.04044	20.0
239.10770	1.9
243.06548	1.7
250.40915	1.5
253.04922	1.6
253.08965	2.2
255.06630	4.8
255.10332	3.1
267.06671	2.2
271.02368	2.8
296.06393	1.6
297.07550	3.2
299.06195	2.1
299.09296	12.8
309.07513	2.4
315.01514	3.3
336.24258	1.5
341.06641	19.6
342.07175	1.9
343.08234	3.2
359.07690	4.4
389.12488	8.0
417.08246	6.8
461.14758	8.6
461.20007	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	461.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88510	0.6
58.20026	0.6
69.94638	1.2
69.95033	1.7
72.99287	0.7
75.00877	35.5
76.01231	1.1
79.57384	0.7
101.60674	0.8
109.02958	18.4
110.03273	0.8
117.01933	1.1
133.02965	15.7
134.03731	1.9
135.04539	56.0
136.04868	2.9
145.02946	3.0
149.06114	6.9
159.04538	1.1
161.02458	100.0
161.06023	5.1
162.02814	5.7
175.04018	3.2
179.03514	29.4
180.03825	1.8
187.04008	10.1
188.04404	0.7
192.82701	0.7
193.05080	1.3
205.05151	0.7
237.04031	33.5
238.04353	2.1
243.06554	1.1
255.06659	17.0
256.07120	1.2
263.05618	1.3
297.07675	6.2
315.08813	4.4
373.09320	2.7
406.16077	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.073
Annotation	Unknow
Peak:m/z	Relative Intensity
65.12184	2.7
66.67186	2.3
69.46760	5.4
69.47156	20.3
71.01360	3.3
71.58016	2.5
75.00883	49.9
85.03002	2.7
85.86679	2.3
101.99451	3.3
103.62704	2.5
107.04990	2.5
108.02189	8.3
109.02961	58.9
115.00359	5.2
119.05030	4.5
121.02953	6.6
121.91637	2.7
123.04433	3.6
133.02963	6.0
135.04536	74.8
136.04794	5.2
137.02448	3.8
145.02921	4.3
146.03766	4.6
147.04550	13.6
149.06084	33.2
159.04482	5.2
161.02460	37.9
161.06104	28.7
163.04008	4.5
174.03220	5.4
175.04028	31.1
176.04462	3.0
179.03488	19.2
187.03995	31.8
188.04706	4.4
189.05318	3.3
193.05063	100.0
194.05460	4.8
213.05508	3.8
219.06581	7.5
222.17447	2.7
237.03920	3.6
241.05042	7.3
242.05786	18.7
243.06558	21.1
253.08719	4.5
255.06685	17.6
257.04498	3.3
263.05670	4.3
269.08273	4.0
271.09805	28.3
272.09845	2.7
279.06552	3.0
281.04654	4.5
282.05164	5.2
297.07712	87.6
298.08017	10.2
299.05637	12.1
300.05768	3.1
311.05609	11.8
311.08792	3.1
315.08673	5.0
323.05801	4.5
329.10071	3.9
332.89499	2.8
341.06656	12.1
342.06973	2.7
359.07782	17.8
373.09042	6.3
417.08136	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	460.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.1
61.98835	100.0
62.79062	0.8
70.20229	1.5
70.20623	1.2
83.01408	1.7
98.20631	0.7
118.13755	0.8
175.66141	0.7
190.05080	1.5
195.17572	7.1
196.17874	1.0
219.17494	1.1
235.20712	1.2
237.18625	16.6
238.18906	1.1
255.19699	1.4
261.18610	7.0
262.18872	1.2
279.19635	13.1
280.20029	1.8
323.18646	5.0
345.86136	0.8
346.25540	0.9
365.19156	0.8
397.22321	45.0
398.22595	7.6
461.17056	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61756	1.2
59.01369	3.7
61.98834	100.0
62.60293	1.0
70.19199	4.5
83.01374	1.1
101.82813	1.0
111.80389	1.0
118.90292	1.0
122.85616	1.0
125.02424	2.0
145.95305	1.1
182.82359	1.1
195.17567	7.2
235.20689	1.7
237.18614	16.5
238.18924	1.8
255.19598	2.8
261.18451	7.2
279.19675	15.2
323.18631	6.0
343.08661	1.2
397.22302	56.7
398.22665	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	459.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09828	1.1
51.61385	1.2
52.75118	1.1
53.50681	1.3
55.01865	1.4
59.01383	100.0
60.01725	1.4
65.97110	1.2
67.79045	1.4
69.26973	14.8
71.01388	30.4
71.31854	1.3
73.02953	6.8
75.00858	3.0
78.95924	2.3
82.44148	1.3
83.01385	3.2
85.02957	9.9
87.00856	1.5
89.02449	32.0
93.10938	1.2
101.02454	24.2
101.31110	1.4
108.89693	1.4
109.02940	3.4
113.02455	15.1
117.53204	1.3
119.03502	16.9
121.02867	1.3
125.38094	1.3
143.03487	3.2
149.04585	1.6
159.02959	1.4
161.04593	12.4
179.05614	6.6
185.02426	2.1
223.13391	5.4
284.96255	1.3
295.05936	1.8
399.23834	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2905
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
70.37298	0.8
78.01221	0.2
81.64182	0.2
98.20528	0.3
104.31596	0.2
107.05031	30.4
108.05381	1.0
109.69267	0.2
147.08142	0.6
163.11288	100.0
164.11630	6.6
167.21704	0.2
187.11241	0.3
238.09998	0.5
280.14804	0.3
283.17035	25.0
284.17365	2.9
295.17029	15.8
296.17352	1.7
459.29034	81.3
460.29385	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
57.03450	0.3
58.00591	0.7
59.01381	100.0
60.01726	1.2
60.43981	0.3
61.74692	0.3
62.63108	0.2
67.61362	0.2
69.03445	0.5
69.35176	2.2
71.01385	12.0
72.99319	0.6
73.02950	4.6
75.00883	0.6
83.01395	1.5
85.02956	4.4
86.66782	0.3
87.00897	0.9
87.04547	0.9
89.02449	6.1
95.01411	1.2
99.00890	1.1
101.02448	10.1
101.06068	2.2
109.21185	0.3
112.55355	0.3
113.02446	5.9
119.03518	2.0
125.02484	0.7
131.03589	0.3
141.01883	0.3
143.03542	1.1
159.03087	0.4
161.04539	3.9
161.05620	0.3
179.05629	1.2
254.13600	0.3
255.19638	1.9
287.04391	0.3
297.20956	0.9
321.20688	0.3
381.23083	1.0
399.23798	3.8
400.24579	0.5
406.90918	0.3
417.19513	0.3
417.24890	7.3
418.25305	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
57.03458	0.8
58.00604	0.6
59.01384	100.0
60.01722	1.6
61.98841	0.3
67.59468	0.3
69.03467	0.5
69.41130	2.2
71.01388	13.1
71.05030	0.3
72.99337	0.7
73.02951	5.7
75.00866	0.8
83.01398	2.0
85.02951	4.6
87.00901	0.8
87.04526	0.4
89.02448	6.9
95.01415	0.9
97.02978	0.5
99.00898	0.9
99.04533	0.4
101.02448	9.0
101.06107	1.0
101.16012	0.3
109.02982	0.7
113.02460	7.6
114.02811	0.3
119.03502	2.8
125.02449	0.5
129.14613	0.3
131.03563	0.4
143.03481	1.4
149.04546	0.6
159.03047	0.4
161.04572	3.5
179.05659	1.3
185.02539	0.6
201.11337	0.3
211.32875	0.3
254.83022	0.3
255.19667	2.2
256.20145	0.3
264.27777	0.3
295.06204	0.5
297.20575	0.4
321.20923	0.3
339.51663	0.3
381.22513	0.3
398.30527	0.3
399.23923	4.1
400.24561	0.6
415.27167	1.5
417.24988	6.6
418.25250	0.6
427.85931	0.3
459.22202	0.4
459.30450	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21873	0.2
55.01870	0.5
56.53672	0.2
57.03456	0.6
59.01381	100.0
60.01724	1.1
63.17800	0.2
69.40248	0.6
69.40665	1.3
71.01386	9.4
73.02949	4.0
75.00884	1.1
76.27600	0.3
81.03457	0.3
82.85326	0.3
83.01392	1.5
85.02954	3.7
86.81618	0.2
87.00886	0.3
87.04539	0.9
89.02446	1.9
95.01414	1.0
99.00916	1.0
101.02440	4.7
109.03000	0.8
111.01023	0.2
113.02452	6.8
114.02805	0.3
119.03538	0.8
125.02496	0.3
131.03572	0.4
135.04588	0.3
143.03551	0.5
159.03033	0.4
161.02464	0.4
161.04556	3.3
178.01143	0.2
185.02507	0.4
211.07693	0.4
255.19647	0.4
295.06223	0.6
339.05161	0.4
343.73431	0.3
354.75586	0.3
373.22577	0.3
399.23911	6.1
400.24426	0.8
417.24930	2.6
420.57153	0.3
459.21600	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.4
57.03458	0.7
57.56691	0.4
59.01382	100.0
60.01718	1.1
61.32296	0.5
62.01849	0.4
63.71425	0.4
69.79961	2.6
71.01387	7.0
72.99304	0.5
73.02957	3.2
83.01387	1.3
85.02960	2.3
87.00926	0.5
87.04502	0.8
89.02460	2.7
95.01409	0.5
99.00909	0.6
101.02442	5.1
101.06078	0.9
113.02468	3.0
117.40117	0.4
119.03532	1.3
131.03485	0.4
143.03606	0.6
161.04578	1.7
179.05670	0.8
180.53140	0.5
201.11566	0.5
221.46144	0.5
255.19681	0.8
269.65228	0.4
297.20779	0.4
381.22964	0.8
394.36713	0.6
399.23871	2.5
417.25107	3.2
418.25275	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41423	0.3
55.01875	0.4
57.03466	0.9
57.54015	0.4
58.00578	0.4
58.58284	0.4
58.76350	0.3
59.01383	100.0
60.01731	1.5
65.21156	0.4
65.45639	0.3
69.03469	0.4
69.41032	3.1
71.01388	11.1
72.31023	0.3
72.99321	0.7
73.02947	4.4
75.00880	1.7
77.68667	0.3
77.77950	0.3
83.01387	1.7
85.02961	3.3
87.00908	0.9
87.04540	1.2
87.69405	0.4
88.06614	0.3
89.02460	3.7
95.01389	0.5
99.00896	1.0
101.02451	6.5
101.06097	1.7
109.02986	1.3
111.00944	0.5
113.02451	5.3
119.03546	1.6
120.03867	0.4
125.02473	0.5
143.03545	0.8
156.91058	0.4
161.04584	3.0
179.05663	0.5
185.02501	1.1
199.13335	0.4
201.11397	1.1
255.19933	0.5
295.06158	0.8
297.20688	0.7
339.05023	0.7
373.22549	0.4
380.51099	0.4
393.02661	0.4
399.24014	4.5
400.24216	0.5
415.19806	0.4
415.26959	1.9
417.25089	5.2
418.25775	0.6
440.02606	0.4
459.22537	4.4
459.28799	0.7
460.22632	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	5.5
59.01385	8.4
61.98828	4.1
75.00890	6.0
75.69591	2.3
79.75400	2.6
81.03464	3.7
83.01398	7.2
83.05058	4.5
95.05029	7.4
109.02931	13.7
121.02937	5.4
123.04444	4.4
125.02454	5.4
135.04416	3.6
135.08208	2.7
164.88393	2.5
167.14417	7.7
185.02469	8.7
189.09259	3.1
191.14388	11.5
207.17491	4.6
231.17557	26.3
232.17860	3.0
233.15450	9.6
245.19090	6.0
273.18610	18.6
275.16483	18.0
293.17691	5.3
295.06058	9.8
317.17532	28.6
318.17810	4.5
319.15491	7.3
327.23346	5.1
331.19144	3.7
361.16583	100.0
362.16885	12.5
371.22214	5.4
415.20584	15.5
415.25891	4.7
459.23758	64.9
460.24136	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76914	0.8
52.48800	0.7
57.03459	0.9
58.62468	0.8
59.01383	100.0
60.01722	1.2
69.44226	0.8
71.01389	13.5
72.99279	1.2
73.02935	4.9
75.00867	3.2
83.01402	2.5
85.02958	6.1
87.00880	1.6
87.04530	0.8
89.02479	4.1
95.01383	1.5
99.00885	1.3
101.02463	8.9
109.02976	4.2
113.02445	4.7
127.11175	0.9
145.02950	1.3
157.35728	0.9
159.04544	1.6
161.02480	1.8
161.04536	4.0
167.10802	2.2
185.02423	1.6
201.11279	1.4
229.01588	1.0
229.62726	1.5
229.80618	1.0
255.15807	1.2
271.24490	0.9
280.31210	0.8
295.06064	3.6
339.04810	1.4
373.22299	4.6
385.26169	1.4
399.20221	2.3
415.22986	1.2
417.20877	4.5
459.22229	21.0
459.28467	1.6
460.22607	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
57.03443	0.8
59.01381	15.2
68.65121	0.2
69.03456	1.7
69.46634	0.3
70.15288	0.8
70.72005	0.2
71.01389	8.1
71.05029	0.5
72.99308	0.4
73.02956	1.4
75.00883	0.6
83.01386	0.9
83.05021	0.5
85.02959	1.8
85.06572	0.3
87.00891	1.0
89.02453	7.6
93.03490	0.3
95.01391	0.7
95.05046	0.3
97.02900	0.4
98.45892	0.2
99.00901	0.3
101.02451	8.1
107.82426	0.2
109.02976	0.5
109.06650	0.3
113.02460	4.2
119.03487	1.9
125.02440	0.5
125.09720	0.6
131.03496	0.4
135.11806	0.3
143.03508	0.7
149.09760	0.6
150.19347	0.3
153.09193	0.3
159.43738	0.3
161.04561	2.6
161.13376	0.3
167.10794	3.0
175.91306	0.2
177.12860	0.7
179.05609	0.9
179.10802	1.0
179.14406	3.3
180.04332	0.3
195.13907	9.3
196.14221	0.6
201.11310	0.3
205.12338	9.7
206.12679	0.4
223.13397	100.0
224.13736	7.9
235.08118	0.7
253.09291	30.9
254.09607	1.4
308.56927	0.3
445.57153	0.3
459.12820	0.3
459.22412	4.6
459.28882	0.3
460.22818	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.2
56.96764	0.2
57.03436	0.7
58.00597	0.3
59.01382	12.7
61.98840	0.2
69.03460	2.1
71.01386	4.8
71.05012	0.6
72.99290	0.2
73.02956	0.9
75.00879	0.3
75.29189	0.2
83.01386	0.7
83.05023	0.4
85.02949	1.3
85.06606	0.5
87.00889	0.6
89.02447	4.0
93.03432	0.3
95.01385	0.3
95.05011	0.3
97.06614	0.3
99.00877	0.3
101.02452	4.2
108.05841	0.3
109.02956	0.4
109.06592	0.5
113.02437	2.2
119.03516	1.3
125.09747	0.2
135.11780	0.2
141.09225	0.3
143.03500	0.4
149.09695	0.7
158.45619	0.2
161.04523	1.7
161.13341	0.4
163.11218	0.2
167.10802	3.3
177.12820	0.7
179.05669	0.5
179.10809	1.4
179.14401	3.7
187.11327	0.2
195.13902	10.1
196.14262	0.8
205.12331	9.6
206.12717	0.8
223.13393	100.0
224.13742	7.8
235.08298	0.5
253.09286	16.8
254.09642	0.8
417.24921	0.2
459.22266	3.6
459.28345	0.4
460.22314	0.8
465.99136	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27428	0.6
55.01883	2.2
57.03448	3.8
58.00609	2.0
59.01385	100.0
60.01716	1.3
69.03454	1.3
70.49529	0.8
70.49873	2.0
71.01389	36.8
71.05040	1.7
72.01735	0.7
72.99321	2.7
73.02954	12.0
75.00882	11.7
76.01189	0.9
83.01406	8.5
85.02959	16.2
86.00107	1.3
87.00887	3.8
89.02449	11.2
89.02977	0.6
93.03483	0.9
95.01411	3.6
97.02972	1.5
99.00900	4.7
101.02455	24.2
101.06111	3.6
102.02810	0.9
105.14441	0.6
109.02959	5.4
111.00905	1.2
111.04549	1.1
113.02467	13.0
117.03488	1.0
119.03515	4.2
119.05048	2.3
120.05363	0.7
121.02964	0.9
125.02479	1.1
125.06067	2.1
135.04535	2.9
138.05649	1.0
143.03491	1.6
145.03006	3.5
147.04538	0.8
151.04028	0.7
159.02934	1.0
159.04535	1.0
161.02472	4.3
161.04565	4.9
163.04108	1.6
175.03992	1.5
179.03479	1.2
185.02417	3.2
193.05200	1.2
211.16919	0.6
217.10881	0.8
229.01395	0.7
237.14973	0.9
251.07106	0.9
253.04909	0.7
255.03091	0.8
255.16122	1.7
261.11530	0.8
267.02881	1.2
267.06604	0.7
277.04919	0.8
279.03156	1.0
281.04495	0.8
295.06247	4.0
296.06253	1.2
339.05151	3.1
373.22244	3.5
376.10840	0.7
381.19061	0.9
391.29144	0.6
399.15390	0.8
399.20248	11.9
400.20605	1.8
415.23929	0.7
417.21329	19.3
418.21573	2.5
428.77676	0.7
459.22351	94.3
460.16727	1.2
460.22739	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67380	0.6
55.01893	3.2
56.79363	0.6
57.03449	3.9
58.00611	1.3
59.01384	100.0
60.01712	1.3
69.03457	0.8
69.43553	2.9
69.43979	2.2
71.01389	34.1
72.01727	1.0
72.99317	1.9
73.02950	12.6
75.00878	10.3
83.01390	7.4
83.50736	0.7
85.02956	17.2
85.03451	1.3
86.00101	1.2
87.00880	2.0
89.02458	8.3
89.14510	0.6
89.49944	0.7
93.03471	1.3
95.01405	2.8
95.72238	0.6
97.02993	0.7
99.00887	4.3
101.02454	23.5
109.02949	5.0
111.00920	1.3
111.04546	3.3
113.02465	12.0
119.03510	2.9
119.05041	3.7
120.05340	0.8
121.02963	1.3
123.04519	0.9
125.02457	1.3
125.06066	1.6
131.05020	0.9
133.02904	0.7
134.53729	0.6
135.04518	1.1
143.03513	1.1
143.10770	1.0
145.02965	5.0
146.03394	1.0
147.04507	1.7
151.04012	0.7
159.02910	1.3
159.04559	1.8
160.01500	0.7
161.02438	2.1
161.04572	3.8
163.04005	1.8
168.06662	0.8
177.05602	0.8
185.02475	2.5
211.17035	1.9
220.03510	0.8
229.01436	0.8
237.14987	2.1
255.15977	0.9
255.50717	0.6
265.11615	1.0
267.06732	0.8
295.06033	3.1
296.06088	1.1
339.05060	2.5
373.22220	2.4
381.19482	0.8
399.10260	2.4
399.20236	12.0
400.20590	1.9
417.21338	19.9
418.21567	1.8
441.21387	2.9
459.22385	90.1
460.22681	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	459.2029
Annotation	[3aR-(3aalpha,4alpha,6beta,8alpha,8aalpha,9aalpha)]-8-(Acetyloxy)-2,3,3a,4,6,7,8,8a,9,9a-decahydro-5,8a-dimethyl-3-methylene-6-(2-methyl-1-oxopropoxy)-2-oxonaphtho[2,3-b]furan-4-yl ester 2-methyl-2-propenoic acid
Peak:m/z	Relative Intensity
55.97639	0.3
57.02031	0.3
57.03452	13.1
59.01384	8.3
61.98828	0.5
65.00319	1.9
65.31168	0.4
69.58545	2.1
71.01376	2.2
73.02954	0.4
73.96590	0.4
75.00883	0.8
79.05520	0.3
81.03463	5.5
83.01395	5.6
83.05047	0.5
85.02930	0.5
89.02446	1.3
97.06575	0.4
98.20621	0.5
101.02473	1.1
105.03482	0.4
109.02957	1.1
109.65283	0.3
113.02435	0.9
116.92908	0.4
119.03510	0.9
121.03003	0.6
121.06619	3.1
123.04535	6.0
125.02454	100.0
126.02796	3.6
133.06587	0.5
135.04533	0.6
147.04536	1.1
149.02438	0.7
151.00368	0.4
159.04512	0.5
161.04565	0.5
163.07658	1.2
165.05589	1.9
167.03503	1.0
167.05081	0.3
179.05627	0.5
181.16002	2.1
185.02470	0.7
189.05566	1.1
191.03592	0.5
205.15997	2.1
207.06593	0.4
221.19159	0.4
223.13445	2.1
223.17090	0.8
245.19101	3.4
247.17050	4.2
253.09340	0.5
259.20746	0.7
265.18097	0.5
285.22235	0.6
287.20236	6.1
288.20380	0.7
289.18121	5.4
290.18561	0.5
295.06152	0.9
305.21387	0.7
313.18115	1.1
327.23572	0.5
329.21259	5.0
331.19119	3.5
332.19623	0.4
333.17105	12.2
334.17371	1.8
339.05020	0.5
347.22311	0.4
353.21442	0.6
355.19199	3.1
357.17108	0.6
371.22195	2.9
373.20190	1.7
375.18188	5.8
376.18594	0.6
397.20206	0.4
413.16553	0.4
415.21280	17.8
415.26880	0.8
416.21600	3.1
417.19162	0.7
441.19177	0.5
459.20297	34.1
460.20569	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	459.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.6
56.72495	0.6
57.03459	1.6
58.00603	0.7
59.01383	100.0
60.01719	1.3
61.98836	1.9
67.68263	0.5
69.03465	0.5
71.01388	14.2
72.99316	0.9
73.02946	5.7
75.00883	4.1
83.01396	2.7
85.02962	5.3
87.00894	1.4
87.04535	1.2
89.02442	5.4
95.01423	1.3
97.06607	1.1
99.00889	1.6
101.02454	9.0
101.06137	0.8
109.02961	4.2
113.02438	6.5
113.06145	0.8
117.87791	0.5
119.03515	2.1
119.05032	0.5
124.01606	0.5
125.02467	1.1
143.03526	1.1
145.02969	1.2
159.04591	1.4
161.02519	1.0
161.04539	2.7
171.10284	0.9
173.02423	0.6
185.02478	2.3
195.61342	0.5
201.11359	3.8
205.15782	0.5
211.13641	0.5
221.11726	0.5
223.13332	0.7
237.15019	0.8
239.07240	0.6
255.16063	1.0
267.06653	0.5
277.05084	0.6
278.72604	0.5
295.06165	3.2
315.36057	0.5
339.05267	0.9
355.17691	1.0
373.18839	1.7
385.26013	0.7
399.19489	1.0
399.24527	3.3
415.19543	3.9
415.27151	5.1
416.27573	0.7
417.21231	2.4
417.25131	2.4
441.28738	1.3
459.22241	14.7
459.29456	2.3
460.22839	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.6
56.72495	0.6
57.03459	1.6
58.00603	0.7
59.01383	100.0
60.01719	1.3
61.98836	1.9
67.68263	0.5
69.03465	0.5
71.01388	14.2
72.99316	0.9
73.02946	5.7
75.00883	4.1
83.01396	2.7
85.02962	5.3
87.00894	1.4
87.04535	1.2
89.02442	5.4
95.01423	1.3
97.06607	1.1
99.00889	1.6
101.02454	9.0
101.06137	0.8
109.02961	4.2
113.02438	6.5
113.06145	0.8
117.87791	0.5
119.03515	2.1
119.05032	0.5
124.01606	0.5
125.02467	1.1
143.03526	1.1
145.02969	1.2
159.04591	1.4
161.02519	1.0
161.04539	2.7
171.10284	0.9
173.02423	0.6
185.02478	2.3
195.61342	0.5
201.11359	3.8
205.15782	0.5
211.13641	0.5
221.11726	0.5
223.13332	0.7
237.15019	0.8
239.07240	0.6
255.16063	1.0
267.06653	0.5
277.05084	0.6
278.72604	0.5
295.06165	3.2
315.36057	0.5
339.05267	0.9
355.17691	1.0
373.18839	1.7
385.26013	0.7
399.19489	1.0
399.24527	3.3
415.19543	3.9
415.27151	5.1
416.27573	0.7
417.21231	2.4
417.25131	2.4
441.28738	1.3
459.22241	14.7
459.29456	2.3
460.22839	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	2.5
59.01386	72.0
60.01745	1.7
60.99310	14.0
61.98837	3.5
70.63863	2.2
71.01392	12.2
71.18739	4.6
72.99303	3.9
73.02958	4.9
75.00881	11.8
83.01382	2.8
83.73218	2.0
85.02944	2.4
88.98813	100.0
89.02460	3.3
101.02440	7.7
109.02971	12.9
113.02447	3.5
119.03508	2.5
121.02963	5.6
125.02420	2.7
131.61752	2.2
145.02974	2.8
150.11771	2.1
161.02444	2.6
161.04565	2.1
166.79535	2.1
173.02359	3.4
178.90436	1.8
185.02371	7.0
186.03110	2.3
205.12271	2.5
208.67682	2.0
209.15401	3.3
223.13385	22.2
224.13771	3.1
251.16533	5.3
253.09296	4.8
255.19695	5.9
268.41284	1.9
279.16232	2.1
295.06116	12.4
339.04935	2.7
366.38287	2.2
369.19211	16.7
399.23608	4.9
401.08658	3.5
417.25034	15.2
418.25601	2.2
459.09454	3.2
459.26218	31.1
460.26654	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	459.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48673	0.8
57.03445	1.3
59.01385	34.3
60.99318	14.1
61.98849	1.2
64.29042	1.0
71.01385	5.3
72.99278	0.9
73.02956	2.9
73.61712	0.9
75.00877	6.4
85.02952	1.3
87.02032	1.1
88.98814	100.0
89.02462	1.2
97.02942	1.3
100.04052	3.3
101.02465	3.7
109.02970	7.6
113.02441	2.7
121.02962	4.5
145.03000	1.5
159.04428	1.2
167.14404	1.8
185.02466	3.9
209.15474	3.3
223.13412	3.4
233.15500	1.9
251.16547	3.8
291.37012	1.4
295.06281	5.9
295.15436	1.5
313.07468	1.1
323.09488	1.2
339.05203	1.7
349.07065	1.1
369.19165	13.5
370.19574	1.4
399.23401	2.0
400.23285	1.3
417.24487	4.5
418.24356	2.9
458.23926	1.3
459.25131	9.5
460.26367	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.7
55.73646	1.7
57.03434	1.6
58.00582	1.5
59.01386	100.0
59.64333	1.6
60.01709	1.8
71.01392	23.9
72.99326	3.1
73.02951	12.7
75.00886	7.7
75.43188	1.6
83.01394	4.0
83.77121	1.4
85.02952	10.0
87.00912	2.9
87.04498	3.0
89.02445	8.9
95.01409	3.4
97.03001	1.8
98.19917	4.1
99.00892	2.8
101.02471	18.4
109.02963	8.8
113.02480	9.5
115.07617	1.5
119.03514	4.2
119.05048	2.1
119.20740	1.6
125.02446	1.7
143.03505	2.8
145.02950	2.1
147.04492	1.6
149.06136	2.4
161.02498	2.4
161.04576	3.8
163.04214	1.5
171.10255	1.8
175.14957	1.5
185.02449	3.3
201.11320	15.8
211.07816	1.5
223.13431	1.5
237.14954	3.1
255.10228	2.5
255.15953	3.3
267.06860	1.7
295.06125	4.4
373.18701	2.8
399.20209	5.6
415.19681	11.0
417.21045	9.8
441.28967	2.7
459.16061	2.3
459.22223	48.5
459.29324	5.5
460.22900	6.1
468.16739	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35496	0.4
59.01382	100.0
60.01721	1.4
69.43302	2.1
69.43726	1.4
71.01398	1.9
73.02956	1.0
75.00882	3.2
79.57362	0.4
85.02979	0.6
89.02462	1.3
93.03449	0.4
96.81597	0.4
101.02466	1.1
104.50182	0.4
106.00835	0.4
109.02951	3.3
113.02495	1.2
119.03534	0.5
119.05021	0.7
121.03046	0.6
121.75439	0.4
135.04572	0.5
145.03004	1.0
147.04538	1.8
157.03056	0.5
159.04532	1.8
161.04616	0.9
173.02460	0.5
175.04092	0.5
176.23204	0.4
177.09232	1.0
185.02415	0.9
186.62016	0.4
195.10271	1.0
202.16119	0.4
229.01443	2.1
239.07199	0.7
249.05597	0.6
250.06323	0.7
251.07233	0.5
267.06595	2.8
269.08292	0.7
277.05206	1.4
295.06122	5.0
319.88562	0.4
339.05130	6.5
339.14502	1.0
340.05374	0.8
357.15601	1.4
399.16547	3.1
455.23413	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	71.7
71.01387	1.8
71.12830	2.6
75.00870	12.6
77.97644	1.2
88.45925	1.1
89.02429	1.9
90.34960	1.1
96.71818	1.1
105.48462	1.1
108.02223	2.2
109.02959	28.5
113.02480	1.1
116.90673	1.2
119.05001	1.8
121.02953	2.9
129.03513	2.0
131.05042	1.1
135.04495	1.3
137.02414	1.6
145.02940	9.3
146.03749	3.3
147.04530	22.3
148.04793	1.2
157.02960	8.1
158.03685	1.8
159.04526	19.9
161.02446	1.4
173.02411	2.7
174.03163	2.0
175.03986	3.3
185.02473	4.0
193.06644	1.5
197.06180	1.1
201.01923	1.8
203.03491	4.0
209.06044	1.3
221.06070	4.2
225.05432	1.5
229.01418	40.2
230.01929	2.3
237.05519	2.5
238.06375	2.1
239.07130	2.6
240.07626	1.1
248.04802	2.4
249.05588	8.2
250.06267	4.1
253.05032	1.8
261.04123	3.3
265.05136	1.4
266.05884	2.7
267.06628	28.8
268.07001	2.5
269.08170	13.0
270.08502	1.3
276.04221	1.3
277.05032	15.9
278.05606	3.3
293.04572	5.9
294.05276	4.1
295.06137	40.3
296.06418	4.3
313.07190	3.0
330.73401	1.1
339.05090	100.0
340.05386	11.6
357.06232	2.2
357.15753	1.6
371.07614	2.7
399.16473	3.4
475.42731	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35496	0.4
59.01382	100.0
60.01721	1.4
69.43302	2.1
69.43726	1.4
71.01398	1.9
73.02956	1.0
75.00882	3.2
79.57362	0.4
85.02979	0.6
89.02462	1.3
93.03449	0.4
96.81597	0.4
101.02466	1.1
104.50182	0.4
106.00835	0.4
109.02951	3.3
113.02495	1.2
119.03534	0.5
119.05021	0.7
121.03046	0.6
121.75439	0.4
135.04572	0.5
145.03004	1.0
147.04538	1.8
157.03056	0.5
159.04532	1.8
161.04616	0.9
173.02460	0.5
175.04092	0.5
176.23204	0.4
177.09232	1.0
185.02415	0.9
186.62016	0.4
195.10271	1.0
202.16119	0.4
229.01443	2.1
239.07199	0.7
249.05597	0.6
250.06323	0.7
251.07233	0.5
267.06595	2.8
269.08292	0.7
277.05206	1.4
295.06122	5.0
319.88562	0.4
339.05130	6.5
339.14502	1.0
340.05374	0.8
357.15601	1.4
399.16547	3.1
455.23413	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17903	1.1
59.97025	1.0
70.63435	3.7
72.99310	5.0
75.00878	19.5
78.56930	1.1
78.65813	1.1
93.02884	1.3
99.00922	1.7
108.02202	1.4
109.02957	100.0
110.03279	5.1
118.99857	9.9
119.05107	1.3
121.02974	3.8
145.02975	3.5
147.04512	4.9
157.02960	5.4
158.03735	2.5
159.04523	19.1
160.04845	1.5
161.02478	3.7
173.02435	8.5
175.03989	5.7
185.02443	68.5
186.03140	10.6
203.03526	4.1
217.05118	1.9
221.06058	1.2
225.05521	1.4
233.49902	1.2
237.03728	1.2
239.07016	1.5
249.05692	1.5
253.05032	5.5
267.06674	4.7
269.08194	2.3
277.05054	5.4
278.01199	1.3
278.05695	2.7
280.03876	1.7
293.04388	3.2
294.05307	1.5
295.06119	82.9
296.06470	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99236	1.9
56.08309	1.9
57.03427	2.0
59.01388	26.7
60.99313	16.5
71.01385	6.1
75.00876	10.1
75.49395	1.7
88.98253	4.7
88.98811	100.0
98.20743	3.5
101.02442	5.7
113.02485	3.5
119.05027	14.4
121.06598	4.5
145.02927	2.6
161.02469	3.0
253.14507	4.7
457.20938	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	457.2362
Annotation	[(1R)-1-(hydroxymethyl)-2-phosphonooxy-ethyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Peak:m/z	Relative Intensity
59.01354	0.3
59.38410	0.3
70.03481	1.0
77.62189	0.2
78.95908	53.7
84.37887	0.3
96.96969	6.6
150.98024	1.7
152.99596	100.0
153.99922	1.9
171.00676	4.7
303.23547	0.6
322.77383	0.3
370.37683	0.2
457.23645	3.6
458.24072	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46170	0.6
59.01386	100.0
60.01733	1.1
61.13413	0.7
61.98834	1.6
69.03482	0.7
69.84483	3.9
71.01392	3.7
73.02983	0.9
73.85019	0.7
75.00882	2.1
85.02962	1.2
85.99750	0.7
89.02477	3.1
95.01415	0.7
96.96032	0.9
98.19902	0.9
101.02456	2.2
113.02446	1.9
117.63227	0.8
119.03509	0.9
219.75085	0.7
231.80566	0.6
248.62238	0.8
293.78839	0.7
387.17648	0.7
457.25558	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	455.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.2
57.03458	1.8
58.00590	1.5
59.01385	100.0
60.01725	1.5
60.57822	0.6
61.98856	0.9
69.03458	0.9
70.05862	0.9
70.06255	2.2
71.01389	31.6
72.01717	0.8
72.99324	2.2
73.02960	9.0
75.00897	1.8
83.01395	5.9
85.02961	12.9
85.66019	0.6
87.00890	2.2
89.02451	21.9
95.01385	3.4
96.19550	0.6
97.02977	1.1
99.00890	1.9
99.05627	0.8
101.02451	23.7
113.02460	11.4
113.72964	0.6
119.03513	8.8
121.02888	0.8
125.02425	2.2
143.03493	1.6
149.04572	1.7
161.04524	3.7
163.11334	0.7
179.05693	1.8
189.16539	0.8
195.10249	1.3
233.15524	1.3
247.58557	1.1
335.71005	0.7
365.63077	0.8
366.13162	1.1
369.22983	1.2
395.20734	5.1
404.21899	0.7
413.21780	11.9
414.22101	1.8
455.22867	70.4
456.23254	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	455.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38422	0.4
57.03451	16.5
59.01384	5.4
61.25620	0.4
65.00333	3.7
69.03466	0.4
71.01379	0.8
71.33501	0.6
73.02956	0.4
75.00889	0.9
81.03465	4.2
83.01393	8.3
83.05017	0.5
85.02988	0.6
89.02444	0.9
91.04034	0.7
97.02956	0.4
101.02475	0.7
123.01393	0.4
125.02454	100.0
126.02792	3.1
193.16025	1.6
209.15530	0.6
209.19099	1.7
211.17050	1.4
223.13432	0.4
225.18625	2.8
233.19176	0.5
235.17117	2.0
249.18657	1.7
251.16374	0.6
251.20160	1.2
253.18109	4.8
271.19232	2.2
275.20203	0.5
277.18158	0.6
279.15988	1.7
291.19672	7.5
292.19934	0.7
293.21252	1.1
295.19250	2.0
313.20224	1.2
319.19156	1.8
337.20212	6.9
338.20477	0.8
339.17767	0.5
363.18332	2.0
371.20670	0.6
381.19183	10.8
382.19476	1.5
411.23712	4.5
412.24277	0.9
454.67734	0.8
455.22910	32.0
456.23148	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.1
58.00593	0.2
59.01383	5.0
59.09137	0.1
61.98829	0.2
66.77396	0.1
67.35305	0.2
70.38338	0.4
71.01387	2.4
73.02946	0.6
75.00884	0.3
81.23248	0.1
83.01409	0.4
85.02956	0.8
89.02447	1.1
93.03468	0.3
101.02444	1.1
113.02473	1.5
119.05033	100.0
120.04510	0.2
120.05367	4.5
125.64823	0.1
131.03519	0.5
143.03473	0.2
145.02977	0.1
149.04565	0.3
161.04561	0.6
172.58946	0.1
191.05606	0.3
192.92163	0.1
231.26698	0.1
281.10361	1.1
303.93893	0.2
323.11404	0.4
412.32864	0.2
413.14478	3.4
414.14764	0.4
455.08231	0.1
455.09778	0.1
455.15402	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.2
58.00593	3.0
59.01384	55.0
61.98865	0.9
64.34489	0.7
65.01188	0.6
69.03467	1.1
69.29607	3.9
69.30045	2.7
71.01386	16.8
72.99307	4.1
73.02952	9.9
75.00872	1.7
83.01400	3.0
85.02953	6.5
86.00122	0.7
86.03333	0.8
87.00887	6.5
87.04520	1.7
89.02448	15.7
95.01386	0.6
99.00890	6.7
101.02451	19.2
102.02743	1.2
103.04024	8.6
103.05512	1.4
109.02965	1.1
113.02466	2.4
115.04034	2.3
115.05551	1.6
117.03480	1.5
119.03519	10.1
119.05036	2.4
127.04024	1.2
131.03528	4.9
131.05057	4.1
133.06598	2.9
134.97501	0.6
143.03511	6.6
145.05080	2.6
145.06573	0.8
147.04535	100.0
148.04874	6.1
161.06091	23.0
162.06438	1.6
163.06122	10.2
186.58882	0.8
187.07692	1.7
189.05615	10.4
205.07129	7.0
213.05634	1.0
219.06630	0.9
231.06641	4.3
247.08206	1.0
270.96506	0.7
279.03052	1.9
281.04474	0.8
286.19385	0.7
335.11209	1.5
455.07886	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	455.156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.5
58.00594	3.6
59.01383	63.2
60.01706	0.9
65.41281	0.5
65.56940	0.6
69.03455	1.1
69.64043	4.0
70.51151	0.6
71.01391	17.2
72.99319	3.6
73.02951	8.7
75.00874	1.8
75.15173	0.5
78.06711	0.5
83.01403	2.8
83.05033	0.5
85.02957	7.3
86.00110	1.2
87.00884	5.9
87.04529	2.6
89.02447	15.8
95.01400	0.8
97.02956	0.7
98.72041	0.6
99.00873	5.3
101.02454	22.9
103.04022	8.1
103.05551	1.1
109.02919	0.9
113.02461	2.7
115.04031	2.2
115.05517	1.7
119.03513	10.4
119.04945	1.4
127.04017	1.1
131.03513	5.8
131.05034	4.1
133.06604	2.7
135.04565	1.0
135.55051	0.6
143.03532	7.8
145.02989	0.7
145.05075	2.7
147.04536	100.0
148.04881	5.7
161.06096	21.9
162.06395	1.6
163.06142	10.9
171.04485	0.7
175.04089	0.7
187.07690	1.2
189.05573	10.9
189.07094	1.0
190.06036	0.6
191.07143	0.6
201.05556	0.7
203.07162	0.6
205.07133	6.4
207.22116	0.5
213.05531	0.6
231.06671	5.5
247.08163	0.9
279.03061	2.0
281.04547	0.8
289.46707	0.5
293.10431	1.2
335.11377	2.2
385.69455	0.5
455.07916	1.9
455.19165	0.8
471.01797	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56492	0.3
56.59274	0.3
56.67280	0.3
57.18610	0.3
59.01383	2.2
61.43809	0.3
61.72167	0.3
61.98824	0.4
65.53938	0.3
69.03475	2.5
69.58414	2.3
71.01381	1.8
75.00891	0.4
96.95988	0.4
97.02957	3.9
102.82458	0.3
107.05036	0.4
108.02209	0.8
108.28302	0.4
109.02960	53.2
110.03301	1.7
115.05573	0.5
117.07111	0.5
119.05020	0.6
121.02960	0.7
130.04211	1.0
133.02939	1.6
133.06586	2.6
133.48074	0.3
134.03773	1.5
135.04535	89.6
136.04836	4.3
137.02492	0.3
137.06114	0.3
141.57742	0.3
143.05031	5.9
144.05331	0.5
145.02931	0.6
145.06604	0.9
146.03723	3.3
147.04533	1.5
148.05322	3.1
149.06090	50.6
150.03217	0.3
150.06444	2.4
151.04013	4.0
159.04544	2.4
160.05267	0.7
161.02415	1.5
161.06091	35.5
162.06435	1.8
163.04028	2.0
163.07642	4.5
165.05560	4.3
171.04530	7.8
172.05106	1.1
174.03236	13.8
175.03749	1.1
177.05574	3.2
179.03496	5.3
187.04015	1.3
188.04742	1.9
189.05582	94.5
190.05928	6.7
191.03487	3.6
207.06631	100.0
208.06985	7.2
221.04575	0.8
233.04585	0.9
249.07686	0.6
251.05589	3.3
263.14877	0.4
313.09348	4.4
314.09824	0.6
339.10864	7.0
340.10980	0.4
351.10956	0.6
353.12341	4.0
354.12857	0.6
369.11752	0.5
383.10040	2.1
388.72119	0.3
393.12036	1.2
395.09711	0.9
411.13007	9.4
412.13330	1.5
455.06177	0.5
455.12073	9.6
456.12451	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
60.81228	0.7
69.88903	4.2
72.99312	1.3
73.02948	2.8
74.99569	0.7
75.00883	3.6
75.41376	0.7
83.05025	1.1
84.74307	0.8
85.02947	1.2
92.11916	0.8
93.03459	10.1
97.38942	0.7
99.00897	1.5
99.04464	1.2
107.05003	1.7
109.02959	7.9
111.04523	3.3
117.03506	0.9
123.04518	1.5
125.76710	0.7
133.02919	3.3
134.03745	1.9
135.04527	100.0
136.04840	5.8
137.02435	3.3
144.39508	1.0
149.06076	15.2
150.32498	0.7
151.04007	1.1
153.05626	7.2
155.03459	1.0
161.02446	6.8
163.04012	3.8
173.04573	8.2
179.03496	90.8
180.03824	4.9
189.05580	2.3
193.05025	6.4
201.05653	0.8
207.06645	1.8
231.06558	0.9
237.04041	62.8
238.04346	3.4
251.05627	1.4
279.03159	1.0
389.40027	0.9
394.42969	0.8
455.11935	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.11
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.7
58.00586	0.6
59.01385	17.1
60.99313	13.9
61.98833	3.3
71.01377	4.7
71.60770	0.8
73.02951	2.2
75.00885	3.3
83.01403	1.3
85.02958	1.2
87.00876	0.7
88.98814	100.0
89.02446	3.3
89.99149	0.9
96.95983	0.6
101.02457	3.7
113.02475	2.3
119.03493	1.0
119.05023	1.4
135.04503	4.3
142.06676	0.7
161.02492	1.2
179.03493	0.8
186.05611	0.9
229.06218	2.6
254.06091	0.6
303.32059	0.6
365.11343	2.3
395.21051	0.8
455.22574	2.1
456.30051	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17671	1.6
55.70374	1.7
59.01383	100.0
61.98825	2.4
71.61640	1.9
75.00854	1.8
87.78850	1.5
91.04022	1.8
91.77908	1.5
96.95969	2.2
107.84066	1.5
115.79904	1.6
117.62141	1.5
126.73711	1.6
126.93864	1.6
201.12846	3.2
213.10246	1.6
283.20743	3.9
301.21741	6.1
319.22827	7.1
361.48492	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	454.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	6.7
61.98833	100.0
71.01392	1.4
71.62122	1.8
73.02950	1.2
75.00874	0.9
101.02431	0.9
113.02385	0.9
207.13547	0.9
278.01965	1.0
278.81735	0.9
339.28687	0.9
396.75098	1.1
444.49814	1.2
455.35635	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.2
57.03423	0.9
58.00595	2.2
59.01385	100.0
60.01732	1.0
67.38988	0.6
69.03457	2.2
71.01391	50.1
71.61062	1.0
72.99325	2.4
73.02953	65.3
74.03298	1.2
75.00500	0.6
75.00900	1.7
81.03465	1.1
83.01396	18.5
83.01874	1.1
85.02959	5.2
87.00903	0.9
89.02451	13.8
93.62248	0.7
95.01403	1.4
96.96035	2.8
97.02969	2.3
97.29925	0.8
99.00872	1.2
101.02454	59.8
102.02816	1.1
113.02473	10.3
119.03511	3.7
125.02480	2.5
131.03514	3.7
133.41399	0.7
143.03490	4.0
149.04628	2.9
155.03542	1.9
161.02527	1.2
161.04561	9.6
231.13905	29.9
232.14333	2.7
249.15050	1.6
260.96179	0.8
393.19312	1.6
411.19965	3.2
434.12552	0.8
453.21426	16.8
453.28522	2.6
454.22009	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	453.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23994	6.5
50.34752	7.7
57.56018	6.3
59.01381	100.0
60.81431	7.4
61.98825	8.7
69.46085	11.1
69.46493	47.3
71.01380	18.3
72.75305	7.1
73.02945	18.8
75.00875	24.2
76.03562	6.1
81.18784	7.0
82.37611	6.8
85.02943	28.8
89.02424	10.8
101.02432	22.4
113.02457	18.3
146.21661	6.7
161.02420	7.2
177.05554	6.6
179.96846	7.1
216.76274	6.4
222.05087	6.9
393.25311	7.2
449.40527	8.0
453.06461	9.5
453.22540	66.8
453.28207	10.7
454.21786	8.6
462.19916	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	453.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.0
55.81042	0.6
57.03449	1.1
57.37354	0.6
58.00595	1.4
59.01384	100.0
59.44629	0.8
60.01735	1.1
61.98833	2.9
67.90179	0.6
69.03466	1.4
71.01389	42.0
72.01730	1.0
72.99293	1.2
73.02954	48.9
74.03278	1.2
75.00867	3.4
83.01392	14.6
85.02961	6.2
87.00914	1.2
89.02467	8.3
91.66734	0.7
93.21954	0.8
95.01386	1.7
97.02938	0.8
99.00867	1.1
101.02451	50.0
102.02813	1.6
105.60921	0.7
113.02458	14.9
119.03526	3.1
125.02487	2.6
131.03540	3.4
143.03535	4.6
149.04567	2.8
155.03505	2.5
161.02557	1.4
161.04558	11.2
162.04936	0.8
187.14937	5.9
203.05525	1.0
221.06773	1.4
231.13916	28.3
232.14337	2.5
297.79694	0.6
306.30518	0.7
333.61169	0.8
367.21390	2.8
393.19254	1.2
411.20514	1.3
435.23849	0.8
453.21436	7.2
454.21429	1.4
456.68695	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.1
57.03447	1.5
58.00595	1.6
59.01385	100.0
59.28263	0.6
60.01728	0.8
64.40504	0.6
69.03481	1.5
70.78900	1.8
71.01390	40.3
72.99326	2.8
73.02955	42.8
75.00885	2.2
78.21665	0.7
81.03473	0.8
83.01397	14.8
84.09893	0.7
85.02959	7.6
87.00878	1.4
89.02451	14.6
91.17677	0.5
95.01402	1.9
97.02974	1.4
99.00905	1.7
99.04570	1.1
101.02454	46.2
102.02818	0.9
113.02459	14.6
119.03520	5.4
125.02479	2.4
131.03548	2.8
143.03503	4.2
149.04582	3.2
155.03580	0.9
159.02914	0.8
161.04572	12.4
170.52414	0.7
179.05579	1.2
187.14926	14.1
188.15318	1.3
202.07379	0.6
203.82338	0.7
231.13927	9.2
232.14166	0.7
249.15051	0.8
259.04074	0.7
365.23184	0.9
367.21368	4.0
393.19165	3.9
409.22467	1.8
411.20627	1.9
453.20953	15.4
454.21899	2.5
457.11188	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	21.4
60.01717	3.7
61.01804	1.8
61.98835	100.0
64.14619	0.7
65.42312	0.6
69.67384	1.3
69.67792	3.4
71.01382	4.8
73.02947	1.8
74.41644	0.7
75.00876	8.3
75.91580	0.6
83.01413	1.1
85.02965	2.0
87.20961	0.8
89.02461	2.9
99.00852	1.0
101.02457	4.3
109.02962	1.8
113.02464	1.7
114.02789	0.8
119.03519	1.0
125.02498	0.9
135.04538	2.1
143.03535	0.8
145.02950	1.0
151.00404	1.0
161.02473	3.0
161.04568	2.5
175.04089	0.8
215.00052	0.7
241.05231	0.9
271.02405	0.9
284.01318	0.8
289.07126	1.0
307.17596	7.0
392.23660	1.1
404.55719	0.9
453.09836	1.0
453.23721	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	452.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
69.37724	11.1
78.95906	1.8
79.13831	1.2
96.95961	1.1
98.20583	2.3
112.04782	1.1
145.02968	4.3
223.57881	1.3
232.13257	1.6
255.23331	12.9
256.23553	1.7
352.72974	1.3
389.23413	2.3
413.86191	1.4
452.27997	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2782
Annotation	LysoPE(0:0/16:0)
Peak:m/z	Relative Intensity
50.78278	0.2
62.96393	0.2
69.35898	1.6
78.95908	18.7
96.96943	0.2
98.19926	0.5
99.70073	0.2
122.00158	1.2
134.98524	0.2
136.94746	0.2
140.01189	4.5
152.99614	1.4
159.96915	0.2
160.81529	0.2
166.02673	0.2
196.03809	9.7
197.04066	0.3
214.04817	1.9
237.22217	0.3
255.23300	100.0
256.23633	9.6
284.03275	0.2
351.80832	0.2
353.19382	0.2
452.27832	24.4
453.28207	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	453.213
Annotation	[3aR-[3aalpha,5(S*),7aalpha]]-5-[4-[(6-O-acetyl-beta-D-glucopyranosyl)oxy]-1-methylbutyl]-3a,4,7,7a-tetrahydro-6-methyl-3-methylene-2(3H)-benzofuranone
Peak:m/z	Relative Intensity
54.53245	0.7
57.03443	1.4
58.00593	1.6
58.26532	0.6
58.32434	0.7
59.01381	100.0
60.21620	0.7
61.98836	0.9
64.66539	0.8
69.03471	2.1
71.01384	34.8
71.61689	0.8
72.99316	1.9
73.02950	36.8
75.00887	4.0
81.03482	0.9
83.00661	0.8
83.01395	12.3
85.02972	4.7
87.00883	1.9
89.02440	9.8
95.01403	1.5
101.02449	38.8
103.00384	1.4
103.04015	1.9
112.36181	0.8
113.02453	13.9
119.03547	3.8
119.05055	1.2
124.81608	0.7
125.02441	1.4
131.03485	4.4
139.10751	0.7
143.03546	2.6
145.02957	1.4
149.04570	4.3
149.48248	0.8
161.04559	7.3
221.06674	0.8
229.06320	1.0
231.13860	0.9
251.16580	0.9
398.81403	0.9
435.27792	1.4
447.29916	0.7
453.21362	1.4
453.29126	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.214
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02255	0.4
59.01381	7.2
60.01722	0.9
61.01812	0.6
61.98836	100.0
66.54199	0.4
69.59026	1.0
69.59445	1.8
71.01397	1.7
75.00872	3.7
78.20856	0.4
81.61240	0.4
89.02448	2.1
90.02818	0.7
97.76295	0.4
98.12097	0.4
101.02478	0.8
113.02428	0.6
135.04550	0.8
145.02977	0.6
149.72362	0.4
161.02425	2.6
161.04626	0.6
179.05658	0.5
250.40216	0.5
251.92152	0.6
254.15318	0.5
264.30524	0.5
271.02579	0.5
295.74066	0.5
300.02548	0.8
364.17163	0.6
447.67484	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08697	42.2
64.05068	47.8
67.93935	46.8
68.94106	50.3
70.87830	49.0
75.00899	83.3
98.20741	100.0
114.68224	45.9
119.32117	43.9
126.61266	45.3
172.67694	45.5
182.90479	45.6
259.20731	61.9
368.96616	53.8
389.19516	53.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64894	1.0
59.01382	58.6
60.01714	7.3
61.01805	7.0
61.98835	100.0
67.38210	1.0
69.38973	6.0
69.39392	3.3
69.89504	1.4
71.01399	6.4
73.02948	4.2
75.00873	9.8
80.12926	1.1
85.89780	1.1
87.00912	1.0
89.02451	2.6
93.03464	1.3
96.54669	1.1
98.90330	1.1
101.02441	3.7
113.02481	2.7
119.05042	2.2
135.04529	1.8
145.02971	2.7
154.01418	2.2
161.02441	4.7
161.04523	1.1
179.03519	1.8
187.11287	4.8
227.03468	1.2
231.10327	2.9
237.04056	1.0
243.06712	1.3
255.02959	2.0
271.02429	2.4
285.04074	1.9
300.02869	2.3
301.03546	1.8
392.23053	3.7
452.25247	1.9
454.11993	1.3
463.09018	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.318
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32489	0.9
59.01384	100.0
61.98845	1.0
68.67162	0.9
71.61551	1.1
72.65785	0.9
75.00879	1.4
78.95912	3.0
80.97449	1.0
81.03465	3.6
83.05032	15.9
88.73437	0.9
96.95980	1.6
110.77088	0.8
326.47388	1.0
391.29675	42.5
392.30005	8.2
451.15466	3.7
451.26816	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26958	0.6
55.08689	0.6
58.23759	0.6
59.01393	12.5
61.98837	100.0
71.01383	3.2
71.40987	1.0
73.02951	1.2
75.00883	12.7
76.35146	0.6
83.01434	0.7
85.02975	1.4
89.02470	1.6
101.02475	3.2
109.02969	18.4
109.03680	1.2
110.03283	6.7
113.02470	1.6
121.03004	1.1
123.04586	0.7
133.03087	0.7
135.00848	0.7
135.04550	1.0
145.03021	1.7
149.06223	0.8
151.00406	0.9
153.01956	20.5
154.02298	8.8
161.02483	2.6
167.45732	0.7
189.98186	0.6
205.41898	0.7
230.05946	0.7
247.09914	1.4
248.80034	0.8
253.05214	0.8
279.02960	1.4
297.06210	4.7
298.06552	10.7
299.06763	1.3
347.20532	0.7
389.18198	34.0
390.18536	4.3
452.08981	4.2
454.01767	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63053	0.4
59.01381	100.0
60.01719	1.5
60.48210	0.5
61.98834	2.4
71.01382	4.4
72.37151	0.4
73.02957	1.5
75.00874	2.6
83.01399	0.7
85.02964	2.3
89.02447	2.2
99.00913	0.9
101.02441	3.9
108.02155	0.6
109.02974	3.5
113.02454	2.3
119.03557	1.1
119.04981	0.6
125.02505	0.5
135.04593	0.5
145.02988	0.8
151.00400	0.9
151.04037	0.4
152.01176	0.7
153.01974	2.7
155.10738	0.5
159.03020	0.5
161.02473	1.0
161.04553	4.5
229.18233	1.1
391.23416	6.0
392.23709	0.7
404.83035	0.4
407.09924	0.9
451.08502	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16702	1.2
52.73719	1.4
55.00819	1.4
57.02409	1.4
58.26138	1.3
59.01385	100.0
59.06804	1.3
61.98846	1.4
65.66064	1.3
66.17686	1.5
68.65676	1.3
71.05036	1.9
73.02951	1.4
75.00876	4.0
78.95911	2.6
81.03478	5.6
81.35015	1.2
83.05034	15.2
87.74267	1.4
90.68178	1.2
96.96026	1.4
114.35262	1.3
127.51173	1.2
139.91443	1.7
229.18277	1.7
325.23767	2.1
391.29694	35.3
392.29907	6.8
409.25934	1.5
451.15662	2.4
451.26407	15.6
452.26944	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	451.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39241	0.4
51.76601	0.3
55.01876	0.3
59.01386	2.5
69.13643	0.4
69.31636	3.6
78.95919	0.4
87.00880	0.7
87.04519	0.4
91.04017	0.5
96.95998	0.5
105.01942	0.9
105.64259	0.4
106.04295	0.5
110.96105	0.4
117.03470	1.5
121.02981	0.9
124.43320	0.4
132.02147	0.8
133.02959	23.8
134.03784	6.6
135.04527	14.8
136.04897	0.6
137.02460	3.1
139.04034	1.0
148.05310	0.9
160.01678	0.7
161.02444	100.0
162.02789	5.7
163.04063	0.3
169.15981	0.6
176.32040	0.3
178.02713	0.5
179.03493	5.4
215.16505	10.2
215.18491	0.5
235.06029	1.0
291.19711	5.0
292.19995	0.7
359.18637	49.5
360.19016	6.7
377.19678	17.0
378.20016	2.4
409.26093	4.0
410.26208	0.6
451.23337	69.3
452.23663	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	451.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	0.4
59.01384	2.5
61.91018	0.3
71.01388	0.5
71.19359	0.7
71.53207	0.3
74.39154	0.3
75.00909	0.3
75.55133	0.3
79.56310	0.3
83.47852	0.3
83.92122	0.3
87.00870	0.8
87.04519	1.1
87.35586	0.3
89.02459	0.4
91.04009	0.3
96.95969	0.5
105.01937	1.3
107.05007	0.3
117.03486	1.4
121.02951	0.8
132.02180	0.5
133.02960	21.1
133.79871	0.3
134.03798	5.6
135.04538	15.8
136.04840	1.0
137.02440	3.5
139.04012	1.3
148.05316	0.7
150.03212	0.5
160.01649	0.3
161.02452	100.0
162.02773	5.6
163.03891	0.3
169.16026	0.4
178.02728	0.6
179.03493	4.8
215.16516	8.8
216.16919	0.8
235.06187	1.2
270.16797	0.3
288.05981	0.4
291.19672	5.5
292.19934	0.4
315.19412	0.4
318.89929	0.3
359.18646	45.0
360.18951	6.1
377.19711	15.1
378.20135	2.1
409.25958	8.7
410.26151	0.9
451.23306	66.9
452.23608	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	451.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	52.3
60.01698	1.4
61.01801	0.7
61.98836	6.2
65.00330	0.8
67.01880	1.0
69.03438	0.8
71.01384	10.1
71.41367	1.3
72.99310	1.0
73.02942	1.9
75.00880	6.0
81.03481	1.2
83.01382	2.2
85.02963	4.0
85.32076	0.6
87.00864	0.8
89.02442	3.0
91.01891	1.0
95.01382	2.0
96.90176	0.7
97.02928	0.7
99.00895	1.1
101.02451	4.2
103.34856	0.6
107.01421	1.6
108.02180	39.2
109.02964	48.6
110.03286	1.6
111.00898	1.1
113.02451	3.6
119.03498	1.0
121.02894	1.0
123.00876	1.3
123.04551	1.2
124.66432	0.6
125.02419	2.0
133.02960	0.9
135.00883	1.5
135.04474	2.2
137.02399	1.0
145.02925	1.8
147.04437	0.8
149.02339	0.7
151.00333	1.3
151.03967	1.5
152.01158	43.2
153.01945	59.4
154.02263	3.4
161.02452	2.0
161.04547	2.7
163.04007	2.4
165.01952	0.9
177.01895	1.1
185.06024	0.9
195.02948	2.5
207.03056	0.8
215.96085	0.7
289.03580	1.1
297.06174	12.4
298.06546	1.1
315.07239	8.9
331.17834	0.9
349.18555	1.8
382.57080	0.8
390.85968	0.9
391.19205	1.1
391.23608	1.5
407.09821	16.9
408.10367	1.2
436.25046	0.8
451.08798	100.0
452.09085	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	32.1
60.01712	0.8
61.01777	0.9
61.98838	4.5
68.99814	0.6
69.80167	1.8
69.80582	1.6
71.01383	7.5
72.99322	1.0
73.02944	1.8
75.00874	6.8
81.03471	1.5
83.01395	1.1
85.02966	3.7
86.83556	0.6
89.02447	2.6
91.01873	0.6
91.49027	0.5
93.03451	0.9
95.01393	2.5
97.02965	0.7
99.00891	1.4
101.02436	4.9
107.01376	1.6
108.02181	36.0
109.02966	47.9
110.03293	1.7
111.00889	0.7
113.02483	3.1
119.03503	0.8
121.03009	0.8
123.00879	2.7
124.01687	0.9
125.02432	2.5
133.02942	0.8
135.00894	1.9
135.04524	1.8
137.02434	1.3
145.02950	1.9
151.00407	2.6
151.03996	1.6
151.99350	0.8
152.01164	49.2
153.01949	61.9
154.02284	2.5
161.02448	3.0
161.04550	1.6
163.04010	2.1
165.01819	0.6
175.03922	0.9
177.01880	1.0
193.52136	0.5
195.02959	2.4
205.31036	0.6
225.03938	0.7
227.03419	0.7
237.04132	1.3
253.30270	0.6
279.02795	0.9
281.15851	0.5
289.03384	0.6
289.06503	1.0
297.06186	12.3
315.07202	9.7
316.07742	0.8
349.18573	0.9
375.33969	0.5
397.17511	0.7
407.09882	14.7
408.10046	2.1
433.07776	0.8
451.08807	100.0
452.09171	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	449.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73046	0.4
59.01373	1.1
62.80816	0.4
66.77477	0.4
70.67606	0.3
71.89947	0.4
89.02468	0.8
91.04034	0.6
117.03471	17.6
118.03770	0.5
119.05029	9.4
121.02980	2.5
123.04511	0.5
133.02939	0.5
138.91023	0.4
145.02957	100.0
146.03285	5.6
162.03256	0.4
163.04021	4.9
229.18065	8.2
230.18492	0.8
289.21738	3.7
313.21695	0.7
357.20709	19.7
358.21048	3.5
375.21762	18.0
376.22122	2.8
449.25436	35.9
450.25742	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	0.7
57.76410	0.3
57.94720	0.3
59.01385	13.3
60.01722	1.0
61.01807	0.6
61.98836	26.5
63.38524	0.3
67.77863	0.4
70.92295	1.0
71.01386	4.0
73.02943	0.9
73.64116	0.3
75.00883	4.0
78.43070	0.3
81.03477	0.8
83.01383	0.9
85.02962	1.3
89.02453	1.7
91.01894	0.8
95.01382	0.5
99.00891	0.6
101.02454	2.6
107.01391	0.5
108.02172	3.1
109.02960	80.3
110.03315	2.9
111.00938	0.5
113.02451	1.6
119.03488	0.8
119.05119	0.4
121.02958	0.5
125.02429	1.1
126.53403	0.3
135.00935	0.5
135.04530	1.5
136.04829	0.6
141.09238	0.8
143.03532	0.5
145.02954	1.0
151.00371	1.4
152.01106	1.6
153.01947	100.0
154.02293	3.9
161.02426	1.2
161.04602	0.5
177.01933	0.5
180.67761	0.4
187.04066	0.4
187.70755	0.4
195.02992	1.3
203.09212	0.9
229.14514	0.8
237.04007	0.5
279.03049	0.4
287.05704	0.7
288.06006	0.5
289.03503	1.4
289.06381	0.6
297.06168	52.6
298.06467	4.4
315.07111	1.3
337.12042	0.4
389.18207	4.5
451.08749	14.9
452.09100	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	1.8
57.03447	2.2
58.00592	2.1
59.01382	100.0
60.01715	1.7
61.98820	0.8
71.01384	22.2
71.17000	1.3
72.99324	2.0
73.02952	4.8
75.00878	4.1
78.95892	0.7
81.03488	2.4
83.01418	2.8
83.05055	1.1
85.02956	7.2
85.03365	0.7
87.00898	1.0
89.02448	14.3
89.02991	0.8
95.01438	1.5
97.02949	0.6
99.00917	1.7
101.02448	15.1
101.03061	0.9
111.00962	0.7
113.02473	8.4
119.03528	5.6
119.05090	0.8
119.54950	0.6
121.03012	1.2
125.02453	6.3
131.03587	1.3
133.02980	0.8
135.04626	1.1
143.03560	1.9
145.02995	1.4
159.03070	1.0
161.02451	0.6
161.04570	4.0
163.06247	2.2
179.03665	0.7
179.05664	1.5
182.03995	0.6
185.06178	1.3
193.48590	0.6
207.17528	6.9
225.18599	25.0
226.19113	2.1
251.16608	0.9
268.16742	0.6
269.17590	40.2
269.20953	1.8
270.17932	3.3
287.22278	9.4
288.22723	1.2
301.17496	0.7
317.20004	0.7
323.18982	2.7
373.16010	1.9
389.22211	2.8
405.10016	0.8
431.27298	0.8
449.10934	1.7
449.28220	40.1
450.28534	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	449.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82475	0.2
59.01387	1.9
69.42033	0.5
69.42441	1.0
71.01365	0.3
78.03070	0.2
78.47247	0.2
79.23418	0.2
81.96537	0.2
89.02450	0.8
91.04048	0.9
117.03473	19.5
117.07101	0.2
118.03806	0.7
119.05031	10.6
120.05360	0.6
121.02966	2.9
123.04545	0.8
126.42330	0.2
132.05913	0.2
133.02985	0.8
134.03722	0.2
145.02962	100.0
146.03304	5.0
154.25584	0.2
156.05722	0.2
161.21599	0.2
162.03238	0.3
163.04027	5.1
164.04431	0.4
183.17604	0.5
229.18085	8.5
230.18440	0.5
262.30865	0.2
285.22162	0.3
289.21738	3.6
290.22040	0.4
313.21869	0.9
357.20728	24.2
358.21109	2.8
375.21771	17.7
376.22095	2.5
402.80759	0.2
436.62967	0.2
449.25455	35.6
450.25790	5.7
460.33249	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00610	0.8
58.24999	0.5
59.01382	100.0
60.01720	1.5
69.40447	1.0
69.40841	4.6
71.01381	12.6
72.99361	0.6
73.02951	1.2
74.16098	0.5
83.01419	0.6
84.26157	0.5
85.02966	2.4
89.02449	16.5
94.47875	0.5
95.01412	0.6
101.02441	7.0
113.02449	5.2
113.56432	0.5
114.02793	0.7
119.03517	6.2
143.03526	1.5
161.04582	3.8
179.05611	5.7
193.01524	0.5
198.49069	0.6
217.16043	0.6
349.18106	0.6
389.21783	6.2
390.22293	1.1
450.24554	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.6
57.03449	2.4
59.01385	100.0
60.01701	1.5
61.98850	1.6
68.44184	1.0
70.29634	3.5
70.54115	1.0
71.01389	26.1
73.02951	6.9
83.01394	5.0
83.05052	1.0
85.02960	10.5
87.00883	1.4
89.02454	10.1
98.36333	1.1
99.00899	2.5
101.02459	25.1
107.58348	1.2
113.02461	10.5
119.03493	4.7
125.02441	2.0
140.54095	1.1
141.66513	1.2
143.03539	2.5
147.11870	1.5
149.04591	1.9
151.00386	3.1
159.02979	3.4
161.04562	31.7
161.05876	2.3
178.99890	1.4
179.05621	4.3
197.15485	1.7
209.15430	1.3
227.16530	8.6
265.17960	1.2
302.03732	1.2
325.48859	1.1
332.23291	1.1
340.65308	1.0
389.21835	28.9
390.22107	5.6
405.61841	1.1
405.67102	1.2
433.21030	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46706	1.3
55.01893	2.1
56.26600	1.3
59.01384	100.0
60.01722	1.5
61.98830	1.9
66.84171	1.1
69.49551	7.0
69.49944	1.7
71.01385	27.2
73.02938	10.3
73.66333	1.1
83.01382	3.9
85.02956	10.6
86.12260	1.1
87.00907	1.9
89.02460	6.5
98.02966	1.1
99.00879	3.2
99.04501	1.6
101.02448	22.8
113.02470	12.7
119.03539	1.9
130.28743	1.1
137.02467	2.7
143.03511	2.2
147.73241	0.9
154.73697	1.2
159.02977	4.0
161.04575	21.8
179.05627	1.0
287.05576	2.3
302.78854	1.3
389.21863	59.7
390.22083	7.3
465.12659	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2187
Annotation	Leucophyllin C
Peak:m/z	Relative Intensity
57.03455	21.4
59.01390	12.7
69.41882	8.1
71.01380	2.3
71.17480	0.8
75.00862	1.2
78.95921	7.2
81.03468	48.6
83.01397	8.0
85.02966	2.1
87.15479	0.8
95.01402	2.4
97.02976	2.5
97.06647	0.9
107.05015	1.6
108.02219	1.1
109.02980	2.0
109.06584	0.9
111.00915	2.1
113.02425	1.7
123.04550	2.9
125.02456	100.0
126.02809	4.3
135.04539	1.2
137.02455	1.3
145.03064	1.2
148.05228	1.1
167.03503	8.0
181.15952	1.2
190.71881	0.9
195.17574	1.3
207.17632	1.1
211.17035	1.9
219.17551	1.4
221.15520	4.4
237.18652	2.0
239.16423	1.5
255.19679	2.5
261.18542	5.5
275.20288	1.2
279.19675	16.8
280.20016	1.9
281.17615	12.5
301.21585	1.9
303.19592	4.5
305.17557	5.4
316.02307	1.0
319.22766	2.6
321.20630	7.3
323.18640	47.8
324.19113	5.2
343.22836	2.1
345.20700	3.2
347.18591	4.0
361.16422	1.2
361.23972	2.6
363.21729	4.7
369.20770	1.4
375.17963	1.1
387.21817	11.1
388.22293	1.1
405.22861	24.7
406.23294	4.1
407.20566	1.0
413.19644	1.6
431.20847	11.4
432.21378	1.3
449.21814	28.5
449.27469	2.0
450.22165	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	449.1503
Annotation	Suvorexant
Peak:m/z	Relative Intensity
59.01384	1.9
61.67031	0.6
62.96414	26.0
69.26096	6.7
74.13168	0.6
78.95908	58.4
80.96368	1.2
80.97475	33.1
92.84389	0.6
96.96986	0.9
98.20718	1.1
109.80145	0.6
135.08234	0.9
149.00096	17.4
158.41527	0.6
179.01149	2.7
192.03737	0.6
200.94931	0.7
205.15976	9.2
206.16275	0.7
242.98187	6.1
285.12711	2.6
355.16812	18.7
356.17166	2.1
385.12866	1.4
385.17834	22.1
386.18362	3.4
431.14517	0.7
449.14981	100.0
450.15341	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.348
Annotation	Irisoquin E
Peak:m/z	Relative Intensity
59.01385	0.9
61.98847	0.6
65.71020	0.3
69.89753	0.4
69.90099	1.7
78.33404	0.3
92.53242	0.3
96.95985	0.4
110.67461	0.3
137.06093	20.9
137.24500	0.3
138.06424	0.9
152.04797	0.4
165.05571	100.0
166.05919	4.7
271.02414	0.4
299.99258	1.0
301.00009	0.4
301.03278	0.4
447.05020	0.5
447.34799	31.9
448.35211	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	448.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.5
59.01384	52.5
60.01723	2.3
61.01804	0.9
61.98835	100.0
71.01389	4.7
71.61539	0.4
72.01710	0.4
73.02961	1.1
74.02498	0.8
75.00885	2.0
83.01369	0.6
85.02965	1.2
89.02449	6.9
90.02790	0.5
93.03520	0.5
93.65588	0.4
95.01421	0.4
101.02465	3.5
109.02957	0.8
111.54427	0.4
113.02451	1.8
118.36166	0.4
119.03522	2.4
119.05016	1.0
121.02942	1.4
125.02483	0.5
129.10326	0.7
131.03465	0.4
135.04532	1.8
143.03502	0.6
145.02983	3.1
146.03362	0.5
151.00328	0.5
159.04532	2.9
160.04819	0.4
161.02382	0.4
161.04575	0.8
163.03940	1.0
174.26210	0.4
177.05511	0.4
179.05638	1.7
180.05850	0.4
186.12344	0.4
201.05479	1.2
221.04436	0.8
227.12746	1.1
243.06586	0.5
243.15800	0.5
245.04616	2.7
287.01965	0.7
287.05432	2.2
329.06436	0.9
388.20535	2.3
389.21179	0.5
406.21359	0.9
448.09354	0.5
449.24411	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.0
57.03456	4.0
58.00603	0.7
59.01385	33.6
65.00320	0.7
69.03464	1.1
69.46704	3.5
71.01388	13.3
72.99320	2.1
73.02953	5.0
75.00881	1.3
79.62272	0.6
81.03465	2.8
83.01387	5.7
85.02957	6.7
86.00081	0.7
87.00896	3.4
89.02445	1.4
95.01391	1.8
97.02953	0.8
98.20569	1.2
99.00903	1.7
101.02449	9.0
111.00872	1.1
113.02441	3.2
116.78954	0.6
123.04532	7.9
123.60323	0.5
124.01670	1.2
125.02457	26.6
126.02840	1.0
143.03465	0.8
148.05295	0.8
151.00327	1.0
167.03510	17.5
167.04906	1.2
168.03911	0.6
174.28012	0.5
197.19113	1.6
211.13380	0.9
225.18590	1.5
227.03395	0.8
235.17029	1.0
241.18002	0.7
243.19644	35.3
244.20038	3.4
255.03011	1.8
255.19716	0.9
257.21280	1.0
271.02448	2.3
279.16022	1.8
284.03223	1.4
285.03931	0.7
285.20740	1.8
300.02679	3.4
301.03613	3.0
303.15869	0.7
385.20111	0.7
387.23904	22.4
388.24197	1.6
403.21304	4.5
405.24957	48.9
406.25262	8.4
429.19354	3.1
429.24393	0.9
430.19556	0.8
447.09592	5.0
447.20914	4.0
447.25983	100.0
448.20792	0.8
448.26340	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	447.2601
Annotation	N-Acetyl-leu-leu-tyr-amide
Peak:m/z	Relative Intensity
55.01879	1.0
57.03446	1.0
58.00593	0.5
59.01385	31.8
69.03467	1.0
70.00542	2.6
71.01389	12.7
72.09640	0.5
72.99310	1.7
73.02960	3.7
75.00880	3.3
83.01383	2.8
85.02954	5.4
87.00882	2.9
89.02454	1.4
95.01387	1.4
97.02964	1.1
99.00885	2.8
101.02451	6.6
109.02940	0.9
111.00847	1.1
113.02459	2.8
119.03515	0.6
121.04550	0.5
124.01631	0.8
125.02452	2.2
133.02965	1.0
135.04494	0.6
137.02333	0.5
143.03448	0.7
147.04506	1.8
148.05316	10.7
150.03288	0.6
160.01675	0.8
161.02415	0.8
167.57254	0.5
178.99895	0.6
191.03566	1.5
197.06085	0.7
205.04829	2.0
211.13405	2.7
225.18695	1.1
227.03441	2.2
239.20058	0.6
241.18173	0.5
243.02956	0.8
243.19649	44.7
244.19987	2.9
255.03024	3.9
255.19603	1.2
257.21228	1.4
271.02524	3.2
283.13412	0.6
284.03253	1.8
285.03973	1.0
285.20752	1.2
299.99112	5.3
300.02771	5.5
300.99863	1.4
301.03503	4.0
309.14935	0.7
327.16010	2.1
343.15277	0.5
345.17215	0.7
353.14075	1.3
363.83286	0.4
371.15018	5.2
372.15295	0.6
377.29468	0.6
387.23947	15.9
388.24118	2.2
389.15915	0.6
405.24942	54.3
406.25299	6.6
447.10043	6.0
447.26004	100.0
448.26379	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80996	0.4
55.01881	0.5
57.03452	2.1
58.00592	1.0
59.01383	100.0
60.01720	1.1
61.70004	0.4
69.03452	0.6
70.19651	1.4
71.00991	0.7
71.01387	13.2
71.12272	0.4
72.99322	0.8
73.02953	11.3
75.00890	1.6
79.54728	0.3
83.01384	2.8
85.02948	3.2
86.97527	0.4
89.02450	7.2
89.30688	0.4
91.61524	0.4
93.03471	0.4
95.01383	0.6
96.96035	0.8
96.96958	0.5
97.77061	0.4
98.19839	0.4
99.00887	0.6
101.02449	9.7
101.03084	0.7
102.02790	0.4
109.02958	0.9
113.02467	9.5
114.02810	0.4
116.92835	0.4
119.03499	2.6
125.02499	0.7
131.03548	0.8
143.03535	0.9
159.04590	0.4
161.04559	3.7
167.10803	0.8
175.04004	0.4
179.05690	1.1
223.89244	0.4
225.14934	0.4
231.22537	0.3
265.08798	0.9
283.08896	0.5
285.04208	0.9
299.99326	0.8
365.32626	0.4
387.20132	3.9
388.20889	0.6
405.21133	1.8
447.09692	1.1
447.23038	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47710	0.3
59.01373	1.6
66.12452	0.3
69.47691	0.4
69.48097	1.9
70.02182	0.3
71.01376	0.3
78.95908	5.6
84.47673	0.3
103.96413	0.2
110.98526	4.5
152.99585	0.7
167.01143	2.2
185.02179	3.3
196.17564	0.3
255.02881	1.1
271.02484	0.9
279.23279	100.0
280.23627	11.3
284.03421	0.4
299.99063	0.9
300.02737	1.7
300.99921	0.4
301.03494	1.5
447.09836	1.6
447.25089	6.2
448.25366	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.4
57.03433	1.8
58.00599	0.8
59.01384	34.8
68.99836	0.7
69.03466	1.2
70.01355	2.5
71.01386	14.7
72.99315	2.4
73.02950	5.2
75.00877	4.7
83.01383	2.7
85.02951	8.8
87.00877	4.0
89.02464	3.1
95.01398	1.1
99.00896	3.9
101.02451	8.8
102.06544	0.5
108.02164	0.6
109.02941	0.8
111.00872	1.2
112.01691	0.9
113.02446	5.4
117.41464	0.5
119.05020	0.6
123.04541	0.9
124.01682	1.7
125.02444	2.1
133.03014	0.5
135.04541	1.4
143.03465	0.5
147.04561	1.1
148.05316	5.8
150.03238	0.6
151.00404	1.5
160.01642	0.7
161.02437	0.5
177.05534	0.7
178.99879	0.8
187.07567	0.5
188.57468	0.5
197.19116	1.0
201.78113	0.5
211.13429	2.4
225.18573	2.0
227.03586	2.6
228.03952	0.8
233.08191	0.9
243.02972	0.9
243.19653	38.0
244.20035	2.7
255.03047	5.0
255.19713	1.2
256.03427	0.9
257.21243	0.6
271.02426	4.5
274.08380	0.8
284.03271	2.9
285.03952	1.7
285.20627	1.4
299.99121	2.5
300.02805	7.7
301.00089	1.0
301.03516	6.0
302.03699	0.8
311.25964	1.6
327.15921	1.3
353.13937	0.7
371.14963	2.6
387.23898	22.7
388.24243	3.2
405.24945	56.8
406.25272	8.6
447.09729	8.9
447.25961	100.0
447.30914	5.5
448.09674	1.2
448.26346	15.4
448.31451	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94025	0.6
59.01384	100.0
60.01716	1.2
61.98836	2.3
68.69887	0.6
69.77349	3.6
71.01390	17.9
72.99313	0.7
73.02953	1.8
74.91441	0.6
75.00887	3.4
83.01406	0.7
85.02937	3.0
87.00886	0.8
89.02452	20.6
89.02995	1.0
90.02811	0.8
93.03439	0.7
95.01438	0.7
98.20520	1.2
101.02443	8.8
106.21694	0.7
113.02447	7.0
114.84925	0.6
119.03522	9.6
119.05036	0.9
127.63714	0.7
131.03511	0.7
143.03551	2.3
144.03952	0.6
145.02950	0.8
149.04535	1.3
161.04564	4.6
179.05611	6.7
180.06129	0.8
244.63486	0.6
249.40558	0.7
281.08420	1.0
285.04242	1.5
387.20193	7.2
405.21231	0.9
447.09924	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.0
59.01383	100.0
60.01714	1.4
61.98827	0.3
62.69119	0.3
71.01389	6.6
71.01764	0.5
72.58178	0.3
72.99351	0.5
73.02955	6.2
75.00893	0.5
83.01393	1.2
85.02954	1.8
89.02453	3.8
92.31908	0.3
95.01383	0.5
95.02327	0.3
99.00896	0.3
101.02454	5.2
113.02480	4.0
119.03517	1.0
121.82967	0.4
125.02507	0.5
138.47527	0.3
153.09108	0.4
161.04596	0.8
286.34375	0.4
303.44031	0.4
387.20206	1.8
405.21045	0.4
447.22574	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60968	0.7
55.01886	3.2
57.03455	2.4
58.00607	1.0
59.01385	100.0
60.01719	1.1
65.37819	0.6
69.03456	1.4
70.78868	0.7
70.79198	1.3
71.01392	21.6
71.05016	0.8
72.99323	0.9
73.02953	12.8
74.14598	0.7
75.00903	0.8
81.03499	0.8
83.01389	8.0
85.02960	11.2
85.45718	0.6
87.00889	2.4
89.02448	6.0
95.01422	1.7
97.02993	2.0
99.00887	3.9
101.02454	33.4
101.06099	1.2
102.02837	0.7
108.32449	0.7
111.00916	1.4
113.02463	7.8
119.03520	1.9
119.62085	0.7
121.10236	0.8
125.02474	2.4
128.05716	0.6
139.11311	0.9
143.03557	4.0
161.04556	7.3
161.09789	1.0
163.11301	18.5
164.11696	1.0
179.10808	1.5
181.12404	2.8
223.13495	1.9
225.15134	0.7
240.92340	0.8
243.16016	13.1
244.16458	0.8
285.17294	2.6
325.16608	0.9
339.18243	1.4
387.20258	11.5
388.20944	1.0
405.21289	36.2
406.21729	4.9
447.22427	5.6
448.22653	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82957	0.4
59.01382	100.0
60.01718	1.3
71.01382	12.4
72.99340	0.5
73.02955	6.6
83.01424	1.3
85.02964	3.0
87.00889	0.5
89.02452	7.2
95.01411	1.1
101.02450	7.9
101.03077	0.7
113.02460	7.7
113.28169	0.4
119.03507	2.6
130.03596	0.5
131.03493	0.8
138.80037	0.5
139.07603	0.6
143.03497	0.9
149.04668	0.5
153.09209	2.5
161.04625	2.4
167.62166	0.4
179.05659	1.1
188.74953	0.5
243.16037	1.9
315.14182	0.6
387.20282	5.0
405.21301	2.2
406.21640	0.6
431.70508	0.4
447.22595	0.8
457.24203	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16542	0.4
57.03458	0.6
58.00614	0.6
59.01383	100.0
60.01725	1.1
61.98833	0.5
65.54649	0.4
69.73946	2.2
70.84960	0.4
71.01390	9.2
71.01766	0.7
72.34364	0.3
72.99321	0.5
73.02970	1.8
75.00890	0.9
77.79918	0.3
78.96643	0.3
82.34156	0.4
83.01405	0.9
85.02935	2.3
89.02454	8.9
95.01416	0.6
99.00869	0.4
101.02444	5.5
101.28956	0.4
109.02958	0.5
113.02449	3.9
119.03520	3.9
131.03560	0.5
143.03511	0.9
149.04613	0.5
161.04523	2.6
163.11322	0.5
167.46217	0.4
179.05644	1.8
189.12872	0.8
207.13884	0.6
225.15182	0.5
243.15956	0.5
281.08380	0.6
318.68997	0.4
345.71164	0.4
387.20282	7.8
388.20724	1.0
405.21317	0.9
447.09964	0.5
447.22260	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2236
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
55.01890	6.3
57.03465	5.3
58.00588	2.7
59.01383	61.3
59.46521	0.8
63.08483	0.7
69.03455	2.6
69.42553	3.1
69.42986	3.2
71.01385	94.3
71.99191	0.7
72.01727	2.2
72.54413	0.7
72.99306	3.2
73.02953	37.8
75.00868	3.2
78.95903	1.2
81.03429	1.0
83.01390	9.8
85.02955	37.7
86.03288	1.4
87.00871	4.5
89.02451	37.7
91.48729	0.8
94.04762	0.8
95.01391	5.8
96.96011	11.7
96.96958	2.2
97.02968	4.5
99.00883	19.8
100.84061	0.7
101.02448	54.3
102.02782	1.2
111.00868	1.1
113.02455	33.2
115.03984	2.8
119.03518	5.9
125.02468	6.9
129.01918	1.9
131.03516	5.7
143.03497	5.5
149.04550	8.4
159.02992	5.8
161.04562	53.7
162.04869	2.2
165.84369	0.8
179.05580	0.9
191.05597	2.8
205.03487	1.4
233.06606	4.4
251.07774	0.9
258.27094	0.8
293.08832	1.4
300.02768	1.5
315.18137	38.6
316.18378	2.9
447.22333	100.0
448.22729	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	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19012	0.6
55.01872	2.3
57.03440	1.4
58.00580	0.8
58.23123	0.7
58.63057	0.6
59.01384	55.4
59.67829	0.5
60.01702	0.7
60.64587	0.6
66.83115	0.6
69.03468	0.7
69.40693	5.5
71.01386	29.2
72.99311	4.6
73.02946	17.6
75.00507	0.7
75.00858	3.9
83.01388	6.9
85.02957	9.9
85.06583	3.6
87.00874	2.8
88.80360	0.6
89.02450	9.0
95.01374	2.3
97.06602	1.5
99.00883	7.1
101.02444	22.6
102.02747	0.7
113.02455	9.4
113.09723	1.0
119.02757	0.6
119.03481	3.8
131.03488	1.1
132.02139	1.1
133.02997	0.8
143.03404	1.1
146.71606	0.6
147.04532	1.2
148.05305	7.3
149.04558	1.0
155.14426	11.7
160.01735	1.1
161.04538	2.5
179.05586	0.7
181.12424	0.7
181.16032	4.2
199.13387	21.2
199.15283	1.0
200.13701	2.3
215.06944	0.8
225.14984	5.3
227.03462	1.8
253.14452	1.0
255.02965	2.4
255.19647	2.0
267.19574	0.9
271.02454	2.9
284.03186	1.3
300.02689	3.4
301.03513	4.1
311.18719	0.9
323.04715	0.8
327.15811	1.5
327.89331	0.7
343.15549	0.8
371.14981	2.8
373.22250	3.0
387.20166	14.6
388.20416	1.4
405.21259	25.9
406.21561	3.0
417.20090	0.7
447.09738	6.7
447.22281	100.0
448.09436	0.9
448.22675	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2026
Annotation	Rabdosin B
Peak:m/z	Relative Intensity
57.03449	17.4
59.01383	14.8
61.98845	1.1
64.00836	0.6
65.00317	2.3
67.01890	2.6
68.99816	1.8
70.81661	1.5
70.82018	0.6
71.01379	4.0
73.02936	1.2
75.00887	3.7
81.03458	31.6
83.01393	10.2
83.05029	6.2
85.02949	4.8
99.00914	2.1
101.02446	1.0
107.01392	1.3
107.05040	4.8
109.02963	5.8
111.16862	0.7
113.02425	0.8
123.04599	1.5
125.02455	100.0
126.02773	3.3
133.02998	1.1
135.04485	0.9
147.04524	1.4
148.05341	7.5
149.06053	1.0
150.24812	0.7
151.00368	2.5
151.04048	5.0
153.01973	5.1
161.02452	1.2
167.14418	7.2
178.99927	0.8
191.03549	0.9
191.14410	4.4
193.15947	3.9
197.75919	0.7
207.17520	6.3
208.17818	0.8
209.15480	1.9
211.13397	6.3
217.16025	0.9
225.18687	1.4
227.03450	3.3
228.04137	1.0
233.15488	6.3
233.19145	2.9
235.17039	5.2
243.02925	1.8
243.19621	3.3
249.18593	1.7
251.16617	1.4
253.18015	2.1
255.02989	7.6
256.03366	1.2
257.19095	1.8
259.17032	2.7
264.39230	0.7
271.02435	7.4
271.20764	0.7
272.03107	0.8
275.20206	2.4
277.14804	1.0
277.18057	10.3
279.15982	0.8
284.03354	2.3
285.04068	2.3
293.17749	4.1
299.19977	1.9
299.99457	1.3
300.02744	11.7
301.03503	8.5
301.18195	2.5
302.04123	1.3
303.16025	3.8
317.21259	1.7
319.19104	6.1
321.17059	50.2
322.17361	5.7
327.15945	1.8
341.21268	2.5
343.18997	1.6
345.17096	2.8
361.20425	0.8
363.29016	0.8
371.14816	3.5
385.20090	6.0
387.18658	1.4
387.24026	3.8
403.21393	5.5
404.21811	1.0
405.24921	5.9
411.18268	1.4
429.19186	12.5
430.19583	1.8
447.09735	12.4
447.20358	16.4
447.26187	4.2
447.30652	2.6
448.09900	1.9
448.20544	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.7
57.03454	15.6
59.01387	21.1
61.98843	0.8
65.00332	2.6
66.65796	0.7
68.99841	1.3
71.01381	9.1
71.62465	0.9
72.99332	1.0
73.02955	2.8
75.00871	5.9
79.05538	0.9
81.03465	28.0
82.03785	0.8
83.01396	7.6
85.02970	3.5
87.00883	1.0
89.02448	1.4
95.01465	0.8
97.02987	1.4
97.06632	0.8
98.32566	0.7
99.00887	5.6
101.02480	3.7
107.01405	1.9
109.02970	3.4
113.02464	2.4
119.05080	1.3
121.02946	1.2
121.06622	2.0
122.03735	0.8
123.04533	8.1
123.38694	0.6
124.01627	1.1
125.02455	100.0
126.02808	3.0
127.44211	0.7
132.02194	0.8
133.02969	1.7
134.03783	1.3
135.00912	0.6
135.04549	1.6
137.02429	0.8
143.03531	1.5
147.04535	5.0
148.05316	21.6
149.02371	0.9
149.05724	1.0
150.03229	1.1
151.00340	3.4
158.63939	0.8
159.04509	0.8
160.01675	1.9
161.02435	2.0
161.04665	0.7
163.00409	0.9
163.04048	0.7
165.05589	1.5
167.03514	1.9
172.05350	1.1
178.99898	0.8
180.94151	0.7
187.04054	1.2
191.03500	2.8
193.15976	3.3
195.13828	2.0
211.13435	7.4
217.15984	1.2
225.18661	2.2
227.03479	5.4
228.04272	0.8
233.08229	0.8
233.19179	2.7
235.17030	4.1
236.03255	0.8
237.14938	0.9
243.02986	1.5
243.19646	13.0
244.20067	0.8
255.03009	7.2
257.19208	1.4
259.17154	1.7
271.02563	7.8
272.02924	1.2
275.20151	2.3
277.18079	11.0
278.18445	1.4
284.03348	4.2
285.03976	1.4
299.20175	1.4
299.99216	3.6
300.02811	12.7
300.99942	1.6
301.03497	10.2
301.18140	0.8
302.04031	1.1
303.15982	8.7
309.14929	1.9
317.21194	4.1
319.19339	0.9
321.17084	62.5
322.17349	6.4
327.16061	3.9
341.21109	1.1
343.15427	1.1
343.19165	1.1
345.17133	1.8
353.13998	1.6
359.22290	3.9
361.20282	2.9
371.14990	10.8
372.15463	1.3
385.20319	3.1
387.23877	10.3
388.24170	1.2
389.15936	3.3
399.87692	0.8
403.21301	17.4
404.21619	2.6
405.24924	15.2
406.25235	1.8
429.19351	10.0
430.19644	1.5
447.04260	0.8
447.09818	12.1
447.20245	14.4
447.26120	24.5
448.09723	1.9
448.20480	3.0
448.26471	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	447.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	2.0
57.03451	1.6
58.00598	1.1
59.01386	100.0
60.01720	1.4
61.98837	0.6
69.03477	0.9
69.37988	0.5
69.52582	2.9
69.53004	1.3
71.01389	25.3
72.99314	1.5
73.02952	14.0
75.00883	7.8
83.01389	4.7
85.02960	8.3
85.06599	5.0
87.00893	2.6
89.02450	11.9
93.03461	2.0
93.34882	0.5
95.01402	1.9
97.02958	0.7
97.06580	1.2
98.19898	1.2
99.00896	8.1
101.01785	0.9
101.02453	18.1
107.01391	0.6
109.12775	0.5
111.00867	0.7
113.02460	9.6
119.03476	4.1
123.04513	0.8
125.02477	0.8
127.11268	0.5
131.03535	1.3
132.02171	1.1
135.04523	1.3
143.03517	1.0
146.03735	0.6
147.04524	0.8
148.05333	6.7
149.04555	0.8
151.00363	1.7
153.12920	0.8
155.14445	9.6
160.01677	3.0
161.02370	0.8
161.04572	2.1
163.00356	0.6
172.05182	0.9
174.03209	0.8
178.99779	0.8
179.05611	0.8
181.12257	1.1
181.16006	4.9
183.13898	0.9
184.05290	0.8
199.13414	24.7
200.04765	0.7
200.13789	1.3
211.13414	13.4
212.13896	0.8
225.15007	9.3
227.03511	6.4
228.04161	1.3
243.06607	9.6
244.06944	0.7
249.37959	0.5
253.09256	2.2
255.03012	4.1
271.02457	3.9
284.03317	2.2
285.04074	1.5
299.16452	1.2
299.99109	3.5
300.02731	7.0
301.00012	1.1
301.03421	6.4
309.15060	0.9
311.22272	0.7
315.17865	0.6
325.14456	1.6
327.15930	2.8
339.67618	0.6
343.15250	1.7
344.15042	0.6
345.17126	0.7
353.13815	1.6
371.15112	8.1
372.15201	1.4
387.20233	16.0
388.20511	1.8
405.21307	44.8
406.21622	4.9
447.09964	7.2
447.22229	58.8
448.09921	0.9
448.22556	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	31.0
61.98837	0.6
68.99841	0.5
71.01389	6.4
71.13421	0.4
71.61514	0.5
72.99310	1.0
73.02940	3.5
75.00879	36.4
83.01397	1.9
83.05039	0.6
83.92282	0.3
85.02934	1.4
87.04482	0.4
89.02467	2.9
95.01416	2.7
98.10316	0.4
99.00888	0.4
101.02448	5.4
101.39620	0.4
109.02928	1.3
113.02473	3.4
119.03520	0.9
121.02972	0.6
131.03490	1.1
132.01830	0.4
135.04561	0.6
146.03754	0.4
147.04539	0.7
148.05302	0.7
149.04565	0.6
151.00363	1.5
156.05823	1.0
159.04570	1.9
160.05333	0.9
161.02451	1.1
161.04546	2.6
161.05942	0.7
163.03960	0.6
171.04594	0.7
172.05307	12.3
173.06059	2.6
174.03275	0.7
174.05528	0.4
175.03862	0.6
178.99846	0.7
183.04514	0.9
184.05183	1.1
185.06110	1.9
186.06850	1.1
187.04004	2.7
187.07715	0.8
188.04674	0.8
191.03525	0.9
196.05363	0.6
197.06075	4.1
198.06714	1.4
199.04016	13.8
199.07654	0.4
200.04761	6.7
201.05556	2.9
202.06284	1.1
204.04263	3.1
210.03349	0.5
211.04016	2.7
211.07678	1.5
211.13367	5.2
212.04575	0.5
213.05585	1.2
214.06340	2.1
215.06932	0.7
225.09164	0.5
226.02727	0.8
227.03503	43.1
228.04224	20.6
229.04776	1.3
232.03720	1.5
238.06297	0.4
239.14401	0.7
242.05872	0.5
243.02957	0.8
243.10208	0.5
243.16016	0.8
246.05266	1.0
253.09192	0.6
255.02991	5.9
255.13924	1.0
256.03522	1.0
257.15533	2.3
267.13882	1.4
271.02481	4.7
283.13406	64.7
284.03357	2.9
284.13754	7.1
285.04001	2.1
285.14893	0.7
295.02481	0.7
296.03552	0.4
297.15054	1.0
299.99255	0.7
300.02744	7.4
301.03476	6.6
301.10995	0.8
301.14453	14.8
302.03757	0.6
302.14737	2.0
307.13370	0.7
309.14963	16.6
310.15326	1.9
311.12939	8.8
312.13300	0.9
313.30313	0.4
325.14435	4.0
326.14853	1.0
326.20676	0.5
327.12347	11.6
327.16083	8.8
328.12860	0.9
328.16370	1.2
329.13931	5.4
330.14453	0.7
335.12662	0.5
341.17447	0.7
343.15591	0.6
345.13367	5.4
345.17108	7.7
346.13620	0.7
346.17563	1.2
353.13965	13.1
354.14316	1.7
371.15005	100.0
372.15347	13.0
387.20187	2.3
403.13885	3.5
404.14401	0.5
405.21255	1.2
447.09256	9.3
447.16519	6.3
447.22324	2.3
447.30182	0.8
448.09338	1.3
448.16739	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1299
Annotation	Siebolside A
Peak:m/z	Relative Intensity
54.35205	0.6
55.01886	0.5
57.03432	0.6
59.01386	20.7
65.00334	0.7
68.99821	0.8
69.37746	0.5
71.01387	11.5
71.61488	0.6
71.61887	0.6
72.99300	0.6
73.02965	2.9
75.00892	3.2
75.68969	0.4
81.49990	0.4
83.01390	1.5
85.02958	4.6
87.00889	0.7
89.02438	3.7
95.01408	0.8
99.00901	1.2
101.02444	5.9
101.04045	0.6
107.01429	0.5
109.02924	0.6
113.02464	4.2
119.03496	1.1
121.02946	1.6
125.02397	0.6
129.03499	1.0
131.03537	0.5
139.05548	14.0
140.05908	1.1
141.03517	0.7
143.03491	0.7
148.05310	0.6
149.99561	1.3
151.00401	1.2
155.05006	0.6
158.03731	0.6
159.02982	0.7
159.04512	0.5
161.02486	0.7
161.04573	5.8
171.04538	4.2
172.05315	0.7
174.03215	0.5
180.04285	0.5
183.04507	4.9
199.04021	27.2
200.04530	2.8
211.03952	1.1
211.13419	5.5
212.13809	0.5
227.03519	62.7
228.04277	98.7
229.04659	9.4
239.03694	0.7
240.04387	0.8
241.05023	0.5
242.05865	36.9
243.06619	100.0
244.06979	8.3
246.15004	0.5
253.09207	0.8
255.03017	4.5
255.06656	2.1
266.82294	0.4
271.02542	3.4
272.03021	0.5
283.13220	0.9
284.03311	2.7
285.04129	0.9
285.07648	1.4
285.20486	0.5
297.07706	0.8
300.02737	5.6
301.03470	3.8
301.14508	0.9
309.15018	2.3
311.12753	0.5
315.18140	7.3
316.18686	0.8
327.15936	1.7
329.13950	1.0
343.28973	0.6
353.14063	2.4
371.15027	6.0
447.08167	3.3
447.13870	14.6
447.22110	3.8
447.26456	2.7
448.14014	2.9
449.93744	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89659	0.2
59.01389	0.3
62.96407	1.3
65.26146	0.2
69.61277	0.2
78.95909	36.7
96.96950	2.1
98.19926	0.7
149.00096	19.8
150.00461	0.6
158.92526	1.5
179.01183	2.8
205.15942	1.9
229.48813	0.3
255.02998	0.5
267.11639	0.5
271.02588	0.3
273.94406	0.2
289.74249	0.3
300.02734	0.5
301.03537	0.3
322.41272	0.3
335.22260	0.2
347.08102	0.6
417.12494	0.7
431.10260	2.4
432.10812	0.4
447.13431	100.0
448.13809	12.1
464.10129	0.4
470.27005	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	19.2
61.98822	1.0
63.02392	0.6
65.00326	1.0
70.30114	0.7
70.30504	0.9
71.01383	1.5
73.02941	0.9
83.01408	1.3
84.64886	0.5
85.02962	0.8
89.02435	1.0
101.02435	1.4
107.01390	3.4
108.02161	1.1
109.02973	2.2
113.02460	0.7
119.01480	0.5
119.03514	0.5
121.03027	2.3
125.02542	0.5
132.03734	0.4
135.00873	1.4
148.01688	1.7
151.00389	10.5
152.00674	0.7
159.04591	0.8
161.04552	1.2
163.00401	3.1
164.01161	0.9
169.01468	0.5
178.99883	5.5
183.04507	0.7
187.03961	0.8
190.99837	0.9
199.03987	1.2
201.01880	0.6
203.03543	0.5
211.04010	1.2
215.03412	0.7
216.04285	0.6
217.10878	0.8
226.02718	3.0
227.03514	6.6
228.03978	0.9
229.05009	1.0
240.04149	0.5
243.03000	14.6
244.03384	1.3
245.04468	1.3
254.02257	3.4
255.03000	27.9
256.03445	2.2
266.01840	0.4
271.02487	70.9
272.02881	7.7
273.04047	1.4
283.02527	1.5
284.03287	3.2
285.04047	1.8
299.01947	1.5
300.02768	100.0
301.03479	47.1
302.03845	3.4
387.20306	0.8
411.23676	0.5
447.09344	85.6
447.26169	2.5
448.09671	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	447.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27202	0.7
59.01377	2.9
62.92832	0.6
63.23634	0.7
68.62741	0.7
71.13148	0.9
131.37892	0.8
151.00395	3.7
153.01912	0.9
183.04518	0.8
211.04028	1.2
215.68382	0.7
227.03506	50.7
228.03915	4.6
229.05090	1.5
242.19373	0.6
255.02998	69.6
256.03589	10.9
257.04352	1.8
284.03271	78.0
285.03915	26.1
286.04395	2.0
327.05148	1.0
357.06046	0.8
447.09329	100.0
448.09665	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	447.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02412	0.9
64.02158	0.7
65.00318	1.1
69.71213	4.7
81.33345	0.6
81.52130	0.7
83.01368	1.7
91.01883	0.8
98.19872	1.3
107.01386	4.4
108.02193	1.8
109.02962	2.3
113.29404	0.7
121.02962	3.4
135.00821	0.8
148.01662	2.4
149.02516	1.0
151.00375	17.2
152.00638	0.7
163.00426	4.2
164.01028	0.8
178.99872	8.1
194.83577	0.7
199.04010	1.2
211.03992	2.1
226.02675	1.2
227.03502	5.7
229.05092	1.4
243.02960	11.8
243.08922	0.7
244.03377	1.5
245.04544	2.7
254.02159	1.3
255.02983	28.8
256.03479	2.7
271.02472	52.4
272.02866	7.1
273.04056	1.4
283.02487	2.9
299.02057	1.0
300.02744	100.0
301.03491	97.3
302.03903	10.1
411.33228	0.9
447.09317	91.2
448.09683	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	446.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.8
57.81297	1.4
59.01365	5.3
61.98835	100.0
65.27350	1.3
66.45755	1.3
70.38573	5.5
81.03475	2.1
83.01370	2.8
120.36874	1.4
121.06560	1.7
123.04476	1.3
125.02457	17.9
126.02783	3.5
181.16034	8.6
181.73476	1.6
205.01653	1.5
209.19266	1.3
211.13597	1.7
221.19142	2.5
223.17067	12.3
241.18065	5.3
247.17056	8.0
255.03207	3.3
265.18091	16.3
266.18430	2.0
271.02444	1.7
271.72482	1.3
300.02609	2.4
309.17056	5.4
339.21823	1.7
349.95642	1.5
383.20761	56.6
384.21005	6.6
395.54529	1.6
402.20129	1.8
403.21210	5.6
446.18732	3.4
447.09430	2.3
447.20142	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	446.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.9
61.98836	100.0
65.11297	0.9
70.81676	2.2
83.01402	1.7
95.19241	0.9
98.19940	1.1
139.71776	1.0
181.15991	6.2
202.90039	1.0
221.19197	1.2
223.17049	12.2
224.17264	1.4
225.14931	1.5
241.18105	3.2
247.17032	5.8
265.18051	16.4
266.18564	1.5
271.02536	1.2
295.75171	1.0
300.02747	1.4
301.03577	1.4
309.17084	5.4
378.29532	0.9
383.20758	45.3
384.21201	5.5
384.25336	1.2
447.09421	1.9
447.15729	1.2
447.26077	1.1
450.79904	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.7
57.03436	1.6
58.00581	1.4
59.01380	68.8
60.01709	0.9
60.45357	0.7
65.69096	0.8
66.02003	0.8
71.00987	1.5
71.01385	30.9
71.62083	1.4
72.99335	2.0
73.02944	18.6
74.03316	0.8
75.00883	4.7
83.01395	8.8
84.01729	0.9
85.02957	8.5
86.00097	0.9
87.00888	4.2
89.02454	6.3
89.51706	0.8
93.03487	1.0
95.01398	1.8
97.02967	2.1
99.00875	2.3
99.08185	0.8
99.86820	0.8
101.02444	20.4
101.37270	0.7
102.02748	0.7
113.02458	8.3
119.03513	2.0
121.02944	2.1
123.08125	0.9
124.01646	0.8
125.02431	2.6
131.03494	1.0
135.04544	1.1
141.09213	3.2
143.03487	2.1
145.02942	1.3
161.02449	2.3
161.04521	1.8
173.02400	0.8
209.11806	1.2
223.17018	16.7
227.07144	1.1
241.01447	0.8
241.18076	15.8
242.18530	1.4
271.02457	1.6
299.01965	2.2
299.40640	1.1
300.02701	1.9
301.27481	1.2
335.84586	0.7
354.65857	0.8
385.17813	1.2
385.22333	14.2
386.22711	2.4
403.23358	32.7
404.23663	4.0
427.23825	0.9
445.24417	100.0
446.24698	16.1
446.30377	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3323
Annotation	Gibberoketosterol
Peak:m/z	Relative Intensity
59.01390	0.8
70.94668	0.5
84.55319	0.6
87.00981	0.5
98.19886	2.2
109.02885	0.6
118.04587	0.6
125.02426	0.7
137.06067	2.2
139.03960	0.9
152.04799	5.7
157.06706	0.6
163.04008	1.2
163.89926	0.5
164.04869	0.8
165.05577	8.4
175.04037	0.7
175.07574	0.9
176.04753	1.1
177.05553	3.4
178.06361	1.5
185.06110	1.3
188.04736	1.2
189.05568	2.5
199.07712	1.2
200.08507	0.9
201.05649	0.8
202.06297	2.9
203.07169	13.1
204.07663	1.3
213.09209	0.8
217.08673	3.2
218.09473	12.7
219.09811	0.9
229.65964	0.6
264.94794	0.6
377.26984	0.7
417.33688	1.2
427.32266	2.6
430.30682	3.1
445.33228	100.0
446.33591	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	445.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22899	0.9
57.96439	0.8
58.00594	1.0
59.01383	100.0
69.60560	1.6
69.60965	4.4
71.01383	14.7
75.00867	3.7
77.39664	0.8
83.01388	0.9
83.05036	2.7
85.02936	1.9
87.00861	1.0
89.02446	32.4
98.20601	1.7
101.02448	9.0
104.31459	0.8
113.02448	8.3
118.95221	0.8
119.03521	12.4
126.53908	1.0
131.03487	1.0
138.05609	1.9
143.03505	2.1
149.04555	1.5
156.62643	0.8
161.02364	0.9
161.04515	4.3
179.05624	15.0
193.45721	0.8
194.59102	0.8
203.17165	0.9
211.97794	0.8
254.04155	0.9
445.20966	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2233
Annotation	Atranone B
Peak:m/z	Relative Intensity
52.12710	1.3
56.22287	1.4
57.03447	12.0
59.01361	4.6
61.98827	3.0
62.74443	1.3
65.00312	3.1
75.00880	2.9
81.03452	10.3
83.01380	6.1
109.02929	2.0
119.76584	1.2
121.02920	2.7
121.06548	3.2
123.04534	10.9
125.02446	100.0
126.02755	2.9
135.04535	2.9
149.02432	4.2
161.02483	2.0
165.05547	2.8
167.03513	4.3
209.19072	7.0
233.19054	4.9
249.22298	1.6
273.22156	8.9
275.20126	9.7
315.23318	15.0
317.21216	9.8
318.21786	1.7
319.19131	4.7
341.21136	5.3
357.24374	7.5
359.22281	4.6
361.20407	3.2
401.23282	18.0
403.21121	3.6
445.22263	74.8
446.22510	11.0
463.08478	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2363
Annotation	Artoindonesianin X
Peak:m/z	Relative Intensity
57.03424	0.3
59.01373	1.5
69.35406	2.8
71.01372	0.6
75.00873	0.4
78.95913	6.2
85.02950	1.2
110.98539	4.9
142.40044	0.4
167.01176	2.3
181.22403	0.4
185.02199	4.3
218.12604	0.4
233.22739	0.5
235.94016	0.4
249.61565	0.3
277.21729	100.0
278.22083	12.3
278.25174	0.4
388.67102	0.3
445.23593	5.4
446.24060	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13174	1.3
59.01381	100.0
61.98819	1.5
75.00876	2.8
78.95911	4.4
88.58015	0.9
89.50196	0.9
95.63353	0.9
97.35925	1.0
98.19886	2.9
121.02908	1.3
121.69697	1.1
149.00082	5.7
156.49428	1.2
161.02420	1.9
163.07628	1.7
183.89691	0.9
187.69096	1.2
189.09160	1.3
205.15982	7.0
302.43555	1.3
355.16782	22.6
356.17236	2.6
385.17871	13.4
386.17932	1.4
445.19946	4.5
445.25668	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82978	0.8
54.15755	0.8
55.01872	1.3
58.00607	1.5
59.01383	31.4
69.03468	1.3
70.09949	0.8
70.49460	2.9
71.01392	14.7
72.99303	3.7
73.02945	12.1
75.00863	4.0
83.01391	1.2
85.02957	7.9
86.00109	2.5
87.00886	8.9
87.04523	2.8
89.02445	7.8
93.03466	39.3
94.03826	1.1
95.01378	1.2
98.19999	0.9
99.00841	1.2
101.02449	11.7
103.04076	4.3
103.26553	0.9
107.05032	1.0
109.02939	2.7
113.02456	8.5
115.04040	5.3
118.99910	0.9
119.03515	3.3
119.04999	1.4
121.02984	2.3
127.04031	1.3
131.03526	6.6
133.02945	1.1
135.04556	3.3
136.01645	7.7
137.02454	100.0
138.02812	5.5
143.03526	7.6
145.05064	1.9
151.03993	5.0
161.02437	2.7
161.04559	1.6
163.06131	8.4
177.05598	1.4
178.02983	0.9
179.03520	28.4
205.05321	1.2
205.07156	5.4
209.04564	0.9
223.06129	1.4
227.07127	2.7
239.05592	20.5
240.05936	1.3
247.08244	2.2
265.07147	5.0
281.06760	1.0
283.08255	5.4
321.97858	0.9
325.09290	61.4
326.09647	4.9
445.13535	24.2
446.13892	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	445.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79513	1.5
57.03442	3.3
58.09292	2.3
59.01383	100.0
61.98834	13.7
68.99581	6.0
69.68840	4.7
69.69247	7.2
71.01392	22.9
72.99303	4.0
73.02956	12.3
73.73807	1.8
75.00871	10.5
83.01382	8.7
85.02953	10.1
87.00905	1.8
89.02438	4.9
89.03940	2.3
93.03463	2.4
95.01357	2.4
97.02939	1.8
98.20564	4.0
101.02441	15.2
110.53694	1.7
111.00878	2.4
113.02422	9.5
119.03526	3.5
121.02962	6.5
121.04627	11.3
125.02442	5.2
135.04539	5.4
141.05284	8.6
143.99127	3.0
153.05550	4.4
161.02448	4.8
161.04617	3.4
165.03554	2.2
185.04153	2.5
205.04832	34.6
206.05171	3.1
223.16962	5.0
241.18146	3.2
247.13629	1.8
271.02594	3.6
299.01828	2.0
300.02484	2.1
301.27402	4.4
385.22379	8.0
401.19540	2.1
403.23215	12.2
404.23605	2.3
445.18494	2.0
445.24380	28.5
445.30411	3.6
446.24899	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08426	0.5
53.34277	0.5
57.03442	0.9
59.01372	2.6
59.42383	0.5
63.02374	1.9
65.00320	5.2
67.30444	0.7
69.46709	4.0
69.47120	1.3
71.01387	0.6
73.02930	1.0
73.76165	0.6
75.00854	1.4
83.01357	3.0
85.02943	0.9
89.02446	1.2
102.89854	0.6
107.01400	8.0
109.02969	5.6
111.24037	0.7
117.03470	0.6
119.05059	0.6
125.02432	5.3
133.02933	2.4
135.04533	5.1
137.02502	0.6
145.02924	2.7
147.04485	1.2
151.00372	27.2
152.00941	1.2
153.01927	1.0
157.74574	0.6
159.04491	3.3
161.02455	8.1
162.03120	0.6
163.03964	4.3
169.01424	1.9
171.04466	1.3
173.02448	1.4
174.03262	0.8
175.03973	3.2
178.99854	13.9
183.04459	1.6
185.06099	1.3
187.00368	0.8
189.01949	3.4
191.03525	3.0
192.00627	1.1
193.01340	0.9
195.04437	0.8
197.06090	1.3
198.03139	2.1
199.04028	5.7
201.01920	1.0
203.03485	3.0
207.04546	0.7
209.06049	1.0
211.03937	1.2
212.04631	0.8
213.05565	1.5
217.01428	1.2
219.02789	0.7
221.06126	0.9
223.04085	0.9
225.05582	1.1
226.02670	1.2
227.03519	3.4
229.04901	1.3
231.02872	0.9
237.05475	0.9
239.03401	1.2
240.04311	3.5
241.05086	6.9
242.22733	0.8
243.02890	1.3
245.04512	1.9
249.05527	0.7
251.03432	2.1
253.04964	1.9
255.03015	1.4
263.07108	1.3
264.04239	0.7
265.04941	1.1
267.02948	2.2
269.04541	1.4
271.02344	1.0
272.03183	0.7
279.02957	1.7
279.06348	1.1
280.03589	1.2
281.04510	1.4
283.02728	1.1
283.06067	6.9
284.03021	0.9
284.06317	0.7
285.03912	2.3
291.06610	1.9
295.02435	10.1
296.02948	1.4
297.03995	7.6
298.01190	0.9
299.01840	0.8
300.02600	1.9
301.03485	2.0
307.06042	1.1
308.06830	1.7
309.04053	4.7
311.01999	1.8
313.03528	7.4
315.05771	0.8
323.02020	10.2
323.05609	1.8
324.02365	1.4
325.03516	1.0
327.01508	6.3
327.05023	1.1
328.01617	0.8
333.64514	0.7
335.05466	4.2
341.03030	23.2
342.03372	2.3
343.04343	0.6
353.02917	0.9
355.04486	2.3
359.08881	1.1
373.05695	1.7
383.03946	1.0
401.05481	1.0
402.07141	0.8
403.08264	0.8
445.07867	100.0
446.08243	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.6
68.16022	0.9
71.01373	0.9
71.60705	1.2
75.00879	36.0
76.01204	1.5
76.65366	0.9
87.22378	1.1
93.03466	7.0
106.27182	0.9
109.02957	16.1
110.03267	1.0
117.03455	3.1
119.05038	9.1
121.02973	3.8
122.03767	1.6
122.67394	1.0
133.02969	1.2
133.06587	2.5
134.03723	3.7
135.04532	100.0
136.04872	4.1
137.02437	3.4
145.02956	22.3
146.03383	1.1
147.04510	3.1
150.03209	1.3
158.66106	1.0
159.04530	1.6
161.02448	2.4
161.06049	2.9
163.03995	4.8
163.24628	0.9
173.06114	2.2
174.03223	1.9
175.03966	5.3
177.05565	2.5
179.03503	77.1
180.03836	4.6
187.04005	1.2
189.05540	1.3
191.07173	1.5
193.05063	5.4
201.05580	2.1
205.05093	1.1
221.04514	5.8
223.92902	1.1
227.07111	2.3
239.07144	15.5
240.07640	1.7
243.06667	1.7
255.10245	15.6
269.11728	1.6
273.23080	1.0
281.08267	8.0
295.09650	3.3
307.06186	1.2
313.10928	1.8
325.09280	1.6
357.09702	3.4
468.04788	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38511	3.7
59.01098	5.0
59.01384	99.4
69.50596	17.0
69.51026	8.3
71.01385	22.0
73.02925	5.6
75.00878	57.7
75.61926	3.1
78.91051	3.2
83.01366	6.8
85.02959	7.8
87.00861	4.4
87.04545	3.5
89.02448	8.9
89.76121	3.0
93.03474	16.9
97.03012	3.5
101.02450	13.0
107.01335	3.5
108.08208	100.0
109.02940	18.7
109.08494	6.8
109.36197	3.5
111.04493	3.7
113.02450	9.1
117.03457	6.8
119.04227	6.7
119.05028	91.8
120.05355	3.8
121.02950	5.2
124.75294	3.6
131.05016	3.5
133.02965	7.2
135.04532	9.5
137.02461	18.1
145.02971	31.3
147.04514	8.7
151.00385	5.8
151.04037	8.0
152.07179	81.3
153.07536	4.1
153.09196	3.4
159.04439	6.5
161.02457	24.2
163.04010	44.7
166.08760	17.7
167.65698	3.6
175.03951	7.0
177.05579	5.8
179.05632	4.2
191.03485	3.8
193.05038	8.6
194.08253	8.4
196.06155	70.5
197.06250	5.7
211.07816	4.4
227.03372	10.4
227.07088	12.5
237.03864	4.3
238.07191	8.5
241.01372	16.2
241.05029	7.7
242.02098	4.8
243.03055	8.2
243.06442	4.0
245.00905	9.9
252.04231	9.1
255.02945	24.6
270.01718	17.1
271.02515	22.3
279.02896	7.2
280.03818	25.3
281.06808	22.5
284.03302	9.6
285.03934	13.3
298.01144	6.5
299.01901	13.9
300.02594	17.7
301.03522	12.0
303.06927	12.7
347.09302	3.2
382.18427	4.0
400.12537	11.0
438.31183	3.6
445.08121	21.7
445.10764	14.8
445.20468	9.9
447.09543	4.1
463.08594	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90748	0.7
58.02971	1.1
59.01387	13.8
64.34093	0.7
64.88706	0.8
65.18061	0.7
71.01398	5.0
71.61215	0.9
71.61594	1.4
72.99310	5.0
73.02951	3.1
74.02496	3.9
75.00879	100.0
76.01215	1.7
85.02934	1.2
86.02493	0.9
89.02460	3.3
93.03486	3.1
99.00901	1.3
99.05663	2.2
101.02450	3.1
109.02988	4.8
113.02461	1.1
117.03455	1.1
118.99902	7.7
119.03464	0.7
119.05047	2.1
121.02930	2.4
128.03563	6.3
129.03931	1.9
130.23067	0.7
135.04539	2.6
139.03955	1.0
140.05411	0.8
143.04642	8.8
144.05034	1.2
145.02954	6.4
146.03320	3.1
149.02452	1.5
153.06558	1.0
155.42197	0.8
159.04550	1.3
161.02473	4.4
161.06064	1.3
174.03140	1.2
175.04013	2.8
177.01837	1.0
177.05539	1.5
179.04668	1.5
180.04897	1.1
187.04056	2.5
210.08806	2.0
211.09227	1.2
223.04005	3.0
226.06239	1.3
235.04016	1.1
239.03450	2.5
251.03485	1.3
252.04182	1.0
254.07918	2.6
255.08026	2.2
255.10376	2.2
266.02161	1.3
267.03024	5.8
268.03180	1.0
269.04257	0.9
272.08990	4.0
273.09085	3.1
279.02982	1.6
280.03735	1.4
281.08267	7.0
282.04880	1.7
309.07834	1.0
313.03812	0.9
325.07217	4.6
343.08612	0.9
364.07672	1.0
371.08688	3.3
371.59119	2.4
384.07480	1.6
387.05026	1.8
388.05850	1.9
401.08832	1.6
416.05444	6.4
417.06042	6.9
418.07028	1.1
423.08984	1.0
426.15176	1.7
444.15997	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	443.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	4.3
57.03445	3.4
58.00592	2.1
59.01384	100.0
69.03445	1.5
70.31402	0.9
71.00993	2.1
71.01388	39.1
71.11022	0.9
71.14287	2.3
72.99319	1.7
73.02954	14.4
73.59746	0.9
75.00890	1.0
83.01388	7.0
85.02959	19.4
86.00117	1.8
87.00877	1.6
89.02458	14.3
92.63235	0.9
95.01386	3.3
98.20460	1.0
99.00877	3.6
101.02451	27.5
113.02467	14.7
115.56779	0.9
119.03490	5.9
121.04494	0.9
125.02465	1.5
143.03499	2.0
161.04536	5.0
179.05704	1.1
198.16589	0.9
239.16539	2.0
259.27478	1.0
357.22742	3.1
383.20740	16.1
384.20837	1.7
401.21860	21.6
402.21957	2.8
443.22876	84.0
444.23138	12.0
444.51395	1.0
456.57446	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	5.0
57.03455	3.7
58.00602	1.2
59.01384	100.0
60.01734	1.3
68.99809	0.7
69.03473	1.5
71.01389	33.4
71.12649	1.2
71.36533	0.6
72.01725	0.6
72.99327	2.4
73.02954	12.8
77.43481	0.6
83.01389	9.7
85.02437	1.3
85.02956	25.2
86.00120	1.9
86.03320	0.7
87.00883	2.4
89.02454	8.1
92.47601	0.5
95.01408	3.5
95.28228	0.6
97.02960	1.7
99.00887	4.5
101.02452	26.7
111.00841	1.1
112.90160	0.6
113.02460	14.7
116.32451	0.5
119.03516	4.1
125.02441	1.3
143.03450	1.7
159.03017	1.2
161.04550	5.1
179.05725	0.7
239.16469	3.2
295.19659	0.7
357.22711	2.8
383.20804	12.1
384.21216	1.5
401.21841	25.5
402.21979	2.9
402.64484	0.7
443.22882	87.1
444.23215	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	443.2287
Annotation	Radiosumin B
Peak:m/z	Relative Intensity
55.01876	3.4
57.03447	5.2
58.00602	1.5
58.28627	1.0
59.01385	97.8
59.42313	0.9
60.01722	1.2
69.03455	1.4
71.01388	39.1
71.13737	1.5
72.26263	1.0
72.99313	3.0
73.02945	15.5
75.00884	1.2
83.01402	9.6
85.02957	26.2
86.00104	2.9
87.00890	2.1
89.02457	4.8
95.01395	3.6
97.02983	1.2
99.00903	5.5
101.02450	27.5
103.50047	1.0
113.02453	14.1
113.72063	0.9
119.03479	1.6
125.02422	1.7
143.03479	1.0
152.73140	1.1
153.61079	1.1
159.03009	1.8
161.04552	6.5
161.75540	1.0
180.05159	1.1
180.12004	1.0
239.16545	2.0
332.77090	1.1
346.00977	0.9
357.22617	5.5
358.23145	1.1
383.20786	13.8
384.21234	1.9
401.21832	30.9
402.22263	4.8
443.22891	100.0
444.23285	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	443.1926
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
51.63910	0.8
52.79041	0.9
55.01881	2.0
57.03440	2.6
58.00596	1.6
59.01385	39.4
59.67627	0.7
61.62035	0.9
69.25787	1.8
69.26189	7.1
71.01386	27.5
72.99311	4.1
73.02957	5.5
74.02480	1.1
75.00877	65.4
78.92535	0.8
83.01386	4.9
83.05059	0.9
85.02953	11.9
87.00867	1.7
89.02448	19.4
93.03457	3.5
95.01398	2.6
97.02915	1.1
99.00912	2.0
101.02449	24.9
104.41321	0.9
108.02157	0.9
109.02956	10.4
111.04532	1.4
113.02477	9.1
117.03461	4.0
119.03506	7.5
119.04979	4.2
121.02930	1.3
121.06586	1.0
123.08199	2.0
125.38584	1.2
128.03555	2.5
133.02960	1.2
135.04543	25.3
135.05615	1.4
136.05110	0.9
143.04707	2.9
145.02960	32.4
146.03288	2.0
149.05995	1.2
151.07657	4.2
155.08606	0.9
159.04428	1.6
161.02470	2.2
161.04576	1.0
161.06062	0.9
163.04050	2.0
171.11743	1.4
175.03915	1.0
177.05530	0.9
187.04013	2.4
195.06589	2.7
201.01964	0.9
203.03583	1.3
211.07698	4.6
221.04512	8.1
222.04848	1.0
223.07646	2.2
235.07605	1.0
237.05455	0.8
237.09346	1.0
237.14993	2.3
239.03477	2.1
239.05598	11.9
255.06721	1.4
263.07297	1.0
265.08728	3.0
272.08911	1.5
279.03000	1.6
279.06662	2.5
281.04581	8.0
281.13974	6.6
282.04703	1.2
291.06647	3.5
294.10715	0.9
297.07977	1.2
309.07483	4.2
310.08063	0.9
323.05618	3.9
323.09103	1.8
327.08698	2.6
341.06662	1.3
367.07938	1.8
385.09232	1.5
399.07083	1.7
443.12177	9.1
443.19232	100.0
444.12646	1.5
444.19672	11.2
455.82092	0.9
464.19012	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37421	1.2
56.84695	1.4
57.03434	2.0
58.02975	12.7
59.01379	10.5
61.04138	1.4
68.93044	1.2
69.50080	10.6
71.01393	6.7
72.00875	1.3
72.99283	4.3
73.02935	2.6
74.02482	23.0
75.00877	100.0
76.01192	1.6
81.04585	1.9
82.02971	3.3
86.02486	8.3
86.02909	1.5
86.06098	2.4
87.05625	5.2
89.02415	1.8
93.03415	4.4
97.04086	2.8
98.02435	2.4
98.19872	2.0
99.00874	2.1
99.05103	1.8
99.05647	22.3
101.02435	2.0
101.07170	4.3
102.05594	3.8
109.02953	11.4
109.04057	4.0
109.07752	1.5
111.05614	2.8
112.04011	4.0
117.03430	3.9
118.99818	4.1
119.04993	5.6
121.02919	2.3
123.05620	1.6
125.03002	11.1
126.03740	1.5
127.05086	4.1
128.03542	62.7
129.03888	1.8
135.04469	4.7
135.05609	6.3
140.05391	6.7
141.06641	3.2
143.04620	76.4
144.04958	2.7
145.02957	45.9
145.06154	3.2
146.03424	2.3
146.04538	10.6
151.03882	1.4
153.06697	3.4
159.04504	1.5
161.02382	3.0
161.06070	4.2
163.04034	2.4
166.09779	4.3
167.04652	3.9
167.08228	4.5
170.03329	2.8
170.06442	8.6
171.04257	1.8
175.03995	2.5
177.05533	4.5
179.04689	18.3
181.06142	1.6
184.10785	1.8
185.05559	2.4
187.03923	4.7
192.07710	2.1
197.05653	4.4
201.01828	2.1
209.06081	1.5
210.08847	17.3
211.07605	2.9
219.13669	1.7
221.04585	10.2
223.03897	2.0
223.07718	1.9
237.05551	2.3
237.09286	1.9
239.03471	7.3
251.07031	1.8
253.04932	3.5
254.07825	38.4
255.06549	1.8
263.06958	1.7
265.08640	3.2
267.02737	2.8
272.08878	61.1
273.08945	5.0
279.02966	3.1
279.06436	3.8
280.03366	1.9
281.04565	19.0
281.07703	2.7
291.06564	2.4
291.38177	1.4
295.05826	1.5
297.07538	3.1
309.07379	3.4
314.11694	4.5
323.05746	9.9
323.09036	2.8
327.08649	5.1
341.06433	4.3
341.10110	1.5
385.09308	1.7
387.04712	1.3
396.40720	1.5
399.07071	2.0
416.05234	4.7
417.05914	2.8
422.08649	1.9
425.14883	9.5
443.10519	1.9
443.15799	46.7
444.16388	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	443.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02981	10.4
59.01385	6.9
71.01357	4.2
72.00880	1.8
72.99286	2.9
73.02932	3.1
74.02077	1.2
74.02478	18.6
75.00879	100.0
77.67405	1.0
81.04580	2.0
82.02992	1.8
82.43741	0.9
86.02488	7.6
86.06132	1.2
87.05608	3.2
89.02444	1.6
93.03413	3.3
97.02921	1.1
97.04069	1.7
98.02437	1.3
99.00876	1.2
99.05642	13.4
101.02440	1.7
101.07191	3.2
102.05582	3.5
106.72313	1.1
107.06156	1.5
108.84711	1.2
109.02956	6.9
109.04053	2.6
109.07709	1.0
111.05619	1.4
112.04004	2.0
117.03451	2.7
118.99890	5.1
119.04990	4.5
121.02935	2.0
123.05648	1.4
125.03008	5.4
127.05076	1.9
128.03552	47.5
129.03882	1.4
135.04480	4.7
135.05618	5.4
140.05421	6.0
141.06635	3.3
143.04637	56.6
144.04991	1.6
145.02965	37.4
145.06174	3.1
146.03419	1.2
146.04613	5.6
147.04555	1.5
149.02364	1.3
153.06625	3.8
155.08209	1.1
155.74020	1.0
159.04460	2.5
161.02454	2.4
161.06059	2.5
163.03944	2.8
166.09784	3.1
166.11153	1.1
167.04602	3.4
167.08221	2.2
170.06427	6.2
171.04053	2.4
175.03915	2.8
177.05562	2.3
179.04674	14.7
180.04991	1.3
181.06163	2.0
185.05534	1.3
187.03955	2.1
197.05682	1.9
201.01933	2.4
203.03448	1.9
210.07147	1.0
210.08867	12.7
211.07518	2.1
221.04605	6.6
223.03957	2.1
223.07506	2.2
228.09781	1.9
228.24690	1.0
237.05476	2.3
239.03363	4.8
240.04225	1.5
241.04845	1.3
253.04942	3.0
253.08783	1.1
254.05403	1.7
254.07819	25.0
255.06308	1.5
265.08569	3.7
267.02838	4.5
267.66296	1.3
272.08902	44.3
273.09088	2.8
279.02908	4.3
279.06155	1.5
281.04599	10.9
291.06705	2.5
295.02301	1.6
297.07535	1.4
309.07544	2.2
314.11597	4.7
323.05670	5.6
323.08820	1.5
327.08624	3.5
341.06299	3.3
353.06155	1.3
371.08603	3.4
385.09039	1.9
387.05005	2.0
399.06799	1.6
416.05295	6.1
417.05789	3.2
422.08011	1.9
425.14987	5.9
443.10638	1.6
443.15845	39.3
444.15991	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01087	0.2
70.10123	0.9
71.01367	0.2
72.99295	0.7
75.00875	43.0
76.01209	0.4
78.95918	0.3
93.03458	3.0
96.96009	0.4
96.96976	0.6
99.00879	1.2
108.02209	0.3
109.02951	0.7
117.03470	12.3
118.03802	0.8
119.05029	6.2
121.02958	2.6
129.03398	0.3
130.04225	0.3
131.05022	0.9
133.02956	0.5
135.04543	1.3
143.05022	0.8
145.02959	100.0
146.03293	5.8
147.04509	1.0
149.06136	0.4
149.99510	0.2
159.04524	0.7
161.01282	0.3
161.02470	2.7
161.05995	0.3
163.04013	3.2
171.04567	0.5
175.04005	1.5
177.05603	0.8
179.03548	0.4
191.03572	0.3
201.05688	0.2
203.03494	5.7
204.03860	0.3
211.07669	0.5
215.03496	0.4
219.06522	0.4
221.04544	19.6
222.04860	0.9
222.06885	2.2
223.07632	15.9
224.07953	1.6
235.07715	0.4
237.04112	0.3
237.09171	3.2
238.09763	0.6
247.07635	3.9
248.07964	0.5
253.08774	0.5
265.08676	3.9
266.09021	0.4
279.06641	0.2
279.10092	0.2
281.07941	0.3
283.09540	0.3
291.06616	3.3
293.08258	0.2
309.07675	13.5
310.08054	1.4
323.09338	4.6
324.09567	0.6
327.08853	1.4
341.10400	0.3
367.08188	1.0
385.09283	0.7
399.09280	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54200	2.5
50.59220	2.2
59.01379	18.0
61.76305	2.1
69.37696	22.7
69.38046	3.5
69.38225	2.2
71.01382	3.4
75.00880	35.9
76.06019	2.3
89.02434	3.7
93.03492	16.5
101.02439	2.5
102.89394	2.5
109.02954	16.8
113.02489	4.4
119.05003	9.4
121.02972	5.8
130.04219	3.9
131.05006	10.4
135.04494	6.3
140.58199	2.2
143.05020	3.5
145.02969	18.1
146.03720	9.8
147.04549	19.7
159.04532	4.8
163.03984	3.4
175.04063	4.3
175.10803	2.6
197.50441	2.5
201.05647	2.9
219.02864	3.0
223.07539	9.0
229.01289	4.6
233.06075	8.9
235.07584	3.7
237.05531	8.2
237.15096	2.6
250.06332	7.6
250.96098	2.7
251.07138	79.4
252.07515	8.8
253.08698	49.5
254.09056	3.4
261.05606	6.5
278.05820	5.9
279.06607	36.9
281.13919	3.5
297.07651	8.2
311.09290	7.2
323.01791	5.6
323.05627	100.0
324.06076	12.6
341.06671	12.3
399.07224	3.3
443.19186	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	443.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.6
59.53348	1.6
62.85161	1.6
64.15031	1.8
71.01388	1.8
75.00887	26.0
76.52072	1.7
77.25157	1.6
79.08038	1.7
79.30984	2.0
82.47278	1.6
85.47964	1.7
93.03451	8.5
98.19841	4.3
109.02970	11.8
109.03570	1.8
119.05034	7.2
121.02971	5.5
127.53114	1.9
129.03491	2.0
130.04231	3.6
131.04301	1.6
131.05057	15.3
132.05345	1.8
143.04999	6.3
145.02940	12.6
146.03787	12.0
147.04538	18.9
159.04527	3.8
167.05017	2.1
174.16055	1.7
175.04010	5.7
179.03487	2.6
205.06584	2.0
205.10477	1.8
209.06042	2.3
219.02977	6.2
222.06877	2.5
223.07657	6.6
229.01437	4.1
233.06177	4.1
235.07622	2.9
237.05656	6.7
249.05571	2.0
250.06325	6.7
251.07153	66.8
252.07458	6.5
253.08736	63.3
253.11353	3.2
254.09013	6.3
261.05576	6.0
262.06262	3.5
277.03366	3.1
278.05923	5.6
279.03430	3.0
279.06656	36.1
280.06793	4.2
297.07712	10.1
311.09067	2.1
323.05627	100.0
324.05957	11.0
341.06604	17.1
342.07166	2.7
355.08362	2.4
366.79535	2.6
399.07275	2.8
445.50131	2.2
468.60391	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	443.0624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32665	0.5
56.93364	0.6
58.30360	0.6
59.01376	2.6
66.84971	0.5
69.03439	0.7
69.77508	3.8
71.01382	1.1
75.00877	100.0
76.01203	0.9
89.02474	1.2
93.03526	0.6
107.21056	0.6
109.02940	2.9
113.02497	0.9
117.03498	0.7
119.03536	0.8
119.05055	1.1
121.02964	0.9
129.03453	0.7
133.02965	0.6
135.04527	2.8
142.45856	0.6
143.05046	2.2
145.02974	12.0
146.03618	0.8
147.04543	5.3
159.04532	1.4
161.02464	1.6
161.06090	0.8
163.04137	0.7
171.04506	1.7
173.02438	4.0
174.03220	2.3
175.04005	10.0
177.05560	4.3
185.02390	1.1
187.04015	3.9
189.05554	1.1
191.03505	2.9
195.86839	0.6
201.01944	18.9
202.02280	1.4
205.05159	0.8
213.05519	0.6
215.03468	7.0
221.04535	1.9
233.04561	9.1
234.05006	0.9
238.12074	0.5
253.08751	1.9
255.04349	0.6
255.06647	3.9
263.12894	1.2
277.03534	15.8
278.03989	1.1
279.03058	1.1
295.06271	1.7
297.04831	0.7
297.07736	3.5
311.09305	0.7
323.05658	0.9
354.86850	0.6
355.08038	0.9
399.07480	1.1
443.19162	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	441.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.2
57.03450	0.3
58.00605	0.4
59.01383	100.0
60.01717	1.1
61.98844	0.3
71.01386	5.2
71.62124	0.2
72.99327	0.4
73.02949	1.6
75.00880	0.2
83.01398	0.6
85.02961	1.7
87.00894	0.3
87.04535	0.4
89.02445	3.4
95.01411	0.5
97.02969	0.2
99.00878	1.0
101.02447	4.4
101.06084	1.5
102.02837	0.1
111.00922	0.2
113.02453	2.5
119.03515	1.9
125.02454	1.1
125.44943	0.1
128.12535	0.2
131.03502	0.3
143.03522	0.5
161.04578	0.9
178.04733	0.2
179.05656	1.0
203.18153	0.2
214.68690	0.1
237.18668	0.1
279.19656	0.3
315.15927	0.2
361.17068	0.2
381.22375	0.3
397.22571	0.2
399.23932	0.8
432.78073	0.2
441.19141	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32550	1.3
55.53763	1.7
59.01372	10.0
59.33498	1.2
61.98841	2.2
71.01387	3.8
73.02958	2.3
75.00879	7.6
78.70015	1.5
101.02450	2.2
104.05029	2.1
106.06635	100.0
107.06960	4.7
109.02921	2.1
113.02435	1.4
118.06624	3.1
118.70756	1.4
119.04984	1.4
135.04515	2.2
145.02960	4.1
146.06088	1.9
150.05615	84.2
151.05925	5.7
161.02362	4.1
163.04071	1.4
164.07187	12.7
179.03569	1.5
181.23259	1.4
192.06715	8.0
194.04622	14.6
236.05557	2.8
279.02994	1.5
323.05591	2.2
398.10989	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	443.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.5
62.91407	1.3
70.25562	6.5
71.01377	4.7
72.99297	2.9
74.58103	1.6
75.00878	100.0
89.02451	2.8
93.03429	3.8
98.20588	1.9
101.02432	3.8
109.02962	31.4
113.02351	1.7
117.03470	3.0
119.05033	3.5
121.02910	1.9
135.04553	7.2
136.61971	1.6
143.05092	1.6
145.01877	2.0
145.02971	31.6
147.04576	2.6
159.04527	5.2
161.02464	7.3
161.04771	2.3
161.05977	7.8
161.85861	1.5
163.03963	2.3
173.00963	1.8
173.02437	1.9
174.03180	1.6
175.04016	4.3
177.05580	6.8
179.03508	5.8
186.03258	3.1
187.04004	9.3
201.01933	3.7
211.07658	6.2
213.01976	2.2
215.03502	2.8
221.04553	3.3
225.05612	2.4
226.23822	1.7
233.04608	3.6
237.05641	6.2
239.03508	13.1
240.04193	2.6
253.05093	9.7
255.06627	4.2
265.08743	3.5
279.03055	4.9
279.06311	1.8
280.03622	2.3
281.04562	60.7
282.04907	5.2
291.06876	2.7
295.06171	1.9
297.07706	6.9
309.07492	2.5
319.72845	1.6
323.05695	27.5
323.09183	2.8
324.05948	3.1
327.08685	3.6
341.06693	15.5
342.06711	2.7
399.07217	12.2
400.07483	3.3
443.19180	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	441.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.7
57.03454	1.7
58.00600	1.5
59.01386	100.0
60.01713	1.4
61.98844	0.7
68.93893	0.7
71.00992	1.4
71.01391	29.1
72.99320	2.0
73.02955	28.4
75.00890	2.3
83.01391	8.4
85.02961	11.7
87.00852	1.2
89.02456	12.4
89.12105	0.6
95.01412	2.2
99.00896	2.3
101.02454	24.7
101.77859	0.6
113.02466	9.3
117.03455	0.7
117.04266	0.6
119.03503	5.3
119.05000	1.5
125.02447	1.7
131.03497	0.9
143.03513	1.6
145.02991	1.2
149.04591	0.9
161.04541	3.3
162.05594	2.0
163.04025	1.5
165.73453	0.6
175.14915	4.6
179.05617	0.8
219.13885	3.1
231.56256	0.7
355.21283	0.8
362.18893	0.9
381.19321	5.3
390.74377	0.7
399.20227	11.9
400.20691	1.6
441.21310	46.9
442.21661	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	441.213
Annotation	Jatamanvaltrate H
Peak:m/z	Relative Intensity
53.13812	0.8
53.72514	0.8
55.01859	1.8
57.03444	4.1
58.00594	1.6
59.01384	100.0
60.01712	1.1
61.98839	8.3
69.03465	1.8
69.47563	4.0
69.47968	2.4
71.01385	44.3
72.99299	2.0
73.02950	66.6
75.00858	1.9
79.46812	0.9
83.01385	17.0
85.02946	4.3
87.00894	3.7
89.02445	10.7
95.01411	2.1
97.02946	1.0
99.00920	1.9
101.02448	46.3
103.71354	1.0
109.06581	2.5
113.02460	11.1
119.03477	3.4
121.10210	5.7
125.02476	1.6
125.09724	4.7
131.03506	3.2
143.03461	2.7
149.04523	1.4
161.04544	4.9
166.33752	0.9
175.14928	10.6
193.15976	2.1
219.13907	26.7
220.14235	3.9
229.14348	1.1
237.14958	22.5
238.15381	1.8
268.04178	0.9
293.52264	1.0
381.19217	7.0
399.20242	13.8
400.20673	2.6
441.21295	86.8
442.21713	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	441.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.9
58.00579	0.8
59.01382	100.0
60.01727	1.7
69.70132	2.3
71.01385	16.7
72.99313	1.3
73.02950	8.9
74.73954	0.6
83.01408	2.1
85.02953	4.5
87.00860	0.8
89.02451	11.5
95.01410	0.9
99.00893	1.2
101.02449	15.3
101.03077	0.9
101.06116	1.1
102.02831	0.6
113.02454	7.1
119.03505	5.6
131.03545	0.8
143.03540	1.6
148.21579	0.5
161.04539	4.1
179.05632	2.6
184.20935	0.5
292.82559	0.4
312.66895	0.5
368.55975	0.5
381.22827	0.6
399.23749	3.2
401.11188	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.7
57.03443	0.8
58.00597	1.6
59.01383	39.9
61.22429	0.6
61.27451	0.5
61.98837	0.6
62.41081	0.6
67.80005	0.5
69.32003	0.6
71.01389	20.5
72.99313	1.9
73.02943	2.5
75.00875	3.6
83.01382	1.1
85.02942	7.1
87.00873	1.3
89.02451	14.0
95.01414	1.6
99.00858	1.7
101.02446	14.1
106.06590	0.7
109.02972	1.8
113.02451	6.9
119.03523	6.9
119.05015	1.7
133.02989	1.2
135.04558	5.1
143.03467	1.0
145.02951	1.3
146.08269	0.8
150.05614	0.7
161.02452	6.6
161.04509	2.8
163.04070	0.8
177.05563	0.7
179.05576	1.1
184.51773	0.5
186.36412	0.5
189.12831	1.3
211.07671	0.7
217.12190	0.8
219.06519	3.2
235.13391	100.0
236.13747	9.1
237.04042	1.1
251.11368	1.3
261.11346	3.1
277.14413	1.8
293.12363	0.8
296.45145	0.6
316.42044	0.6
397.18677	40.3
398.19009	4.6
413.45511	0.6
441.17712	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	441.1899
Annotation	Exiguaflavanone M
Peak:m/z	Relative Intensity
51.45135	17.2
58.87108	18.3
59.01384	38.0
71.01389	20.4
71.57043	24.3
72.99321	25.3
75.00898	31.5
89.02463	27.8
108.75249	16.8
109.02936	33.6
110.62195	17.2
119.05038	20.4
125.33726	18.8
133.06602	25.1
134.19618	18.0
135.04475	22.5
149.06079	73.5
161.02455	35.3
163.04073	19.1
170.88203	17.8
175.07455	21.0
217.08583	26.7
237.04114	37.4
441.13882	28.1
441.19296	100.0
451.77115	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	441.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96811	5.4
58.24637	4.8
59.01381	12.9
71.01397	10.1
73.85967	5.8
75.00878	9.8
83.01399	7.4
85.02979	6.9
96.52171	6.3
101.02426	6.3
106.20490	5.2
109.02942	14.9
112.38576	5.5
119.05070	10.5
125.02450	24.3
126.69073	5.0
135.04453	7.6
145.02924	13.5
149.04930	4.3
149.06078	100.0
161.02489	10.5
161.04405	5.9
163.04028	10.9
165.18161	5.0
184.21832	5.3
185.79359	6.1
193.05101	10.3
195.63760	5.4
198.09723	5.0
205.12262	6.9
231.02724	16.4
237.04051	85.7
323.93854	5.8
368.92715	5.7
377.12753	5.4
441.10645	12.7
441.18787	51.5
442.19305	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	441.1405
Annotation	Pubescenoside A
Peak:m/z	Relative Intensity
55.01870	0.7
57.03458	0.7
57.63033	0.3
58.00591	0.3
59.01384	100.0
60.01720	1.0
66.33150	0.2
67.16146	0.2
67.49132	0.2
67.60880	0.2
67.85081	0.2
69.41525	2.0
69.41925	0.6
70.43123	0.2
71.01391	8.5
72.99313	0.5
73.02945	2.4
75.00876	2.2
79.95734	0.2
80.05386	0.3
83.01408	1.4
85.02956	4.1
87.00880	0.5
89.02457	3.9
89.06139	0.3
93.03516	0.4
95.01410	0.9
97.02982	0.3
99.00912	0.7
101.02448	8.7
109.02967	1.0
113.02468	4.5
119.03539	1.5
119.05086	0.3
121.02960	3.1
125.02430	0.3
133.02928	0.6
135.04535	3.2
135.05350	0.3
143.03479	0.6
145.02921	0.6
153.01971	0.5
159.03004	0.7
161.02478	3.6
161.04553	3.6
165.01949	0.5
177.05585	0.4
219.06622	1.5
233.10371	1.3
237.04103	0.6
241.50137	0.3
251.11356	12.9
252.11746	0.6
293.12439	10.3
294.12943	0.9
441.13654	2.1
441.22302	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01716	1.6
61.98820	1.9
69.45882	6.4
69.71362	1.0
71.01382	7.2
72.37212	0.8
72.59212	0.8
73.02958	2.3
75.00883	4.0
81.03446	1.0
83.01377	1.5
85.02953	2.9
89.02471	2.6
93.38429	0.8
98.20635	1.7
99.00884	1.3
101.02448	6.3
109.03042	0.9
111.00837	1.0
113.02463	2.8
115.50063	0.7
117.73608	0.9
119.05042	1.9
135.04526	1.2
143.03543	0.9
145.02998	0.9
157.43646	0.8
161.04643	1.3
163.03926	0.8
185.11794	1.9
186.12094	0.9
212.96123	0.9
214.89577	0.9
246.46745	0.9
293.17508	2.8
293.21014	0.8
311.18613	9.3
312.19098	1.1
353.19806	1.7
381.22604	1.1
397.26193	2.0
399.23953	1.9
423.27536	2.2
441.28888	2.7
460.35471	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	16.1
58.03774	0.3
59.01383	2.3
61.98839	0.3
65.00331	6.4
70.62006	0.3
70.62334	0.5
74.82487	0.2
78.39926	0.2
81.03458	2.7
83.01392	8.0
85.02949	0.2
89.02451	0.2
100.90198	0.2
102.44994	0.2
122.03588	0.3
123.04478	0.3
125.02452	100.0
126.02775	3.8
195.17580	2.5
219.17542	3.4
235.20624	0.6
237.18596	3.7
238.18869	0.4
239.16528	1.1
255.19662	4.5
256.19995	0.5
259.20615	1.6
260.20938	0.3
261.18567	1.1
277.21759	0.9
279.19699	3.3
297.20651	0.9
303.19681	4.7
311.22388	0.3
321.20731	9.2
322.20996	1.3
323.18329	0.4
347.18436	0.5
353.23117	0.3
365.19791	1.7
366.20200	0.3
395.24365	3.1
396.24811	0.5
397.22220	0.9
439.23352	34.7
440.23712	6.4
440.29071	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90366	2.3
59.01381	100.0
60.01731	2.3
63.61596	2.2
71.41210	4.8
93.48860	2.3
99.92583	4.2
105.37804	2.6
164.76151	2.3
224.64986	2.2
247.02432	2.7
339.20096	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	440.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.2
59.01382	43.8
61.98833	100.0
62.56050	1.1
63.20857	1.0
63.46008	1.1
65.40578	1.0
69.93822	2.2
69.94224	2.5
71.01397	11.2
73.02951	15.2
76.90305	1.1
80.07799	0.9
80.62304	0.9
83.01392	4.4
83.56672	0.9
85.02972	2.3
89.02472	2.0
97.94590	0.9
101.02456	13.1
101.23341	1.1
104.06089	1.0
113.02460	3.3
125.02462	2.3
161.04524	2.3
175.14914	2.3
219.13904	7.8
237.14961	5.6
244.62376	1.0
277.78299	1.1
291.18140	1.9
381.19046	1.5
399.20215	5.5
441.21292	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	440.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	32.7
60.01724	0.6
61.98835	100.0
69.93478	2.7
70.43328	0.6
71.01382	3.0
73.02981	1.4
75.00877	0.8
83.01395	0.7
84.12722	0.6
85.02966	1.4
98.19870	1.0
101.02464	2.3
113.02474	0.9
122.77518	0.6
174.35739	0.6
179.03564	0.6
211.13528	0.6
229.14478	0.9
268.37402	0.7
291.18259	2.2
352.40076	0.7
364.61472	0.7
423.27753	0.9
440.30521	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	14.5
58.03782	0.2
59.01383	2.7
59.55182	0.2
65.00331	6.2
69.28337	0.9
69.28764	1.4
81.03465	3.2
83.01392	7.1
89.02445	0.4
91.04012	0.4
95.05095	0.2
98.20354	1.2
99.04544	0.2
113.02509	0.3
115.68115	0.2
125.02458	100.0
126.00433	0.2
126.02797	3.5
129.02025	0.2
142.14409	0.2
195.17548	2.0
219.17546	3.7
220.17784	0.3
235.20735	0.6
237.18614	4.4
238.18974	0.4
239.16551	1.0
255.19661	5.4
256.20050	0.6
257.17654	0.4
259.20660	1.4
261.18631	1.1
277.21689	0.5
279.19666	2.8
280.20001	0.3
293.21176	0.4
297.20749	0.5
303.19678	4.2
304.19925	0.4
311.22180	0.3
312.36505	0.2
321.20712	9.3
322.20990	1.4
347.18567	0.4
353.23480	0.3
355.21536	0.4
365.19638	2.4
367.00757	0.3
395.24399	2.7
396.25101	0.7
397.22391	0.7
439.23395	35.0
440.23697	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29810	1.5
59.01383	7.7
61.98817	4.6
69.03437	2.5
70.06187	2.7
70.06561	6.4
71.01392	4.9
72.99321	8.1
73.02951	5.4
75.00877	96.8
78.95924	9.9
79.45441	1.5
81.03474	2.0
83.05029	2.0
93.03468	22.7
96.96021	13.8
96.96958	20.4
99.12482	1.7
101.02450	1.8
109.02963	4.9
111.04500	4.3
117.03465	7.7
118.96609	4.9
119.05035	26.7
123.04549	2.1
125.06097	2.2
132.05804	2.0
132.98178	2.0
133.06580	5.9
135.04517	7.1
137.02397	3.9
145.02968	100.0
145.06656	2.0
146.03300	5.7
147.04556	3.4
155.03537	2.0
160.97705	2.7
161.02438	3.2
161.06081	11.1
163.04007	11.0
173.04657	2.1
173.06090	3.9
179.03513	2.8
185.09592	2.5
187.07634	3.8
189.09213	2.9
191.00230	4.6
193.06641	2.6
195.08080	4.2
205.98930	2.7
211.07616	2.9
213.09181	6.8
215.07117	2.4
217.00272	6.6
221.04581	34.7
222.04826	2.2
231.10268	3.5
233.01263	2.9
234.99142	4.2
248.97058	2.6
259.01324	3.4
275.09241	12.8
276.09586	2.0
277.00040	8.5
291.01779	2.0
293.10367	10.4
319.08276	21.0
320.08496	2.8
337.09314	86.2
338.09698	8.3
351.00302	5.9
351.10867	3.6
394.98807	1.9
395.09872	14.4
439.06125	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	439.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	8.9
60.99309	15.1
71.01383	3.4
71.21396	1.9
73.02943	3.0
75.00861	4.5
82.72532	1.0
85.55667	1.0
88.98813	100.0
89.99176	1.5
101.02467	2.4
108.00878	1.0
113.02428	1.5
131.17137	0.9
145.02934	1.1
262.05173	1.0
319.98206	1.0
439.19464	1.6
441.53409	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1247
Annotation	Poliothyrsin
Peak:m/z	Relative Intensity
54.43097	0.9
55.01863	1.0
57.03450	19.9
59.01377	7.9
69.03471	2.2
69.49760	6.2
71.01386	29.3
72.99316	1.2
73.02948	9.0
75.00884	2.6
78.95902	1.3
83.01410	2.9
83.05019	1.1
85.02955	13.8
86.00111	1.0
87.00880	1.3
89.02464	3.0
93.03468	9.8
95.01406	4.2
95.05052	1.7
96.96018	7.9
96.97015	1.2
97.02960	5.9
99.00900	4.5
101.02444	13.0
109.02931	1.6
111.00874	1.6
111.04519	0.9
112.01656	1.8
113.02454	38.9
114.02788	1.1
117.03466	3.2
119.05032	100.0
120.05361	5.3
120.56406	0.8
121.02937	3.0
123.04514	1.1
125.02447	3.1
132.05722	1.3
133.02953	1.1
133.06590	24.5
134.03755	3.7
135.04500	3.6
137.02502	1.7
139.04033	17.9
143.03508	1.8
145.02925	7.0
145.06627	5.5
146.03691	2.0
147.04552	1.2
149.06035	1.3
158.03798	1.4
159.03021	2.6
159.04478	1.6
161.02513	1.5
161.04558	29.3
161.06053	9.5
162.04915	1.4
163.04016	18.8
164.04391	1.0
171.04454	1.5
173.06068	10.2
179.03346	0.9
187.03976	1.1
187.07559	1.0
189.05556	2.0
191.07068	8.7
195.82779	0.9
205.03406	1.1
215.07100	6.6
216.04248	2.2
217.05017	12.2
218.05344	1.1
221.18173	0.9
233.08151	2.5
235.06104	4.8
259.06128	3.8
275.07785	8.8
277.07175	67.9
278.07440	7.1
285.04080	1.2
301.09235	3.8
334.15405	0.9
376.77090	0.9
379.10315	3.1
439.12439	38.1
440.12720	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	439.0744
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.8
70.45502	0.8
70.45856	0.9
71.01369	0.9
71.18609	0.4
75.00883	1.3
78.95907	24.9
79.95737	2.1
82.80395	0.4
87.59821	0.4
89.02422	0.6
93.03452	0.4
94.95700	1.1
96.92213	1.0
96.96010	100.0
96.96957	54.4
97.95937	0.8
98.20587	0.5
103.98123	0.4
119.04974	0.4
120.95372	0.4
123.76726	0.4
145.02968	0.7
178.97905	0.4
215.66547	0.4
242.24956	0.5
244.09460	0.4
255.79764	0.4
268.46280	0.4
337.09451	1.1
341.10904	0.8
439.08218	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
60.96913	0.4
71.01389	0.7
71.30777	0.6
71.31118	1.1
72.99339	0.5
75.00874	5.4
78.95905	48.7
79.95731	1.6
89.02448	0.7
93.03483	1.2
96.96011	97.0
96.96957	100.0
97.95937	0.6
103.19189	0.5
111.04510	0.5
118.96610	0.8
119.05020	1.3
132.98232	0.5
145.02971	4.5
161.06006	0.7
179.05565	0.5
207.63568	0.5
217.00296	1.1
221.04546	1.4
319.08273	1.2
337.09244	4.8
341.10913	0.6
395.09842	0.8
439.08682	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	439.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02233	0.5
59.01379	1.2
61.78053	0.5
71.01393	0.8
71.60050	0.9
75.00875	6.4
78.95911	44.0
79.95731	2.5
83.29715	0.5
93.03468	0.6
94.08041	0.5
96.96026	100.0
96.96972	94.1
117.03432	0.5
117.83898	0.5
118.96649	0.9
119.04984	1.4
132.65446	0.5
133.55592	0.5
145.02979	4.7
213.09203	0.7
217.00252	1.2
221.04602	1.3
259.01175	0.9
275.09167	0.6
319.08084	1.1
326.22879	0.5
337.09329	3.4
338.09854	0.8
346.59708	0.5
439.08566	1.6
448.50598	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01096	1.5
59.01383	28.3
60.01714	1.3
61.98835	100.0
69.18015	0.8
71.01387	3.0
73.02946	1.2
85.02944	1.7
99.00886	1.2
101.02419	1.9
193.54749	0.7
289.16574	2.7
313.12021	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14753	18.4
57.34812	22.1
59.01393	29.4
70.63804	69.8
75.00838	24.8
79.79737	18.7
90.04814	19.6
108.25011	20.5
145.02837	20.8
145.80293	17.9
161.02371	23.3
165.07423	46.6
165.55388	22.4
169.65691	20.4
194.85402	20.9
233.15608	21.1
245.42310	19.8
267.36688	23.5
308.16855	100.0
333.62201	21.0
375.18192	23.1
382.11990	21.0
460.12677	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	438.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99147	2.6
56.16120	2.4
61.98834	100.0
69.28160	12.7
69.28584	12.7
72.15320	2.6
72.76855	2.3
98.20670	4.3
114.26997	2.5
131.83498	2.3
145.02986	5.1
145.88715	2.6
233.21889	2.9
348.28577	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	437.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01724	1.0
61.04268	0.6
63.73576	0.7
75.68825	0.7
78.57215	0.6
90.60250	0.6
98.19856	1.7
106.89967	0.6
108.04111	0.6
110.25945	0.7
132.72057	0.6
141.05453	0.6
229.45540	0.7
234.15575	0.6
261.51239	0.6
354.13519	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16363	2.7
59.01095	5.7
59.01384	100.0
61.98833	3.7
70.08979	12.3
79.09454	2.5
81.54159	2.7
96.95985	2.9
301.20209	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	438.162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23615	0.7
57.03445	0.9
59.01385	50.2
60.72604	0.7
61.98834	100.0
71.01393	8.0
71.61714	1.5
73.02954	3.6
75.00886	8.3
76.27264	0.7
83.01379	1.4
85.02956	3.1
89.02448	3.2
93.03487	1.2
96.96026	0.9
99.67738	0.7
101.02454	7.5
109.02971	2.4
113.02473	2.5
119.03551	0.9
119.05035	3.2
131.05026	0.8
135.04555	2.1
137.02473	2.1
140.52454	0.8
143.03557	0.9
145.02977	2.6
161.02490	1.5
161.04568	1.6
163.04022	1.4
168.06627	1.5
220.92841	0.8
227.03467	2.6
227.07066	1.1
228.03876	1.5
235.13336	1.6
253.08743	2.0
255.03009	2.3
256.03482	1.1
284.03259	3.2
285.03918	3.8
286.04385	1.4
305.19702	1.1
386.58386	4.9
387.08591	1.7
439.13852	4.6
439.19330	1.1
439.27957	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.98824	1.7
71.41576	3.9
74.77631	1.5
75.05257	1.5
77.73167	1.9
78.95903	3.2
79.54210	1.6
80.52509	1.6
83.03399	1.8
96.96022	3.5
133.34244	2.0
152.99687	3.0
154.00008	1.6
184.63374	1.7
333.27634	2.0
403.64536	2.0
427.41537	1.8
435.34744	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	437.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.3
58.00604	1.2
59.01388	33.7
60.96909	0.9
62.97003	1.0
71.01390	28.3
71.54661	1.0
72.99301	1.4
73.02951	15.2
75.00879	15.2
83.01386	5.8
84.00918	1.6
85.02959	7.7
87.00882	1.2
89.02452	19.9
90.56243	1.0
98.20628	2.4
99.00881	2.3
101.02454	26.0
101.06094	100.0
102.06427	3.2
103.39140	0.9
113.02462	6.5
115.07675	3.0
119.03516	1.3
125.06079	2.0
131.03526	17.4
135.04535	1.1
143.03491	1.2
143.07156	2.6
143.15620	0.9
149.04536	7.7
150.13074	0.9
161.04553	1.8
182.92336	1.0
184.13049	1.0
188.08325	1.4
191.05675	11.1
233.06651	7.9
275.11386	1.8
437.23718	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	437.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11962	0.7
59.01384	100.0
60.01751	0.8
66.19368	0.8
69.54792	4.1
70.69286	0.8
71.01385	6.8
72.99342	0.8
73.02972	1.6
75.00871	8.8
85.02969	2.1
87.04523	33.4
89.02454	1.1
99.00887	0.9
101.02465	3.9
109.02958	1.1
113.02458	2.0
117.03513	1.0
118.61213	0.9
121.03024	1.2
121.78889	0.7
133.02957	1.6
134.03741	1.0
135.04585	2.0
136.01761	0.8
137.02452	0.9
141.86131	0.7
145.02998	3.1
159.04517	1.1
161.02495	2.8
161.04576	1.9
162.02870	0.7
163.03906	0.9
187.20126	0.7
191.03510	1.6
195.51523	0.7
227.03510	0.9
227.07237	1.5
233.15622	1.4
243.64781	0.8
249.84404	0.7
255.03046	1.8
275.16595	0.9
284.03320	1.6
285.04163	2.2
330.10718	0.7
344.89529	0.8
368.28961	0.8
377.19861	1.0
395.20959	2.5
419.27936	0.9
437.29791	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99746	15.6
58.07981	16.4
59.01387	89.2
61.98831	33.5
69.53141	100.0
75.00872	53.3
96.96039	21.8
105.67145	16.1
110.83698	16.7
119.04976	19.9
158.95789	15.8
185.53267	17.4
192.49075	16.6
356.40308	17.6
356.45013	18.9
377.37750	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	435.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01227	0.6
55.01878	6.5
57.03455	4.5
58.00594	2.2
59.01383	100.0
60.01723	1.5
61.21897	0.5
61.98833	0.6
69.03472	2.4
69.19922	0.6
69.38209	1.2
69.38605	4.1
71.01385	82.7
72.01724	1.6
72.99309	3.2
73.02951	28.7
75.00867	4.8
81.03461	1.4
83.01393	19.1
85.02956	39.1
86.03316	0.9
87.00877	3.2
89.02445	13.6
89.02982	0.7
91.49791	0.5
95.01389	4.7
97.02939	3.8
98.20580	1.0
99.00890	11.2
99.01487	0.6
99.04513	0.6
99.08194	0.7
101.02448	58.5
102.02835	1.4
103.04026	6.2
109.02898	0.6
111.00931	1.1
113.02451	25.4
114.02827	1.1
115.04041	0.6
119.03484	4.0
119.05042	1.2
121.03043	0.7
125.02438	9.0
127.11348	1.8
129.01985	1.0
131.03514	0.7
133.03017	0.8
135.04611	1.1
139.11362	0.6
143.03511	4.3
145.05186	1.8
159.03004	5.9
159.04208	0.9
161.04561	33.9
162.04985	1.2
163.06111	3.8
205.03685	0.9
205.07298	1.1
229.07385	1.2
247.06238	0.6
247.08505	2.5
255.19847	1.1
273.20740	5.3
274.21545	1.0
289.12076	1.4
289.13629	1.5
289.16568	43.9
290.16974	5.1
307.10333	0.7
328.96078	0.6
375.20267	1.3
375.24371	1.2
381.18774	0.7
417.25211	1.4
435.26801	37.3
436.27042	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01717	1.7
61.98835	0.4
70.37193	1.3
71.01389	1.9
73.02943	0.6
75.00877	8.8
81.03470	0.6
84.05899	0.4
85.02957	0.9
89.02500	0.6
93.03493	0.8
97.76283	0.4
99.00932	0.5
101.02499	1.3
103.81048	0.4
107.55372	0.4
109.02983	0.5
112.28314	0.3
113.02449	0.6
117.03477	1.1
119.05034	8.4
120.05439	0.7
121.02983	0.4
122.06158	1.3
122.27691	0.4
123.04572	1.2
125.02390	0.4
135.04575	1.0
145.02960	7.5
146.03389	0.5
150.05632	3.1
157.34103	0.4
160.20581	0.4
161.04607	0.5
163.04027	6.4
167.03542	2.3
168.03835	0.4
168.06685	1.9
176.03630	0.6
177.05608	0.8
194.04596	2.3
221.04608	1.5
227.03711	0.5
239.11861	0.5
248.91708	0.4
257.03903	0.5
273.07721	3.3
287.04636	0.9
290.13202	0.5
299.61322	2.2
300.11505	0.4
304.14520	0.5
334.15607	0.5
346.19470	0.7
362.18845	3.5
363.19144	0.8
381.18726	0.5
392.19949	0.9
435.11652	0.7
435.22034	5.6
436.22952	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.2
60.83482	0.3
70.93780	0.4
70.94099	0.5
72.14738	0.3
87.77995	0.3
89.02441	0.5
91.04021	0.8
91.75078	0.3
100.45110	0.3
102.46769	0.4
106.62753	0.3
117.03471	17.1
118.03764	0.6
119.05032	8.1
120.05395	0.5
121.02948	1.8
123.04546	0.6
127.63319	0.3
133.02937	0.6
145.02959	100.0
146.03302	6.4
148.41519	0.3
148.67181	0.3
162.03285	0.4
163.04005	4.6
164.04549	0.4
169.15976	0.6
200.70673	0.3
215.16537	8.6
216.16891	0.4
251.61031	0.3
275.20181	2.4
288.52075	0.3
299.20172	0.7
325.20294	0.3
343.19138	18.0
344.19455	2.6
350.57419	0.3
361.16583	0.2
361.20200	17.4
362.20602	2.6
435.23859	36.4
436.24188	6.0
457.18387	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21581	0.2
50.37917	0.2
59.01377	1.7
69.45039	1.5
71.01427	0.3
87.55435	0.2
88.62923	0.2
89.02448	0.4
91.04000	1.0
108.36870	0.2
109.14632	0.2
117.03475	17.9
118.03815	0.7
119.05038	8.9
120.05381	0.6
121.02968	2.3
121.03752	0.3
123.04540	0.7
133.02957	0.6
134.03766	0.4
140.11555	0.2
145.02962	100.0
146.03305	5.4
162.03305	0.5
163.04024	4.6
167.91090	0.2
169.15933	0.5
174.85567	0.2
188.89850	0.2
197.15588	0.3
215.16518	8.7
216.16835	0.6
225.14252	0.2
275.20160	3.0
276.20422	0.3
299.20126	0.8
343.19141	22.0
344.19473	3.3
361.20209	18.9
362.20544	2.0
435.23868	37.4
436.18179	0.3
436.24280	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.5
57.03448	0.8
57.51880	0.4
59.01382	100.0
60.01717	1.2
69.44083	2.4
69.44502	1.1
71.01386	4.6
71.45724	0.4
73.02955	1.7
75.00906	1.1
77.08395	0.4
77.53818	0.4
77.81168	0.4
83.01397	1.7
85.02938	2.0
89.02470	1.0
95.01381	0.9
98.19901	1.0
99.00923	0.9
101.02438	4.1
113.02470	1.6
125.02463	0.9
161.04633	0.9
207.83003	0.4
303.23160	1.0
305.21298	0.6
310.19821	0.4
345.24457	0.5
352.65384	0.5
373.20825	0.5
373.26083	0.6
389.23392	1.1
391.26941	4.8
433.22397	6.5
433.28180	2.3
434.22836	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01722	1.9
61.57296	0.6
78.95934	0.7
83.15282	0.7
91.04026	1.7
118.20151	0.7
136.09560	0.6
148.14691	0.7
237.69534	0.7
299.26025	1.2
299.99252	0.8
433.04025	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84912	0.2
55.01891	0.4
57.03449	0.6
58.00605	0.7
59.01385	100.0
60.01719	10.2
60.02031	0.4
61.01815	1.4
66.98824	0.2
69.03461	0.2
69.64158	1.1
71.01387	11.8
72.01731	1.4
72.99325	1.0
73.02958	2.9
74.03313	0.3
75.00880	4.3
76.28311	0.2
83.01381	1.4
84.01731	0.5
85.02955	4.0
85.03440	0.3
86.03296	0.8
87.00896	0.6
87.32317	0.2
89.02454	7.0
89.02995	0.4
90.02800	1.0
93.03487	0.2
95.01416	0.5
99.00904	1.2
101.02454	7.4
102.02795	2.1
107.01423	0.3
109.03010	0.5
113.02460	3.5
114.02818	1.0
119.03524	2.8
119.05054	0.6
120.03886	0.4
121.02964	0.5
123.04522	0.3
123.08128	0.4
125.02451	0.6
125.09749	0.7
131.03526	0.3
134.06166	0.3
135.04562	0.6
143.03563	0.6
145.02989	1.3
149.04480	0.3
151.00386	1.3
152.00742	0.6
158.72339	0.2
159.03038	0.4
161.02565	0.3
161.04579	2.6
161.05905	0.4
162.04945	0.8
163.00327	0.2
163.04016	0.4
177.05573	0.2
178.99910	0.6
179.05681	1.2
180.00150	0.3
180.05995	0.3
187.09689	1.9
216.04221	0.3
218.11310	0.2
227.99266	0.2
228.16920	0.3
229.08725	0.3
243.03128	0.5
244.03430	0.9
255.02936	1.0
256.03348	1.9
269.08481	0.2
271.02548	2.5
271.05487	0.3
271.19208	0.3
272.02823	4.0
272.19553	0.7
273.03091	0.4
273.17480	0.2
273.20734	0.5
300.02765	2.9
301.03189	8.3
302.03864	6.5
303.04080	0.5
348.16998	0.3
374.22729	0.9
375.20428	0.3
391.23453	0.7
392.23746	5.3
393.24088	0.7
434.08078	7.0
434.25659	2.2
435.08618	0.7
435.22473	1.6
435.27222	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01721	1.0
69.61995	4.7
71.01387	6.0
73.02959	1.4
75.00883	2.2
81.52415	0.6
83.01399	0.8
85.02963	2.5
89.02457	3.3
93.03477	2.9
98.19906	1.3
101.02444	4.9
113.02493	2.2
119.03520	1.0
119.05081	0.6
119.26123	0.7
128.35165	0.7
138.09090	0.6
161.04588	3.0
197.11832	1.0
229.05026	0.8
302.12738	0.6
373.22241	6.0
374.22491	0.8
433.23911	1.8
433.28491	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	433.2596
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
53.50393	0.2
54.25763	0.2
59.01365	0.7
66.01694	0.2
70.04188	1.0
78.95901	4.5
93.03458	1.6
96.96955	0.5
98.85848	0.2
105.03452	0.4
111.04516	0.4
117.03486	1.6
121.03006	0.2
121.15900	0.2
132.02156	0.9
133.02963	20.5
134.03807	1.5
135.04535	8.6
136.04897	0.2
137.02432	2.6
139.04053	0.5
152.99593	7.7
155.03500	1.4
161.02448	100.0
162.02792	5.8
178.02657	0.3
179.03487	2.0
214.34741	0.2
225.22034	0.4
243.89609	0.2
253.21718	0.2
271.22769	9.9
272.23264	1.0
277.21616	0.5
304.84988	0.2
329.07974	0.2
347.25815	0.7
415.24881	2.2
433.25958	41.0
434.26318	7.5
434.32449	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.7
57.03449	1.6
57.51379	0.6
58.00599	1.6
59.01384	100.0
60.01722	1.7
64.07997	0.5
65.00320	0.9
69.71840	1.5
69.72269	1.9
71.01389	36.3
72.01728	1.0
72.99318	2.0
73.02954	6.2
81.03488	0.9
83.01389	4.3
84.12069	0.5
85.02953	11.0
86.64499	0.6
87.00880	2.3
87.04527	1.4
89.02453	27.5
90.02766	0.5
90.50359	0.5
93.03457	1.1
95.01392	2.6
99.00876	2.6
99.04556	0.6
101.02451	24.8
107.01399	1.6
107.05097	0.6
108.02198	0.7
109.02963	1.1
113.01688	1.0
113.02456	14.5
119.03514	12.9
119.04900	0.7
121.02956	1.4
125.02483	1.8
131.03493	1.5
135.00861	0.6
137.02409	0.7
143.03517	3.6
145.03001	0.6
148.01659	1.1
149.04529	1.3
151.00360	6.2
151.92963	0.6
159.02934	1.3
161.04576	11.5
163.00375	1.6
178.99825	3.1
179.05649	5.0
185.06136	1.5
209.06105	0.6
211.03908	0.7
225.05563	0.6
226.02643	1.0
227.03497	2.1
227.07150	6.6
228.07509	0.8
229.04973	0.6
243.03044	6.5
244.03479	1.0
245.04459	0.8
253.05083	3.5
253.18059	0.7
254.02225	1.2
255.03004	16.6
256.03317	1.3
271.02444	35.2
271.06018	7.7
271.19141	2.3
272.02924	5.3
272.05814	0.9
272.19241	0.6
299.02072	1.0
300.02768	64.4
301.03464	24.5
302.03851	1.7
333.19009	0.9
373.22488	1.3
391.18927	0.8
391.23795	2.7
415.23343	1.4
433.07648	36.3
433.19885	2.9
433.25320	7.3
434.07822	4.8
453.91553	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.2
57.03449	2.9
58.00586	0.7
59.01385	39.7
61.98820	1.0
69.03465	1.4
69.27018	5.7
70.23550	0.5
71.01388	17.4
71.57063	0.6
72.99298	1.9
73.02953	4.6
75.00867	1.3
81.03459	1.9
83.01382	4.3
85.02953	7.3
87.00895	3.4
89.02451	1.5
95.01391	1.8
97.02926	1.2
99.00865	2.0
101.02459	8.2
111.00871	1.1
111.03861	0.7
112.01640	1.1
113.02458	5.3
123.04523	3.0
124.01640	1.8
125.02454	11.0
128.10236	0.5
143.03529	0.6
167.03499	6.0
183.17551	1.4
208.56233	0.5
211.17044	1.2
229.18082	36.9
230.18488	2.5
241.18036	0.9
243.19659	1.3
265.14401	0.6
271.19165	0.9
288.74048	0.5
307.15594	0.6
373.22321	24.9
373.37137	0.7
374.22607	2.5
389.19955	1.1
391.23389	54.2
392.19043	0.7
392.23764	7.8
415.17685	1.4
415.23035	0.6
433.24377	100.0
434.24783	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	433.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.7
59.01382	100.0
59.14133	0.3
59.44148	0.4
60.01721	1.3
69.03437	0.4
69.30708	2.8
71.01388	8.2
72.99316	0.7
73.02945	2.5
75.00885	1.7
83.01408	1.0
85.02949	3.9
86.01809	0.4
89.02451	4.5
94.77990	0.3
95.01392	0.6
98.15739	0.4
98.20642	0.7
99.00902	0.9
99.44849	0.3
101.02448	6.1
113.02464	3.5
119.03474	1.8
125.48383	0.4
139.55740	0.4
143.03540	0.5
151.00366	0.6
153.09213	0.4
161.04587	1.8
179.05658	1.6
217.10707	0.7
227.16562	0.5
229.18169	0.6
255.02975	0.8
271.02469	1.9
271.19025	0.8
300.02734	3.3
301.03519	2.7
337.45950	0.5
373.22461	1.4
388.53137	0.4
391.23425	8.7
392.23901	1.1
433.07788	1.9
433.24655	2.1
441.35568	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.1
55.39685	0.5
56.85365	0.5
57.03448	3.3
58.00593	2.8
59.01383	100.0
60.01721	1.6
63.02407	0.6
64.27142	0.6
65.00336	2.1
69.03479	0.6
69.54027	3.9
71.01388	45.7
71.05041	0.7
72.01720	0.7
72.99313	3.2
73.02955	5.8
75.00894	1.0
81.03457	0.9
83.01406	4.5
84.02209	0.5
85.02957	13.7
85.03446	0.8
87.00877	2.5
87.04539	1.1
89.02451	44.0
90.02748	0.9
93.03479	2.8
95.01396	2.8
97.02934	0.6
99.00896	2.1
99.04521	0.9
101.02450	29.0
102.02799	1.0
107.01404	4.2
107.03545	0.6
113.02458	18.2
114.02758	0.9
119.03518	19.5
119.05016	10.9
120.03916	0.7
120.05389	1.0
125.02463	1.6
131.03532	2.3
136.01691	0.6
143.03525	4.0
149.04604	1.6
150.16225	0.5
151.00392	15.1
152.00972	0.6
159.03029	1.2
161.04593	10.9
165.01942	0.7
177.02017	1.0
178.99913	1.1
179.05630	9.1
201.31593	0.6
207.64630	0.5
211.30099	0.7
215.19426	0.5
253.14864	0.5
269.04657	0.7
271.06134	32.1
271.19156	5.7
272.06454	3.9
272.19543	0.9
313.07251	0.6
314.15802	0.5
333.19287	0.9
361.18442	0.7
377.35577	0.5
413.79688	0.5
426.49310	0.6
433.11505	2.1
433.24548	17.9
434.24847	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.236
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
59.01384	0.7
59.67172	0.4
62.21904	0.4
78.95909	52.5
88.28695	0.4
96.96963	5.9
150.98073	2.0
152.99599	100.0
153.18521	0.4
153.99931	1.7
171.00635	4.4
215.84616	0.4
226.56474	0.4
270.17642	0.4
279.23337	0.9
282.54669	0.4
301.00012	0.5
326.44693	0.4
326.77844	0.4
433.23615	5.9
434.23804	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84220	0.5
57.03455	14.8
59.01373	2.8
61.37776	0.5
67.35068	0.5
70.36782	2.0
74.93549	0.6
81.03464	41.0
82.03815	1.3
83.01395	6.5
97.06564	0.6
98.20542	0.5
108.02225	0.6
123.04510	1.5
125.02457	100.0
126.02790	3.5
129.24600	0.6
142.34039	0.5
169.30379	0.6
169.52696	0.6
180.36751	0.5
195.17528	1.6
221.19144	6.3
222.19487	1.1
223.17047	2.1
235.20712	1.6
239.20279	1.7
245.19066	6.3
246.19589	0.6
261.22128	4.0
263.20169	13.2
264.20612	1.4
265.17984	0.9
285.22278	3.7
287.20096	3.8
288.20273	0.6
289.18036	3.6
290.63733	0.6
300.02307	0.6
303.23300	2.6
305.21237	1.6
307.19165	41.6
308.19452	5.7
327.23273	2.4
329.21310	2.1
331.19080	0.7
345.24548	1.0
347.22333	2.5
371.22290	4.6
372.22592	0.7
389.23361	13.3
390.23828	1.6
415.21301	10.3
415.26859	0.7
416.21893	1.6
433.22260	14.7
433.28064	0.7
434.22910	2.7
435.82712	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90420	1.0
57.03447	12.2
58.74308	0.9
59.01382	24.6
61.98844	1.3
71.01382	2.6
72.99318	2.6
75.00885	4.2
78.95890	2.1
83.01402	2.6
86.55080	1.0
89.02443	1.4
96.96016	1.9
96.96983	1.2
101.02471	1.4
103.88667	0.9
108.02135	1.1
109.02990	6.7
116.92887	3.3
117.01868	1.1
119.03494	1.2
119.05004	1.4
120.02215	1.8
121.02954	1.6
123.04534	2.3
125.02454	75.2
126.02807	2.0
131.03590	1.1
133.05161	1.2
135.04507	3.2
139.04024	2.3
145.02953	1.6
148.01683	23.1
149.02487	5.2
153.05571	24.4
161.02473	2.3
163.04012	30.2
164.04350	1.9
166.02692	3.0
167.03514	3.9
179.03514	4.0
181.05074	48.2
182.05431	3.4
185.02451	2.5
190.05353	1.2
191.03423	2.1
193.05147	1.6
196.03714	2.6
202.62515	1.1
209.04514	7.9
211.06126	100.0
212.06421	6.7
212.10278	1.2
269.01627	1.5
270.38052	1.2
271.05994	1.9
295.06216	1.9
296.94797	2.4
313.09241	2.6
354.95346	1.9
390.96240	1.2
433.13434	10.9
433.18082	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1141
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
50.87482	0.5
59.01380	37.7
60.01706	0.5
63.02113	0.4
63.02402	2.3
63.26442	0.5
65.00326	7.3
69.77192	2.8
71.01385	5.2
72.00844	0.5
73.02953	1.3
74.85755	0.5
75.00877	1.7
75.08161	0.4
77.50670	0.5
83.01380	4.4
85.02965	1.3
89.02442	3.8
93.03459	8.7
95.01427	0.6
98.19923	0.5
99.00887	0.6
99.34141	0.5
101.02443	2.2
107.01391	12.9
113.02447	1.5
117.03500	0.6
119.03600	1.3
119.05033	36.7
120.05371	2.1
124.01674	0.8
124.37019	0.5
125.02447	2.2
135.04564	1.0
145.02992	1.2
149.02505	0.8
151.00372	46.6
152.01180	6.3
161.04552	0.8
161.06029	0.5
164.01155	0.7
165.01938	1.7
169.01414	1.1
175.00433	1.0
177.01936	5.2
178.99857	6.3
179.05605	0.7
180.00325	0.5
184.20456	0.4
185.05983	0.8
187.03957	0.6
193.01482	0.8
211.13452	0.5
226.06184	0.5
227.07153	1.2
259.06091	1.9
259.29898	0.6
269.04504	4.2
270.04657	1.4
271.06122	100.0
272.06439	10.1
286.04782	0.9
287.05597	1.9
295.06107	1.3
297.47382	0.5
300.02658	1.0
313.07330	2.3
333.01920	0.6
373.09067	0.5
373.18497	0.6
417.00311	0.5
419.21603	0.5
433.11386	5.2
433.20493	1.3
433.25256	0.9
434.11530	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94751	0.5
54.59053	0.6
58.69954	0.6
59.01382	85.3
60.01719	2.7
61.01806	1.3
65.00336	1.3
67.07053	0.5
69.72644	0.6
70.70834	0.6
71.01386	6.5
72.01743	0.7
73.02955	6.0
83.01403	2.3
85.02962	1.7
86.00252	0.7
89.02474	3.2
89.02937	0.6
98.19828	1.2
101.02441	6.4
102.02792	1.3
107.01411	2.9
108.02196	1.6
109.02952	2.3
113.02452	2.5
118.90430	0.7
119.01377	0.6
119.03540	0.8
121.02985	2.0
135.00943	1.1
135.04512	1.2
145.02940	1.3
148.01669	1.0
149.02516	0.9
151.00374	12.3
152.27094	0.6
161.02484	1.1
161.04541	1.5
163.00363	3.6
164.01190	1.1
165.01936	3.6
169.01428	0.7
178.99857	6.4
183.04596	1.0
190.02826	0.6
199.03943	1.4
211.03928	1.8
216.04161	0.7
226.02733	2.9
227.03529	4.4
229.05080	0.9
243.03001	13.8
244.03377	1.7
245.04585	1.4
254.02231	3.1
255.02983	25.7
256.03418	2.8
271.02484	67.9
271.05792	2.1
272.02884	8.7
273.04074	0.8
273.69778	0.6
283.02472	1.1
299.02078	0.9
300.02762	100.0
301.03494	64.3
302.03928	4.9
343.04266	0.8
368.31104	0.7
386.96912	0.6
391.23373	1.4
433.07733	66.6
434.08063	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	432.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16968	0.8
55.87622	0.8
57.03472	1.0
59.01385	8.2
61.98833	100.0
62.99319	0.8
69.31736	8.6
69.71326	0.9
71.01371	1.3
72.31197	0.9
83.01371	1.5
167.03471	1.0
167.14453	6.1
191.14415	1.0
207.17484	2.0
209.15475	11.1
211.13339	2.0
227.16492	1.9
229.18037	1.7
233.15494	6.8
251.16495	16.8
252.16734	1.8
277.14392	1.4
295.15509	6.5
369.19159	50.8
370.19537	6.7
373.22333	1.6
391.23264	3.5
414.11578	0.9
433.24332	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	432.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13228	1.1
56.85968	1.1
57.03453	1.3
58.03940	0.9
59.01382	20.9
59.45044	1.0
60.01728	1.5
61.91613	1.0
61.98832	100.0
66.29443	1.1
69.54893	1.2
75.11108	0.9
83.01398	1.5
89.02451	1.2
91.80554	1.3
106.78905	1.2
131.29993	1.0
145.27695	1.0
167.14417	7.1
209.15460	13.5
210.15901	1.3
227.16501	4.2
233.15393	5.9
251.16496	19.5
252.16936	2.4
295.15463	7.4
369.19156	57.3
370.19638	7.2
432.15952	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83753	0.4
54.62452	0.4
59.01381	20.3
60.62662	0.4
60.94878	0.4
61.98544	0.4
64.73167	0.4
65.00330	0.9
71.01376	1.4
71.41323	0.7
72.74262	0.3
83.01398	0.9
89.02470	0.6
93.03458	0.7
94.53790	0.4
101.02449	1.1
105.20673	0.4
107.01385	1.8
107.05037	0.6
108.02189	1.5
109.02984	1.0
113.88624	0.4
121.02944	1.5
124.01612	0.4
135.00858	1.2
137.02425	1.1
148.01685	1.8
151.00385	7.3
163.00400	2.1
164.01079	0.6
172.98756	0.4
178.99852	3.4
183.04547	0.4
185.06032	0.4
187.03937	0.5
192.00746	0.5
199.03960	0.8
210.97830	0.5
211.03857	0.9
211.13394	0.5
226.02661	1.7
227.03477	3.1
227.07140	1.8
228.03836	0.5
229.05008	0.6
243.02959	10.4
243.05266	0.8
244.03435	1.0
245.04518	0.7
254.02196	2.1
255.02977	24.1
256.03394	1.9
271.02475	54.5
271.05844	1.9
272.02911	6.5
273.04022	0.6
283.02438	0.7
299.02002	1.3
300.02753	100.0
301.03397	29.4
302.03729	2.0
307.77457	0.4
402.79053	0.5
433.07727	53.4
434.08008	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	432.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85558	0.2
58.36752	0.1
59.01383	2.0
66.90568	0.1
67.97182	0.1
68.01423	0.2
69.49469	0.8
69.49881	0.4
71.01390	2.0
73.02950	0.3
77.76279	0.2
83.01371	0.2
85.02961	0.7
89.02449	1.0
93.38132	0.2
99.00887	0.3
101.02454	0.7
104.07338	0.1
110.02512	0.2
110.47202	0.2
111.00906	0.2
113.02444	0.5
123.03277	5.5
123.04185	0.3
136.04118	0.2
138.05620	100.0
139.05959	4.4
140.07188	0.8
159.03027	0.3
161.04581	2.7
180.06665	0.6
182.08264	0.4
190.65868	0.1
300.10904	10.8
301.11237	1.0
432.15057	3.3
433.15323	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54303	0.6
59.01385	100.0
60.01725	1.5
70.63020	2.0
71.01385	2.6
73.02971	1.0
75.00877	1.1
85.02988	0.9
96.96144	0.6
101.02463	1.8
113.02455	1.0
125.02439	1.1
125.09720	0.7
161.02463	0.8
195.10341	1.9
227.03545	1.8
240.04263	0.6
255.03090	2.6
284.03333	2.3
285.04007	5.0
326.34726	0.8
393.10114	0.8
431.09964	2.3
431.26569	5.2
432.27328	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88336	0.4
57.03451	1.2
59.01384	100.0
60.01713	1.2
61.98834	58.3
65.92197	0.4
70.91423	1.1
71.01388	1.8
73.02941	0.6
75.00879	1.6
79.57977	0.4
83.01408	0.8
83.05002	0.4
85.02956	0.5
89.02448	0.9
90.54211	0.4
101.02403	0.9
123.04502	0.4
124.07885	0.4
125.02455	4.0
125.09743	0.6
160.92867	0.4
161.02489	0.6
167.13194	0.4
167.14423	5.0
187.09685	0.8
191.14314	1.0
207.17369	0.9
209.13638	0.4
209.15466	6.9
211.13264	0.6
223.16917	0.5
227.03334	1.5
227.16487	2.6
229.14435	0.6
233.15462	4.4
251.16541	11.9
255.02965	2.4
284.02994	1.7
285.04065	2.8
295.15594	4.0
325.19864	0.8
369.19186	35.1
370.10577	0.4
387.17493	0.6
413.21548	0.5
417.07272	0.4
431.09073	1.5
431.16409	0.7
431.25992	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09594	0.4
54.27760	0.5
55.01888	3.2
57.03456	2.7
58.00600	1.6
59.01384	92.2
60.01721	1.4
61.36870	0.4
69.79113	2.8
71.01388	35.3
72.01758	0.6
72.02137	0.7
72.99320	2.1
73.02956	11.3
75.00890	2.0
83.01395	6.1
84.02171	0.6
85.02959	16.1
87.00883	1.7
87.04533	3.9
89.02448	13.4
95.01395	3.7
99.00895	3.3
101.02452	30.7
108.69949	0.5
109.02925	0.5
110.65815	0.4
113.02458	13.0
114.02827	0.5
119.03518	5.0
125.02470	1.4
129.01974	0.8
129.91942	0.6
131.03508	0.6
135.04541	0.7
143.03465	0.7
146.08374	0.5
156.80695	0.5
159.02997	1.4
160.21004	0.5
161.02478	0.7
161.04584	7.3
163.02043	0.5
179.05598	0.6
184.19955	0.5
203.78104	0.6
212.20975	0.6
227.03505	2.9
250.95158	0.6
251.16508	1.1
255.03058	3.0
256.03534	0.9
268.79703	0.5
269.17456	1.6
284.03302	3.9
285.04037	6.3
286.04330	1.5
343.64349	0.6
371.20627	2.1
371.24698	0.9
387.23853	0.9
413.21716	0.8
431.10709	4.2
431.22751	100.0
432.10660	0.6
432.23065	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	431.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96482	0.6
58.00591	1.1
59.01385	100.0
60.01709	1.3
69.03476	1.1
71.00992	1.4
71.01388	27.3
71.12938	0.8
71.13283	0.9
72.99319	1.9
73.02955	42.4
73.52914	0.6
75.00877	6.7
81.03460	0.9
83.01397	9.8
85.02981	3.0
86.43481	0.8
87.00882	0.6
88.23872	0.6
89.02456	8.8
93.22505	0.5
97.42770	0.6
101.02449	33.6
106.94216	0.7
113.02459	11.1
113.03233	0.7
114.27448	0.6
119.03548	3.2
125.02477	1.8
131.03531	2.7
133.02954	4.8
138.47656	0.6
143.03526	2.2
149.04575	1.8
151.00423	1.6
161.02461	19.4
161.04546	4.6
162.02846	1.6
178.99925	0.8
237.04117	3.1
243.03015	0.8
243.06538	3.2
244.07071	0.8
255.02983	1.4
271.02457	3.4
272.02963	1.1
300.02841	5.9
301.03622	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	431.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.6
57.03438	2.2
58.00589	1.0
59.01385	33.9
60.01701	0.9
60.59065	0.6
71.01382	30.5
72.99304	1.7
73.02951	7.4
75.00851	1.1
80.91662	4.3
83.01390	4.5
84.66346	0.6
85.02957	14.7
87.00881	2.6
87.04531	3.9
89.02453	10.8
95.01376	2.1
99.00885	3.1
101.02451	21.9
113.02456	11.1
119.03490	4.1
143.03419	1.3
159.02992	1.4
161.04573	5.6
175.17369	0.6
197.11815	2.0
220.52113	0.7
251.16499	1.3
255.02985	1.2
269.17554	11.3
270.18002	1.0
284.03134	1.2
285.03903	1.5
387.24002	1.5
431.22809	100.0
432.23166	14.6
442.72321	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.0
57.03445	1.0
59.01382	100.0
60.01721	1.3
69.30124	3.9
71.01384	9.2
72.99296	0.8
73.02959	4.5
75.00860	3.0
83.01402	2.8
85.02951	5.1
87.00896	1.0
89.02448	2.1
95.01425	0.9
97.02969	0.4
99.00898	1.5
101.02451	11.0
109.02950	0.5
112.92860	0.3
113.02465	3.6
119.03489	0.6
121.02966	0.5
125.02461	0.6
135.04575	0.7
137.13571	0.4
143.03513	0.8
147.11830	0.9
151.00316	0.4
159.03032	0.5
161.02495	1.7
161.04570	5.6
165.12904	0.7
179.03661	0.5
209.15550	0.8
226.06621	0.5
227.16508	0.8
243.06561	2.9
244.07008	0.5
255.03085	0.7
271.02463	2.0
300.02759	2.4
301.03427	1.5
359.61447	0.5
371.20938	1.4
389.21799	8.9
389.26489	0.6
390.22464	1.2
431.09750	0.5
431.23511	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83955	0.8
55.01871	1.4
57.03442	1.6
59.01385	100.0
60.01697	0.9
61.46178	0.8
69.03453	1.2
69.94007	4.3
71.00991	1.2
71.01390	20.8
73.02950	6.7
75.00859	3.4
81.56764	0.7
83.01395	2.9
85.02959	9.2
85.45635	0.7
87.00867	1.3
87.04521	1.2
89.02457	7.8
95.01398	1.4
97.02982	0.9
99.00902	2.2
101.02452	16.7
108.02200	4.2
109.02960	2.5
113.02463	8.0
119.03514	2.2
119.04999	1.1
135.04526	0.9
143.03516	0.9
145.02953	2.8
152.01163	5.4
153.01888	2.5
159.03023	1.5
161.04565	10.0
163.04059	1.6
195.10287	1.4
217.10745	1.0
232.68178	0.8
269.04459	1.3
371.20676	16.5
372.20938	1.6
431.10117	7.9
431.22815	34.1
432.10168	1.1
432.23114	4.2
432.28983	1.1
437.55606	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2206
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
55.73354	0.3
59.01390	1.9
61.98832	0.4
62.96432	0.3
67.73651	0.3
70.84338	0.4
70.84680	0.6
71.02618	0.2
78.95908	51.8
96.03036	0.3
96.96965	6.1
98.20262	0.4
118.96552	0.3
125.02473	0.4
125.75671	0.3
150.98015	1.9
152.99596	100.0
153.99944	2.0
171.00645	4.4
196.39662	0.3
227.03554	0.3
245.53827	0.3
255.03020	0.6
284.03366	0.4
285.04053	0.7
291.05673	0.3
297.00064	0.3
324.85260	0.3
431.09912	0.4
431.21909	5.1
431.27866	0.7
432.22513	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35444	0.3
55.01867	0.4
57.03449	0.5
59.01383	100.0
59.72309	0.3
60.01717	1.3
69.70216	2.5
71.01383	5.6
72.99318	0.3
73.02952	1.7
73.06632	0.4
75.00881	1.3
81.95476	0.3
83.01410	1.0
85.02965	2.6
87.00905	0.7
87.04559	0.5
89.02448	2.4
95.01418	0.5
98.20636	0.5
99.00909	0.5
101.02457	4.2
113.02448	2.5
119.03518	0.8
119.38164	0.4
125.02391	0.7
135.04523	0.9
143.03577	0.4
161.04533	2.5
163.00340	0.5
183.04663	0.4
211.03987	0.5
216.00256	0.4
227.03520	10.6
227.16483	0.5
228.03871	1.1
229.05025	0.9
255.03003	12.8
255.05714	0.6
256.03537	2.5
257.04581	0.5
269.17636	1.6
284.03253	10.6
285.04028	12.5
286.04391	1.4
295.60110	0.4
327.25412	0.5
389.21729	2.3
431.09857	13.4
431.22531	7.4
431.27771	0.4
432.09952	1.9
432.23007	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.0
60.99313	14.1
71.01391	1.5
72.99310	1.7
75.00867	2.8
77.82121	0.9
88.98811	100.0
89.02448	13.6
89.99146	1.6
90.67529	0.8
109.02945	1.0
119.03486	1.0
138.07755	0.8
175.02625	1.0
179.05635	1.3
224.83138	0.9
250.50397	0.8
311.05789	1.1
341.10886	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	431.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04750	0.4
55.01899	0.5
56.02847	0.4
58.00573	0.4
59.01383	100.0
60.01715	1.4
71.01386	10.0
72.22773	0.4
73.02957	3.7
73.39701	0.4
75.00867	3.7
83.01398	1.5
85.02954	4.4
87.00895	1.1
89.02448	5.7
95.01387	0.7
99.00884	0.9
101.02448	6.6
104.19756	0.4
109.02949	1.5
113.02450	4.6
118.46022	0.4
119.03545	2.2
119.05027	0.6
123.04529	1.2
125.02383	0.7
133.02963	0.5
135.04543	0.7
137.02498	0.5
145.02963	0.8
147.18141	0.4
152.01154	0.4
159.04457	0.6
161.02499	2.2
161.04520	2.2
209.12178	0.4
209.15582	0.5
223.04169	0.4
225.05510	0.8
227.07140	1.3
227.12898	0.5
227.16489	1.0
237.04085	0.4
252.04280	1.5
253.05067	0.5
255.03152	0.5
271.02570	0.7
279.03021	0.9
280.03821	2.0
281.04602	1.3
293.04639	1.3
299.01987	0.8
300.02563	0.8
301.03317	0.5
321.03979	0.9
329.16046	0.8
371.16968	2.6
371.21002	1.3
372.17361	0.5
389.17719	5.0
389.22775	2.3
390.18390	0.6
413.06656	0.5
431.08023	1.8
431.19183	56.5
432.19458	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2074
Annotation	(-)-Chrolactomycin
Peak:m/z	Relative Intensity
57.03453	13.1
57.03738	0.8
59.01390	2.0
65.00323	2.3
69.67446	1.0
69.67860	1.5
79.05547	1.1
80.02674	0.6
81.03464	10.1
82.03820	0.4
83.01398	6.4
85.07766	0.4
98.20506	0.9
107.01362	0.5
118.21020	0.3
121.06608	3.1
122.03773	1.0
123.04528	13.1
123.63029	0.4
124.04839	0.7
125.02452	100.0
126.02787	3.4
133.06618	0.8
145.06558	0.5
147.04526	1.5
149.02411	2.7
150.02966	0.4
151.00301	0.5
165.05629	2.7
167.03497	3.1
179.62550	0.5
190.02980	0.4
191.03497	0.5
195.17542	5.2
217.19536	0.5
219.17525	5.1
235.09595	0.5
235.20615	2.1
237.18625	1.8
249.44118	0.4
259.20691	8.0
260.20996	1.4
261.18597	11.5
262.18915	0.8
273.22260	2.4
277.21609	0.9
279.19629	0.7
283.20660	0.8
285.04129	0.6
299.23911	0.6
301.21750	13.8
302.22025	2.0
303.19684	9.4
304.19907	1.1
305.17542	2.9
319.22803	1.5
321.20908	0.4
325.21655	1.1
327.19666	3.9
328.19998	0.9
329.17581	0.8
332.78912	0.4
343.22800	6.2
345.20673	6.5
346.20935	0.7
347.18600	4.5
348.18936	0.5
363.21768	1.9
369.20767	1.0
371.18655	1.0
387.21796	17.3
388.22137	2.7
389.19580	2.2
413.20151	0.5
431.20758	70.5
432.21094	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0984
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
53.05920	0.6
58.37314	0.6
59.01384	0.8
60.82423	0.7
61.40648	0.6
93.03465	1.1
103.99826	0.6
107.01391	2.0
114.55907	0.6
122.39805	0.7
132.02263	1.2
135.00911	1.9
141.58910	0.7
143.05124	0.8
151.00349	1.4
159.04541	0.8
163.00386	2.1
183.04416	0.9
185.06029	1.4
187.04034	3.3
189.05446	0.8
195.04570	0.9
197.05988	0.7
198.06360	0.7
211.03929	2.2
213.05571	1.2
227.03506	40.5
228.03848	3.6
229.05099	9.2
229.33624	0.9
239.03497	1.6
241.04973	1.1
255.02989	59.8
256.03491	9.5
257.04590	5.9
284.03278	53.7
284.07907	0.8
285.04041	100.0
286.04413	9.1
292.57312	0.7
416.19614	0.9
431.09851	50.0
432.10342	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	431.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41448	0.8
59.01379	6.5
60.55048	0.9
61.98834	9.3
65.15025	0.8
69.03458	2.4
81.03476	1.7
83.34460	0.8
85.02966	1.4
95.01377	1.3
97.02991	1.2
107.01383	2.0
108.02182	62.1
109.02987	24.8
117.03474	14.3
118.03817	1.2
119.04238	1.6
119.05038	21.5
120.05375	6.3
123.00912	1.4
125.02471	2.5
145.02962	45.3
146.03305	1.8
151.00395	2.6
152.01163	100.0
153.01952	51.0
154.02264	2.1
159.04445	1.3
163.04010	16.6
164.04364	1.6
187.03999	1.2
200.10812	0.8
223.28964	0.9
229.15547	0.9
232.83090	0.9
267.04977	1.9
277.07257	2.4
285.06128	2.4
302.81476	0.9
431.09836	98.7
432.10156	17.4
455.36737	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17783	0.5
55.86267	0.5
56.06784	0.5
57.03442	0.8
59.01384	100.0
60.01726	1.6
71.01381	4.3
71.62447	0.7
73.02943	1.3
75.00880	13.3
75.01287	1.0
76.85185	0.5
85.02966	1.1
87.00922	0.6
87.65074	0.6
88.96031	0.5
93.03497	1.0
98.06519	0.6
101.02441	1.4
113.02478	1.0
119.05066	1.4
121.02960	0.8
125.09794	0.8
129.05399	0.6
136.07759	0.8
145.02989	1.5
158.03773	0.8
159.04565	1.6
161.02475	0.6
161.04593	0.7
163.04027	1.3
172.05376	1.5
173.02538	1.1
173.06071	0.8
174.06917	0.6
175.03963	0.7
175.62312	0.6
177.05627	1.2
183.04651	0.7
185.02457	1.1
187.07718	1.6
187.09816	1.9
197.06099	1.2
199.07730	0.9
200.04822	1.0
200.08450	0.8
201.05652	0.7
201.09236	2.9
211.04030	0.7
212.08586	0.5
214.06306	1.0
215.07138	3.6
215.10643	0.7
223.07692	0.6
225.05545	1.2
225.09285	1.0
227.03574	1.4
228.08093	0.7
229.08771	1.3
234.72807	0.6
240.04282	0.7
241.05110	0.7
243.06770	0.7
244.11060	1.2
252.07858	0.7
253.05124	0.8
253.08769	1.0
255.02994	1.0
255.06679	1.2
255.14088	1.1
256.07489	1.1
265.08710	0.6
267.10217	1.0
267.19690	1.1
269.04504	0.8
281.04941	0.6
281.08258	0.7
283.13492	0.8
296.10791	0.7
324.10416	0.8
325.14529	0.9
327.08969	0.7
327.12421	0.9
327.15933	0.7
353.13931	6.1
371.15222	1.3
385.12845	0.8
429.10376	1.1
429.15768	1.7
429.24994	5.9
430.25723	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2131
Annotation	Dehydroradiosumin
Peak:m/z	Relative Intensity
55.01877	2.4
57.03455	2.5
58.00602	0.7
59.01384	100.0
60.01714	1.3
65.07847	0.4
66.92522	0.5
67.01897	0.5
69.03461	0.6
70.79390	0.9
70.79727	0.7
71.01386	25.7
72.01747	0.6
72.99334	1.0
73.02956	10.6
75.00887	1.9
83.01399	5.4
85.02959	15.6
86.00098	0.6
87.00888	2.2
87.04531	0.7
89.02464	5.1
90.54626	0.5
91.50570	0.5
95.01408	2.4
97.02973	0.8
99.00895	4.5
101.02451	23.5
104.11024	0.5
111.00917	0.8
113.02454	12.2
119.03496	1.1
125.02492	1.4
143.03491	1.7
145.02924	0.7
159.03012	1.5
161.04565	10.4
191.14423	0.5
225.09229	3.0
225.14957	1.0
226.09593	0.5
285.03931	0.5
309.15070	0.5
343.21262	18.9
344.21640	2.7
369.19183	4.0
387.20105	9.2
387.24112	0.7
429.21158	36.6
430.21533	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	429.2135
Annotation	Dehydroradiosumin
Peak:m/z	Relative Intensity
51.83702	0.4
55.01885	3.0
57.03444	2.2
58.00610	0.9
59.01386	100.0
60.01723	1.4
68.15911	0.4
68.99850	0.6
69.03467	0.7
69.45067	3.0
71.01389	30.6
72.01726	0.9
72.99325	1.8
73.02956	12.3
75.00864	4.1
81.03462	0.5
83.01392	7.5
83.05020	0.7
85.02437	0.9
85.02959	17.6
86.00106	1.2
86.03310	0.6
87.00892	2.3
89.02457	5.0
93.03484	0.7
95.01405	3.5
97.02957	1.3
99.00877	4.3
101.02452	25.2
102.02811	0.5
109.02980	0.8
111.00861	0.7
112.01724	0.4
113.02457	13.2
119.03517	2.4
121.02973	0.7
125.02444	0.7
135.04527	0.5
142.38721	0.5
143.03532	1.4
145.02965	1.7
159.03006	1.5
161.02477	0.7
161.04568	6.9
171.10297	0.9
173.02409	0.5
185.02428	0.5
187.07736	0.6
203.31583	0.5
207.13916	0.7
223.07498	0.5
225.05539	0.5
225.15036	0.7
237.26219	0.5
241.05113	0.6
253.05179	0.8
253.86975	0.4
280.03918	0.8
285.04181	0.5
327.08633	0.7
343.21219	10.4
344.21478	1.2
353.13904	1.2
369.19205	5.5
382.98483	0.4
385.12646	0.7
387.20221	11.9
388.20486	1.0
429.21268	87.5
429.28256	5.2
430.21652	13.0
430.27747	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77415	0.4
59.01384	100.0
60.01715	0.8
62.81818	0.4
69.03415	0.4
70.14892	1.1
70.15286	1.1
71.01388	15.8
73.02953	20.3
75.00887	3.0
83.01395	4.8
84.79722	0.5
85.02980	2.1
87.00891	0.7
89.02439	4.2
93.03520	0.5
101.02451	16.6
109.02995	0.6
113.02464	5.8
119.03548	1.4
119.05035	4.1
131.03520	1.2
143.03529	0.9
145.02974	5.4
147.04593	0.5
149.04547	1.0
161.04576	2.3
163.04050	1.8
185.02469	0.9
221.04596	1.6
295.86124	0.5
307.06161	0.7
309.07648	0.9
382.24197	0.6
391.06274	0.6
429.09921	1.3
429.21280	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	429.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.2
59.74329	0.1
62.60938	0.1
69.90945	0.8
90.45514	0.2
98.19899	0.2
99.00895	0.2
99.92583	4.9
100.92636	0.4
100.93363	4.7
100.94035	0.3
101.93365	0.2
109.69097	0.2
112.31832	0.1
113.92640	0.2
115.92081	100.0
116.92086	6.0
116.92867	5.4
117.92868	0.3
130.05717	0.2
130.94479	0.3
132.92369	1.0
142.94470	0.3
155.95224	0.2
172.95470	4.7
173.95628	0.3
175.68559	0.2
221.08250	0.2
255.23358	0.9
329.56195	0.2
354.07700	0.1
355.15759	0.6
356.16071	0.2
371.15384	0.3
381.17404	1.0
382.17035	0.2
411.18384	0.3
429.19519	3.4
429.26297	0.6
430.19736	0.8
430.25153	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69341	0.5
59.01384	100.0
60.01713	1.0
70.89085	1.0
71.01373	3.0
73.02969	1.0
75.00882	2.4
75.70543	0.4
85.02982	1.0
88.21532	0.5
89.02458	2.2
95.01385	0.4
101.02476	2.0
101.03085	0.5
103.22455	0.5
107.46193	0.4
109.02981	0.6
113.02450	0.9
115.53516	0.5
118.99869	0.8
119.03504	0.7
119.13934	0.4
121.02970	1.0
131.05080	1.0
145.03024	0.8
158.03767	1.9
159.04601	1.1
161.04605	0.7
164.81819	0.4
173.02463	1.1
185.02432	0.8
220.22012	0.5
237.05759	0.5
243.06844	0.6
253.05066	1.1
265.08725	8.0
266.09146	0.7
307.06113	1.3
429.09778	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	429.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.5
58.00607	0.4
59.01383	100.0
59.07018	0.3
60.01712	1.1
64.51306	0.3
69.03461	0.6
71.00989	0.8
71.01385	15.9
72.01743	0.4
72.99313	1.3
73.02953	17.3
75.00877	12.1
83.01395	3.7
85.02946	2.7
87.00881	1.0
89.02447	5.4
93.03477	3.3
95.01396	0.7
97.02935	0.6
99.00911	0.7
101.02451	13.1
102.02770	0.4
109.02964	3.4
113.02445	3.9
117.03432	0.7
118.99855	1.0
119.03539	1.3
119.05035	4.5
120.92747	0.4
121.02980	3.5
123.04531	9.5
125.02431	1.0
131.03526	1.0
131.05014	0.8
132.50383	0.4
133.06592	0.5
135.04518	2.9
136.04060	1.4
143.03491	0.4
143.05005	0.4
145.02960	5.5
147.04532	1.3
149.04572	0.5
157.02911	1.3
158.03714	1.0
159.04543	3.4
161.02464	1.8
161.04576	1.6
163.04004	1.5
163.11308	4.5
165.09209	0.5
173.02449	4.8
174.03163	1.7
175.04019	1.9
177.01936	0.7
177.05597	2.2
185.02452	11.5
185.04114	0.6
185.06073	0.5
186.03175	1.8
187.04053	1.2
197.06076	0.5
203.03531	0.9
207.08296	0.6
207.10277	11.0
208.10637	0.9
211.07542	1.0
214.95734	0.4
221.04584	1.1
223.07608	0.5
225.05550	1.2
225.14859	0.5
237.05595	1.0
237.09189	0.6
238.06183	0.6
238.47305	0.3
239.10858	0.7
241.04889	0.4
243.06567	1.7
249.05405	0.8
253.05029	2.2
254.05804	1.2
255.06725	2.1
261.05707	0.9
262.06332	0.4
263.07129	0.4
265.05322	0.8
265.08685	3.8
266.08997	0.5
267.06598	0.7
276.04251	0.7
277.05151	1.5
279.02982	0.4
279.06625	1.3
279.09995	0.5
280.03760	0.9
280.06674	0.4
281.04599	0.4
283.09769	0.6
289.05054	0.7
291.06668	1.1
293.04672	1.7
294.05258	1.1
295.05975	0.6
297.11337	0.7
305.04507	0.7
306.05399	0.6
307.06137	4.8
308.06650	0.6
309.07709	5.6
319.06055	2.3
320.06522	0.5
327.08780	3.4
353.06766	0.4
369.15372	2.2
369.19324	0.8
385.09311	0.5
387.08887	0.5
387.16577	7.0
388.16711	0.6
429.10049	9.2
429.17651	62.1
430.10037	1.2
430.18048	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	429.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24300	0.8
54.84060	1.0
56.74684	1.2
57.01897	1.0
59.01385	100.0
69.95353	4.5
71.01386	22.7
72.99310	3.0
73.02953	12.3
73.68732	0.8
75.00875	33.7
76.36555	0.9
83.01387	4.2
84.22096	0.8
85.02963	6.0
85.74086	0.9
87.00900	1.1
89.02457	18.1
91.05560	2.2
93.03463	19.1
99.00889	1.3
101.02450	14.9
105.06152	0.9
109.02937	7.6
110.74744	0.9
113.02461	7.0
117.03474	3.2
118.99868	2.1
119.03515	2.6
119.05027	12.3
120.09686	0.9
121.02976	11.6
123.04536	6.2
130.04285	1.5
131.03577	4.6
131.05011	3.2
133.06606	1.3
135.04539	6.5
136.03989	1.0
143.05055	2.7
145.02962	13.9
145.06616	2.2
146.03398	1.4
147.04536	2.9
147.08199	1.2
149.02605	1.0
149.04565	7.9
149.06195	1.0
158.03769	2.5
159.04556	9.7
161.02443	3.6
161.04578	2.3
161.05995	1.1
163.04027	6.3
163.11308	2.5
171.04497	1.8
173.02458	12.9
173.06041	1.6
174.03156	4.2
175.04019	4.3
177.05579	5.4
185.02452	15.1
185.05954	1.7
186.03014	1.6
187.03970	1.2
191.05611	1.1
191.07106	2.6
197.06210	1.0
203.07051	1.3
207.10266	6.3
208.10435	1.0
211.07628	2.2
220.10193	1.1
221.04395	1.8
223.07700	2.1
225.05519	2.7
225.09326	1.3
233.06645	6.3
234.06918	1.1
237.05666	1.6
237.09160	2.3
239.10786	2.3
240.04248	1.0
243.06577	5.0
249.05443	1.3
251.07086	1.8
252.04233	1.3
253.05095	7.9
253.12346	1.8
254.05765	5.2
255.06622	7.1
261.05539	2.3
261.08786	0.9
263.06943	1.2
265.05200	2.0
265.08682	9.7
266.09097	1.6
277.05035	2.3
278.05725	1.5
279.06555	3.7
279.10193	2.6
280.03885	1.8
281.04449	1.5
283.09680	1.2
289.05017	1.7
290.05753	1.3
291.06732	1.4
293.04474	2.0
294.05136	2.4
297.11288	3.2
305.04639	1.7
306.05487	1.6
307.06158	15.7
308.06393	1.7
309.07507	6.3
319.06058	6.2
327.08755	13.9
328.09439	1.8
369.15378	1.2
387.16586	3.6
429.09787	26.3
429.17603	37.1
430.10211	4.9
430.17746	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	429.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.0
57.69849	0.6
58.00591	1.3
59.01384	38.4
69.03460	0.7
71.01388	9.6
72.99319	2.5
73.02953	5.7
75.00878	13.6
77.87009	0.5
83.01399	1.7
85.02954	3.3
86.00125	0.7
87.00883	3.6
87.04493	0.7
89.02455	9.0
93.03472	5.7
99.00912	1.0
101.02449	14.9
103.04033	2.3
109.02966	3.0
113.02441	1.8
115.04028	2.4
117.03423	0.7
118.99894	2.0
119.03516	5.0
119.05008	5.2
121.02967	100.0
122.03294	3.9
123.04562	1.8
125.02460	1.0
127.04006	1.6
131.03506	2.8
133.02919	0.9
135.03477	1.0
135.04533	15.4
136.04822	1.1
143.03525	4.3
143.05008	2.0
145.02966	6.8
145.05125	0.6
145.06548	1.0
147.04515	1.9
148.03891	0.5
157.02979	0.9
159.04509	1.9
161.02458	1.3
163.04037	6.3
163.06102	3.5
163.11316	2.4
173.02443	6.7
174.03181	1.9
175.03993	1.7
177.05630	0.7
185.02451	7.1
186.03131	1.1
197.06036	0.8
205.05095	2.4
205.07196	3.9
211.07654	1.4
212.08290	0.7
223.07739	0.9
225.05710	1.4
227.72440	0.5
237.05534	1.6
237.09184	0.9
239.10858	0.6
243.06667	1.9
249.05626	0.7
253.05043	4.2
254.05812	2.7
255.06694	3.4
255.08965	0.6
256.06842	0.7
261.05692	1.0
264.04184	0.8
265.05045	1.0
265.08740	6.1
266.08997	1.0
279.03052	0.5
279.06619	2.0
289.05060	0.7
290.05872	0.6
291.06769	1.0
297.11386	1.0
305.04834	0.9
306.05191	1.0
307.06076	6.5
308.06342	0.7
309.07767	2.2
319.06128	2.1
327.08740	9.4
328.09091	0.9
369.15619	0.7
387.16403	0.9
429.09808	11.6
429.17484	5.7
430.10223	1.5
430.18121	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.0
71.01398	1.4
72.99323	1.9
75.00878	56.3
93.03468	24.0
94.03773	1.3
95.25668	1.2
96.99329	4.1
98.20652	2.7
103.08810	1.2
109.02956	4.5
111.34942	1.3
117.03479	2.6
118.99866	2.6
119.05040	13.5
121.02921	4.8
123.04520	2.1
131.05045	3.9
133.02934	3.6
135.04585	1.5
143.05046	17.3
145.02942	9.1
145.06587	2.0
147.04561	3.2
157.02953	2.0
163.04033	10.9
165.68634	1.4
171.04541	4.2
173.02451	8.2
174.03226	4.0
175.03993	2.0
185.02481	10.1
186.02922	1.7
210.06851	1.9
211.07675	9.6
215.03680	1.1
223.07658	2.6
223.27042	1.1
225.05702	1.5
225.11293	2.2
235.07700	3.3
237.09180	6.6
238.36809	1.1
239.10799	1.7
243.06551	4.2
253.05038	4.4
254.05830	3.3
255.06561	4.0
261.05606	1.7
263.06979	1.7
264.07739	1.4
265.08722	32.1
266.08942	3.9
268.25937	1.2
277.05017	1.3
279.06549	3.5
280.07123	1.1
289.04803	1.3
307.06110	9.6
309.07669	12.9
310.07959	2.4
319.06009	4.9
327.08749	100.0
328.09106	10.7
385.09320	1.9
398.33667	1.2
429.09808	15.8
430.10266	3.5
435.51608	1.2
451.11011	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.27351	1.0
62.89377	0.9
64.01857	1.2
69.52946	6.7
69.53352	2.4
71.01404	1.3
72.99310	11.1
75.00880	100.0
76.14846	1.0
82.20362	0.9
88.65383	0.9
89.69424	1.1
93.03469	4.7
99.04708	1.0
108.61867	1.2
117.03500	2.8
118.99870	35.4
119.05025	14.0
119.52483	1.0
127.14402	1.0
136.04054	3.8
145.02974	15.9
146.03300	1.3
163.04002	7.5
175.04137	1.8
189.76077	1.1
210.06915	1.7
211.07690	13.9
221.04518	2.3
223.07695	3.7
228.00040	1.1
237.09210	3.1
238.09406	1.2
265.08627	6.2
279.10229	1.3
283.09882	1.6
291.57138	1.2
309.07840	1.9
327.08731	11.1
341.10403	1.7
365.43179	1.1
429.09528	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61222	3.0
69.03458	6.2
70.31700	5.6
70.32092	6.8
72.99320	3.9
75.00879	54.2
93.03465	100.0
95.41203	2.8
97.02959	11.2
109.03014	3.8
117.03468	11.7
118.99854	5.7
119.05035	81.5
120.05352	4.4
121.02962	5.2
130.04245	5.2
130.89752	3.7
131.05040	5.0
133.06564	5.3
134.03749	5.3
135.04501	3.7
143.05043	8.6
145.02959	17.4
145.06628	17.4
147.04517	17.9
149.06169	5.5
158.67177	3.7
159.04482	10.1
161.06154	5.5
163.04039	44.9
163.07681	23.6
172.05408	3.4
173.06102	24.8
175.04080	20.4
176.04427	4.7
177.05638	20.4
185.05960	4.6
191.07161	55.6
192.07388	3.6
193.05110	7.4
203.07166	23.0
211.07666	6.4
223.07576	17.0
225.09200	7.1
228.59360	3.7
235.07489	4.3
237.09201	9.5
239.10912	5.4
249.09293	4.8
250.09874	3.7
251.10742	5.4
253.05128	4.2
261.09229	15.1
265.08685	7.3
279.10251	64.5
280.10580	8.7
297.11237	15.6
327.08737	20.9
328.05667	3.3
328.09305	4.1
429.09769	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	429.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.8
60.12685	1.1
69.82660	5.1
72.99317	1.8
75.00878	100.0
76.01244	1.0
89.02383	1.1
93.03455	10.7
109.02935	2.1
117.03472	1.3
118.99868	3.8
119.05034	7.8
121.03000	2.4
123.04514	1.5
131.05054	2.9
134.03769	8.9
143.05054	7.3
145.02922	5.0
149.06070	4.2
163.03992	5.5
173.02400	2.0
173.06276	1.0
178.02696	2.6
185.02469	2.0
188.53064	1.2
193.05058	3.9
210.06938	2.4
211.05647	1.5
211.07663	24.7
212.08026	2.0
223.07529	1.4
235.07585	2.6
237.09187	3.8
265.08746	11.5
275.17068	1.2
307.06064	1.8
309.07727	6.7
315.26553	1.4
327.08737	24.4
328.09134	1.7
429.09436	2.7
429.14282	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	428.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22647	0.4
57.03458	0.4
58.94308	0.3
59.01384	25.6
60.01712	0.5
61.98835	100.0
70.89872	0.3
71.01391	3.6
71.61679	0.5
72.00919	1.5
72.99342	0.4
73.02951	1.8
75.00878	12.8
75.01288	0.8
76.01234	0.7
83.01424	0.5
85.02965	1.5
85.06570	0.3
89.02457	1.7
93.03477	1.1
97.06606	0.4
100.00416	5.7
101.02454	1.7
104.60046	0.4
107.05069	0.4
109.02978	0.9
113.02482	1.5
116.05080	1.5
117.03498	1.5
117.24275	0.4
118.99821	0.4
119.05028	3.5
121.03010	0.5
130.06628	1.1
131.04984	0.5
133.02965	3.4
133.06700	0.4
134.03737	0.7
134.06155	0.5
135.04533	43.4
136.04906	2.4
136.07700	1.1
137.06067	0.6
138.09274	1.1
142.06630	9.7
143.06984	0.5
144.66177	0.3
145.02965	3.7
147.04529	0.5
159.04539	0.6
159.09349	0.4
161.02452	16.2
161.04581	0.7
161.09706	0.6
162.02753	1.7
162.05582	1.7
162.10097	0.8
163.04071	1.9
163.11246	0.5
168.10263	0.4
177.05643	0.9
179.03529	1.5
179.10753	2.1
180.11119	2.0
181.12373	2.0
185.07173	0.6
186.05608	5.4
186.51572	0.3
187.06111	0.5
201.85692	0.3
203.08298	1.4
211.07715	1.2
221.04607	0.5
223.09685	0.5
224.10027	0.4
225.05618	1.0
225.11375	2.2
225.14835	0.4
227.03539	1.4
229.06184	27.1
230.06496	1.9
237.04042	0.4
239.11885	0.4
241.09732	0.6
253.05029	0.7
255.03105	1.5
256.03943	0.4
284.03238	2.0
285.04160	1.5
293.45749	0.4
296.05844	0.4
303.06961	0.9
356.09140	0.4
360.17139	0.5
362.18872	1.0
363.19116	0.9
365.11420	19.3
366.11740	3.0
369.19199	0.6
387.20190	1.2
428.20624	0.7
429.09167	1.1
429.21030	2.0
445.68674	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.11
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	11.8
60.40220	0.5
61.98834	100.0
62.35190	0.4
67.60994	0.5
71.01385	1.3
71.38412	0.7
72.00918	1.5
72.99277	0.4
73.02943	1.3
75.00882	5.7
84.63067	0.5
88.68056	0.5
100.00409	4.8
101.02447	0.8
109.02965	0.8
113.02452	0.5
116.05093	1.2
119.05054	1.6
130.06654	1.3
133.02969	2.9
135.04533	40.5
136.04861	2.3
136.07732	0.6
138.09300	0.6
142.06624	10.7
145.02979	1.4
161.02457	12.4
161.03726	0.9
162.02805	1.1
162.05661	0.6
163.04047	1.1
163.11311	0.6
177.05724	0.6
179.03474	0.7
179.10837	1.5
180.11139	1.4
181.12401	1.5
185.07245	0.5
186.05635	5.3
187.05940	0.5
203.08372	1.7
211.07753	0.6
223.76831	0.5
225.11462	1.3
229.06187	25.6
230.06578	1.7
255.03006	0.6
285.04193	0.8
319.51602	0.6
354.97025	0.6
365.11426	20.2
366.11789	2.9
380.19495	0.5
429.09537	0.7
429.21283	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2338
Annotation	Nummularine F
Peak:m/z	Relative Intensity
56.51671	0.5
57.03452	13.2
59.01382	4.8
63.02389	0.6
67.50131	0.4
68.99847	0.5
70.17998	0.6
70.18388	1.1
71.01386	1.3
75.00883	0.7
81.03461	81.5
82.03776	2.3
83.01398	5.4
98.19952	0.5
98.83984	0.5
99.04556	0.7
101.02454	0.7
107.01379	0.9
113.16975	0.4
125.02455	100.0
126.02772	4.0
177.34106	0.5
207.17538	4.0
208.17867	0.7
209.15442	0.6
227.16539	23.4
228.16905	2.3
249.18622	1.5
267.19644	8.8
268.19891	1.1
273.18469	1.5
291.19659	4.7
335.18619	1.0
353.19620	1.4
365.75568	0.5
409.22290	1.1
427.23328	28.4
428.23868	4.7
433.47278	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	13.1
59.01383	4.8
63.36252	0.4
67.36991	0.4
70.93001	0.8
70.93354	0.8
71.01395	0.8
75.00863	1.2
81.03464	81.2
82.03807	2.3
83.01399	5.2
85.02968	0.6
89.02467	0.6
99.04545	0.5
101.02462	0.4
107.01397	0.8
125.02456	100.0
126.02802	3.9
207.17551	2.9
227.16542	18.3
228.16940	1.6
249.18590	1.6
264.96429	0.4
267.19650	6.8
267.22281	0.6
268.20078	0.7
268.66269	0.4
273.18570	1.3
287.03494	0.4
291.19644	3.8
309.21011	0.5
335.18774	1.1
353.19858	1.4
409.22424	1.3
427.23364	25.8
428.23776	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	1.2
59.01382	14.3
69.03454	0.9
69.50102	2.4
69.50533	3.1
71.01378	6.4
72.99301	0.8
73.02951	12.4
74.88688	0.6
75.00880	8.4
76.33526	0.6
79.05539	1.0
80.05773	0.8
81.07090	0.9
83.01399	1.5
85.02948	3.0
89.02458	1.8
95.05040	0.9
97.02953	2.2
99.04520	0.8
101.02447	5.9
109.06603	1.1
111.04499	1.2
113.02444	3.7
119.03481	0.8
119.05043	2.2
122.39799	0.8
125.02439	1.4
125.06087	1.9
133.02940	2.0
133.10223	1.6
135.04526	3.9
135.08153	1.0
135.11813	16.5
136.07698	0.9
143.03470	1.0
145.02940	1.6
159.08139	3.1
159.11778	1.7
161.02446	4.6
161.04553	1.2
161.09746	9.9
162.05624	1.0
175.11430	0.7
177.12860	2.6
179.03493	1.6
179.10779	100.0
180.11113	6.9
193.12341	1.2
203.10785	1.9
205.08693	1.8
209.29683	0.7
211.74106	0.7
221.11839	0.9
223.09761	49.4
224.10121	4.5
236.12915	0.7
247.13443	1.7
265.10880	3.6
323.16220	0.9
324.90198	0.7
362.18890	1.2
427.08304	0.8
427.15442	1.5
428.20618	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.234
Annotation	Nummularine F
Peak:m/z	Relative Intensity
55.67164	0.7
57.03455	16.6
57.77207	0.6
59.01387	25.2
69.03451	1.6
71.01389	2.0
71.60812	0.7
71.61181	0.7
75.00874	0.7
83.01409	1.8
83.05031	1.1
89.02466	2.7
91.04029	3.4
98.00085	1.1
113.09703	1.4
113.97980	0.7
135.14558	0.8
181.15991	1.9
195.17563	3.1
205.15813	0.9
207.17532	8.2
219.17497	1.7
221.19075	10.1
222.19469	1.4
223.07651	0.9
223.17154	6.2
223.20660	17.4
224.21086	1.9
225.18573	1.7
235.20677	2.8
237.22311	2.3
239.20189	10.1
240.20494	1.2
241.18091	1.2
245.19099	3.8
247.17119	0.9
247.20686	4.9
249.18625	2.6
251.16563	1.1
263.20160	9.5
264.20306	1.4
265.18225	2.1
265.21732	38.9
266.22180	4.1
266.71841	0.7
267.19666	12.6
268.19962	1.6
273.18726	1.1
281.21246	4.3
285.20697	6.9
291.19696	2.2
293.17548	4.9
307.19144	2.9
309.20731	38.1
310.21140	4.2
335.18674	7.1
353.19705	100.0
354.20020	10.7
383.20743	2.3
427.23389	76.3
428.23654	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	427.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83520	2.0
57.03453	4.4
59.01384	97.1
60.01676	2.3
69.03463	2.7
71.01389	22.3
73.02956	28.9
75.00879	8.2
83.01375	6.1
85.02961	6.3
87.04530	4.0
89.02448	3.0
97.02995	4.1
99.00906	3.2
101.02455	14.3
107.05019	2.3
109.06597	4.3
113.02450	7.3
119.05019	4.9
125.02444	2.7
125.06080	4.8
135.11835	19.7
155.03502	2.6
159.08154	3.2
159.11826	7.9
161.09740	14.6
163.11356	11.9
177.12825	12.5
179.10785	100.0
180.11060	8.0
181.12337	13.6
185.02422	3.5
187.11267	2.6
189.12830	3.9
190.09946	3.0
193.12398	4.5
203.10783	4.4
205.08699	8.5
205.12364	4.7
211.19318	2.4
221.11804	8.3
223.03595	2.3
223.09740	23.2
265.10785	7.3
267.77301	2.5
295.14960	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	427.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.3
59.01383	100.0
69.03451	2.4
69.96265	4.1
69.96658	4.0
71.01385	20.4
73.02958	23.4
75.00869	5.8
79.94701	1.4
83.01385	4.7
83.05029	1.7
85.02937	5.6
87.00877	2.3
89.02448	4.8
95.05019	1.8
97.02959	2.3
99.00908	2.9
101.02451	12.6
107.05035	3.1
109.06580	2.4
113.02432	7.8
119.03542	2.2
119.05018	3.0
125.02457	2.7
125.06056	3.1
133.10281	2.4
135.08183	3.5
135.11810	16.3
143.03458	3.3
156.74773	2.4
159.08118	5.5
159.11777	5.5
161.09721	12.5
163.11305	8.2
165.09178	2.0
175.11288	2.3
177.12801	7.5
179.10785	81.1
180.11093	2.9
181.12346	15.2
189.12860	4.5
190.09978	6.3
193.12256	3.5
203.05702	2.6
203.10721	3.6
204.11400	1.9
205.08705	6.9
205.12303	5.7
221.11758	5.6
223.09735	19.7
237.11226	1.8
265.10739	5.5
362.67706	2.0
367.18134	1.9
401.56693	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47690	0.2
55.01879	0.9
57.03448	0.5
58.00594	2.0
59.01385	42.0
60.01729	0.6
69.03462	3.1
71.01389	26.4
72.01723	0.3
72.99319	1.8
73.02956	9.7
74.03337	0.2
75.00880	1.6
79.01886	0.3
81.03457	1.9
83.01399	2.5
85.02438	0.3
85.02959	9.4
87.00890	1.2
89.02453	14.3
90.02755	0.2
91.05566	0.4
93.03463	1.1
95.01414	1.2
97.02962	4.2
99.00899	0.9
99.04539	0.3
101.02454	18.3
102.02795	0.3
102.63707	0.2
103.04020	14.7
104.04320	0.3
107.01418	0.3
109.02955	0.5
113.02461	1.7
115.04039	0.5
116.07221	0.3
119.03555	6.2
119.05036	100.0
120.05377	4.4
123.00946	0.2
125.02457	15.1
126.02798	0.5
127.04037	1.2
131.03506	0.6
133.05066	0.2
135.26985	0.2
137.09734	0.3
143.03523	2.0
145.05089	2.1
163.06143	8.1
164.06599	0.2
171.93030	0.2
187.03970	0.4
187.06015	0.2
202.06407	0.4
205.07199	0.9
247.08226	4.5
247.13403	0.3
248.08548	0.2
265.10812	0.4
307.10291	2.8
309.59305	0.2
338.99457	0.2
351.28268	0.2
427.19656	1.4
428.19031	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	9.4
61.98834	100.0
71.01407	1.0
71.61678	0.8
71.90311	1.0
75.00886	1.9
89.74195	0.8
103.70717	0.8
127.33016	0.8
138.52705	0.9
190.93362	0.8
191.10722	0.9
216.83041	0.8
298.96844	0.9
410.64432	0.9
444.21902	0.8
453.97394	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.067
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12586	1.5
59.01380	32.6
71.01385	12.3
73.02958	8.4
75.00869	20.0
83.01412	3.1
85.02955	2.4
85.24400	1.5
86.64613	1.5
89.02469	3.1
93.03463	66.1
94.03809	1.8
98.19887	3.1
101.02438	4.8
113.02477	3.1
115.38555	1.5
116.92868	15.7
117.03419	1.9
119.05056	3.7
135.04518	3.1
145.02957	47.4
146.03305	5.0
146.89297	1.6
147.04553	2.3
153.09235	3.0
159.04536	12.0
161.02420	3.0
161.04666	2.1
161.06030	5.6
163.03926	4.2
175.03920	2.7
185.02393	3.8
186.03175	10.6
187.04004	42.8
188.04344	2.3
190.74136	1.4
197.06168	2.0
203.03473	3.9
205.05045	5.5
205.12355	2.4
213.01880	5.7
213.05493	3.3
214.02678	11.2
224.04677	2.3
225.05550	4.6
229.14760	1.6
229.20451	1.7
233.06084	1.9
234.06854	2.0
235.07584	5.2
237.05557	6.9
239.07132	5.9
245.04581	2.1
253.08688	12.1
261.05487	3.3
263.07065	5.4
265.05096	16.6
266.05429	2.4
267.06497	4.1
277.04767	1.6
279.06641	7.1
281.08371	3.0
283.06009	3.4
297.07596	7.2
307.06125	100.0
308.06445	11.9
325.07196	38.1
326.07455	7.0
339.08737	15.9
383.07706	15.5
384.07861	2.9
392.20425	1.5
427.07858	2.6
427.15399	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	425.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.8
57.58052	0.6
59.01379	10.4
62.48645	0.5
70.03497	1.8
70.03898	0.8
70.52089	0.5
83.01389	6.4
89.02437	0.6
91.04009	1.5
98.20010	0.6
103.58999	0.5
125.02497	0.5
221.19194	0.9
223.20663	34.4
224.21014	3.1
237.18585	0.9
245.22665	0.7
247.20680	4.4
249.18642	0.6
263.23804	5.7
264.24002	0.6
265.21716	69.6
266.22055	9.5
267.19656	2.3
268.19916	0.6
270.96649	0.6
279.23233	2.7
283.22775	11.3
284.23166	1.5
289.19370	0.5
289.21725	21.7
290.22168	3.2
307.22787	39.2
308.23166	5.9
333.20679	1.9
339.25409	0.8
351.21738	23.4
352.21964	3.0
376.38177	0.7
381.26331	3.3
382.26944	0.6
425.25458	100.0
426.25815	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	14.9
58.03794	0.4
59.01374	1.4
65.00325	6.6
69.74935	0.6
69.75346	1.3
81.03455	2.8
83.01392	7.8
83.71372	0.4
98.20666	0.4
125.02451	100.0
126.02776	4.2
181.15961	2.4
205.15985	3.3
221.19121	0.5
223.17030	3.5
225.14986	1.1
241.18069	4.8
242.18483	0.5
245.19200	1.9
247.17091	0.7
263.20233	0.7
265.18066	2.9
283.19107	0.7
289.18085	5.0
290.18484	0.4
307.19150	10.2
308.19482	1.2
309.17145	0.4
333.17102	0.7
351.18085	1.6
381.22833	3.4
382.23099	0.5
383.20697	0.8
425.21802	31.7
426.22162	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	425.2546
Annotation	2-glyceryl-Prostaglandin H2
Peak:m/z	Relative Intensity
55.12177	0.4
55.65556	0.4
57.03454	2.8
59.01094	0.5
59.01380	7.6
61.98829	0.4
65.24319	0.4
67.91412	0.4
68.99805	0.5
69.50051	0.8
69.50462	2.0
71.01389	0.7
83.01393	6.9
83.05018	0.7
89.02416	0.6
91.03996	1.4
106.47242	0.3
125.02439	0.5
153.27782	0.4
221.19131	1.0
223.20674	36.8
224.21049	3.4
233.42708	0.4
237.18565	1.1
245.22606	0.7
247.20631	4.0
248.21043	0.9
249.18642	0.6
254.78848	0.4
263.23788	6.3
265.21713	71.6
266.22064	7.5
267.19638	2.5
268.23688	0.5
279.23267	2.9
283.22806	10.4
284.23154	1.4
289.21735	24.3
290.22180	2.8
307.22794	40.9
308.23187	5.0
316.79285	0.4
333.20731	2.0
339.25562	0.6
351.21753	26.5
352.22055	3.3
381.26477	3.4
425.25464	100.0
426.25818	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	425.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31697	0.2
57.03452	14.8
58.03794	0.4
59.01381	1.8
65.00329	6.7
71.01375	0.2
71.10244	0.4
78.67837	0.2
81.03455	2.8
83.01393	7.7
84.01729	0.2
91.04020	0.3
91.42493	0.2
92.20180	0.2
92.91517	0.2
95.05045	0.3
111.04638	0.2
120.67470	0.2
125.02455	100.0
126.02779	3.8
138.37305	0.2
152.27649	0.3
167.84682	0.2
181.15991	2.9
205.15976	3.5
206.16273	0.4
220.14735	0.4
221.19041	0.6
223.17041	3.6
224.17456	0.2
225.14975	1.4
241.18094	5.5
242.18466	0.5
245.19112	1.4
246.19450	0.3
247.17032	1.0
263.20172	0.9
265.18115	3.1
266.18542	0.3
267.16046	0.4
283.19205	0.4
289.18103	5.7
290.18387	0.4
307.19159	9.1
308.19531	1.3
309.17078	0.3
333.17169	0.5
339.21600	0.4
351.18155	1.9
352.18304	0.4
372.06497	0.2
381.22827	2.6
382.23245	0.4
383.20529	0.5
425.21820	32.1
426.22147	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	425.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.2
59.01389	2.5
69.49229	1.6
71.01395	0.3
73.02975	0.3
81.03475	0.3
85.02969	0.5
85.59067	0.2
96.96047	0.4
101.02383	0.4
110.63165	0.2
113.02444	0.3
125.02471	1.2
127.07688	0.4
148.05339	2.8
150.67130	0.2
151.07651	0.5
163.07738	0.4
164.08418	0.8
167.06148	0.2
174.73174	0.3
177.12915	0.4
178.10030	0.9
196.07426	0.3
205.12343	19.6
206.09488	6.2
206.12485	1.6
207.09883	0.3
207.13896	0.7
209.07196	0.4
217.10922	0.3
220.14691	100.0
221.11694	0.5
221.15178	14.1
222.15817	0.5
234.06403	0.3
235.13416	0.7
243.02896	0.4
263.16653	0.7
289.18161	0.3
292.71155	0.2
322.15454	0.3
366.14679	0.5
368.14697	3.3
369.14951	0.5
391.47348	0.3
425.21796	21.0
426.22214	3.7
428.80008	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
63.44653	0.3
70.91970	1.0
78.95905	13.8
92.03301	0.3
94.99048	0.4
104.97453	0.4
105.55917	0.4
110.98537	9.9
127.87793	0.4
156.46996	0.4
167.01155	12.1
185.02208	2.5
188.39734	0.4
241.71623	0.4
255.23297	100.0
256.23654	11.4
270.06290	0.4
307.79868	0.4
355.18619	0.3
417.30099	0.4
423.25195	18.3
424.25284	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	424.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01144	12.1
53.34326	10.5
59.01388	11.6
59.63443	12.4
69.44389	100.0
75.00857	21.8
138.60158	12.7
156.86516	12.1
183.79927	11.7
217.16246	12.8
221.19226	15.8
245.18985	21.9
276.00034	11.7
276.87720	13.8
289.18118	51.8
307.19168	16.9
388.76956	13.6
425.21460	75.7
438.76257	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	425.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27433	6.1
59.01382	83.2
60.55328	6.7
61.98834	10.1
64.04202	6.4
65.72578	6.5
69.48894	5.4
69.49178	54.2
71.01385	45.5
71.98135	6.2
72.57001	6.1
72.99291	11.7
73.02903	8.1
75.00880	34.7
85.02950	14.1
87.00887	13.6
89.02459	39.0
98.20623	8.3
101.02444	20.5
109.02937	10.6
113.02455	18.1
114.93553	6.4
119.03521	16.9
119.04996	15.9
135.04509	15.0
145.02985	22.2
149.79993	6.3
159.04509	13.2
161.02377	14.7
163.03993	18.9
175.02405	12.6
176.03439	7.3
177.05545	8.9
183.11841	8.3
195.08110	7.3
203.03366	7.7
205.86145	8.3
221.04399	11.6
245.11781	12.8
294.26553	7.5
311.53445	6.4
387.36765	7.2
425.18527	100.0
426.18576	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	423.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.7
57.03454	4.4
58.00596	1.6
59.01383	33.7
67.49234	0.5
68.99826	0.7
69.03471	1.2
69.58781	3.0
69.59184	1.0
71.01389	48.8
72.01732	0.9
72.99322	5.1
73.02951	19.4
75.00866	1.5
78.95907	0.6
80.49889	0.5
83.01393	11.6
85.02956	26.2
86.00126	1.4
87.00888	3.0
89.02443	11.0
95.01382	3.6
96.34779	0.5
97.02975	2.7
98.20544	0.6
99.00874	8.5
101.02451	48.4
102.02814	1.5
108.37179	0.5
108.42416	0.5
108.90424	0.5
111.00865	1.1
113.02458	19.1
114.02771	1.0
119.05042	0.9
125.02437	1.9
127.11353	0.8
129.01947	1.7
131.03520	2.4
143.03479	1.4
145.02971	1.3
159.02988	3.7
161.02495	1.0
161.04564	23.0
162.04871	1.0
205.03600	0.7
229.06107	0.9
239.53188	0.6
279.78830	0.6
291.18143	100.0
292.18442	8.4
335.16769	0.7
349.11835	0.7
414.65408	0.6
423.22342	18.6
424.22678	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	423.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59196	0.6
55.01880	3.6
57.03450	4.1
58.00593	2.0
59.01384	38.0
60.01723	0.8
69.57962	2.7
69.58372	1.2
71.01389	50.9
72.01749	0.7
72.99319	5.1
73.02955	20.4
74.03290	0.9
75.00883	1.5
83.01389	12.0
85.02962	25.0
86.00117	1.5
86.03309	0.8
87.00884	3.1
89.02450	10.4
95.01389	3.5
97.02972	2.1
99.00893	9.1
101.02454	48.0
102.02785	2.0
111.00910	1.1
113.02463	21.7
114.02863	0.7
119.05012	1.3
125.02446	2.1
129.02032	0.8
129.06294	0.6
131.03500	2.4
133.04071	0.6
143.03511	2.2
145.02966	1.1
149.04564	0.9
159.02998	4.6
161.04578	24.1
162.04858	0.9
199.13422	0.9
205.03499	0.7
228.20929	0.6
229.06230	1.4
291.18158	100.0
292.18518	9.6
316.28284	0.7
349.11859	1.2
360.91919	0.8
362.25269	0.6
413.74988	0.7
423.22415	19.5
424.22791	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.9
57.03453	3.9
58.00582	1.9
59.01384	34.0
60.01731	0.8
71.01389	55.8
72.01734	0.6
72.99301	3.0
73.02955	20.5
75.00887	6.3
83.01395	13.3
85.02959	29.0
86.00090	1.5
86.03295	1.2
87.00874	2.8
89.02450	10.9
93.03470	0.9
95.01398	4.0
96.96024	1.0
97.02952	1.7
99.00890	8.0
101.02453	46.6
102.02780	0.8
109.02914	0.6
111.00880	1.6
113.02459	20.4
114.02828	1.0
125.02457	2.6
129.01955	1.3
129.12871	0.6
131.03497	2.6
135.04495	0.7
143.03514	1.9
145.02921	1.5
147.04500	1.0
149.04535	1.2
159.03049	3.4
159.04298	0.5
161.02423	2.6
161.04579	23.1
162.04871	0.8
174.03105	0.7
195.25099	0.6
205.03543	1.4
215.03375	0.7
217.05118	0.7
227.07187	1.3
261.11374	1.2
271.02463	1.1
291.18155	100.0
292.18433	10.8
300.02780	1.5
325.07523	0.9
335.04352	0.7
335.17041	0.8
335.38046	0.7
423.22406	21.9
424.22702	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	423.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.9
57.03453	3.9
58.00582	1.9
59.01384	34.0
60.01731	0.8
71.01389	55.8
72.01734	0.6
72.99301	3.0
73.02955	20.5
75.00887	6.3
83.01395	13.3
85.02959	29.0
86.00090	1.5
86.03295	1.2
87.00874	2.8
89.02450	10.9
93.03470	0.9
95.01398	4.0
96.96024	1.0
97.02952	1.7
99.00890	8.0
101.02453	46.6
102.02780	0.8
109.02914	0.6
111.00880	1.6
113.02459	20.4
114.02828	1.0
125.02457	2.6
129.01955	1.3
129.12871	0.6
131.03497	2.6
135.04495	0.7
143.03514	1.9
145.02921	1.5
147.04500	1.0
149.04535	1.2
159.03049	3.4
159.04298	0.5
161.02423	2.6
161.04579	23.1
162.04871	0.8
174.03105	0.7
195.25099	0.6
205.03543	1.4
215.03375	0.7
217.05118	0.7
227.07187	1.3
261.11374	1.2
271.02463	1.1
291.18155	100.0
292.18433	10.8
300.02780	1.5
325.07523	0.9
335.04352	0.7
335.17041	0.8
335.38046	0.7
423.22406	21.9
424.22702	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	423.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48815	2.4
59.01381	25.3
60.08368	2.2
61.98821	5.1
63.28236	2.3
69.36135	8.4
69.36561	12.7
69.47205	2.4
71.01383	13.7
72.99333	3.8
73.02943	8.2
73.86221	2.4
75.00878	100.0
76.01225	5.0
83.01402	2.6
84.91865	2.4
85.02933	2.8
89.02469	4.3
101.02460	7.6
109.02934	7.9
113.02439	3.4
119.05034	4.7
121.02945	6.7
121.82391	2.5
123.04553	4.0
125.02469	2.7
135.04521	6.4
142.05081	3.5
145.02936	4.5
151.00331	3.7
161.02461	6.8
186.91736	2.3
243.12451	3.0
253.05159	3.0
268.03036	2.8
271.02658	2.7
285.03836	2.6
295.02496	3.9
297.04086	3.3
313.03329	2.7
372.09509	10.2
372.59924	3.6
417.06030	4.8
418.06436	3.3
423.09543	5.0
423.17526	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	423.1789
Annotation	nymphaeol B
Peak:m/z	Relative Intensity
57.03432	5.6
59.01384	46.5
69.33414	23.7
69.33817	10.3
71.01383	13.2
73.02948	6.1
75.00876	100.0
80.91689	3.5
87.00902	4.1
89.02459	6.5
93.03430	3.5
97.02978	10.9
97.06618	10.4
97.48422	3.3
98.19901	5.9
101.02439	9.3
109.02967	16.2
113.02465	5.6
121.02940	7.5
125.02462	15.6
125.08901	5.7
125.09743	61.6
125.64130	3.5
126.10112	4.0
135.04524	16.3
145.02945	13.9
149.02412	4.1
149.06064	3.3
159.04433	3.7
161.02463	17.1
163.04041	5.8
175.04057	4.8
177.05563	3.7
187.09758	47.7
219.06636	16.3
227.07004	3.7
240.18497	3.7
245.86626	3.7
249.16191	3.9
255.03000	4.9
271.02554	6.2
300.02560	6.2
301.03561	4.1
311.16022	3.5
321.11487	6.2
343.07993	4.5
417.43109	4.1
423.18283	56.7
424.18802	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	5.6
59.01384	46.5
69.33414	23.7
69.33817	10.3
71.01383	13.2
73.02948	6.1
75.00876	100.0
80.91689	3.5
87.00902	4.1
89.02459	6.5
93.03430	3.5
97.02978	10.9
97.06618	10.4
97.48422	3.3
98.19901	5.9
101.02439	9.3
109.02967	16.2
113.02465	5.6
121.02940	7.5
125.02462	15.6
125.08901	5.7
125.09743	61.6
125.64130	3.5
126.10112	4.0
135.04524	16.3
145.02945	13.9
149.02412	4.1
149.06064	3.3
159.04433	3.7
161.02463	17.1
163.04041	5.8
175.04057	4.8
177.05563	3.7
187.09758	47.7
219.06636	16.3
227.07004	3.7
240.18497	3.7
245.86626	3.7
249.16191	3.9
255.03000	4.9
271.02554	6.2
300.02560	6.2
301.03561	4.1
311.16022	3.5
321.11487	6.2
343.07993	4.5
417.43109	4.1
423.18283	56.7
424.18802	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	421.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94103	0.5
55.01891	0.8
57.03445	0.8
59.01385	25.5
66.46549	0.6
69.98719	1.9
71.01389	10.3
72.99301	1.1
73.02950	4.6
74.83524	0.7
75.00877	9.0
83.01393	2.3
85.02964	4.1
86.66309	0.5
87.00901	2.0
89.02437	2.3
95.01398	1.3
96.96009	1.1
98.19859	0.6
99.00895	4.8
101.02457	6.2
101.90208	0.5
109.02950	0.9
111.00865	1.2
113.02460	2.3
119.05033	1.2
125.04821	0.6
132.42662	0.6
145.02911	1.1
161.02414	0.9
161.04581	0.7
163.04027	0.7
183.40518	0.5
204.07735	0.5
241.18109	2.0
253.09894	0.6
257.17590	1.1
259.09891	0.6
259.19156	30.1
260.19501	3.0
279.02975	1.6
300.02762	0.8
319.17340	1.0
361.18420	0.8
403.23337	1.9
421.24442	100.0
422.24796	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	423.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99902	0.9
59.01382	6.9
63.85189	0.7
66.11719	0.6
71.01391	7.5
71.16884	0.7
71.59268	0.9
72.99305	1.6
74.99388	6.4
75.00875	2.2
76.21493	0.9
80.91689	16.2
85.01483	1.5
86.99380	1.4
89.00993	0.8
89.02452	6.1
94.04564	0.6
96.96013	1.2
96.96951	1.9
98.99407	2.6
100.00144	1.4
101.00957	13.4
101.02440	2.3
102.98890	9.5
113.00961	9.4
113.02438	2.0
114.01039	1.0
114.98895	1.1
115.99684	4.3
117.00451	9.2
117.97598	1.5
119.03526	1.7
125.00960	6.9
126.98885	0.8
127.02518	1.7
129.00443	1.4
130.98367	2.4
141.00456	14.6
142.00583	1.0
143.99156	5.6
153.00452	10.3
154.00534	1.1
155.01979	1.8
156.99927	1.1
163.03969	0.9
167.02010	1.9
168.99933	3.3
171.01457	1.1
173.04503	0.8
179.05582	3.0
183.01505	8.4
184.01744	1.0
195.01492	40.5
196.01691	5.0
201.02565	12.7
202.02737	1.7
213.02579	1.1
217.02031	4.3
225.02557	1.8
228.95981	1.5
243.03604	100.0
244.03766	11.3
255.03671	2.0
261.04730	0.9
273.04700	2.5
275.02692	1.1
303.05722	9.6
304.05829	1.5
304.24799	0.8
341.10800	7.7
342.54565	0.8
363.07852	15.7
364.08167	2.7
423.10052	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01722	1.1
61.98838	0.5
70.76291	0.9
71.01400	0.6
75.00891	1.1
77.42213	0.3
87.92832	0.3
88.35157	0.3
109.43823	0.4
133.60928	0.3
165.05731	0.3
201.51762	0.4
238.55724	0.3
257.11874	0.3
279.02988	0.5
285.98199	0.3
385.67908	0.3
421.30069	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33125	0.6
55.01879	1.7
57.03445	1.4
59.01384	35.4
60.01715	0.9
61.98845	0.8
66.94524	0.5
69.55818	1.9
69.56242	2.0
70.64410	0.5
71.01389	13.7
72.99294	1.7
73.02944	3.5
75.00876	16.2
81.03419	0.7
83.01388	2.8
85.02951	5.1
85.06582	0.6
87.00889	1.6
89.02461	3.9
93.03464	0.7
95.01431	1.2
99.00886	1.9
99.08173	1.0
101.02455	9.4
102.82426	0.5
112.01776	0.6
113.02490	3.5
113.09743	0.9
117.03434	0.5
119.05032	2.4
125.02443	0.7
129.01947	0.9
131.03596	0.5
135.04553	1.3
141.01874	0.6
143.10677	0.6
144.80861	0.6
145.02959	2.3
149.06004	0.5
150.05569	0.6
161.02457	2.3
161.04520	1.2
163.04010	1.0
199.03908	0.6
213.18671	1.1
226.06424	1.0
227.03532	1.3
241.17995	1.6
255.02968	2.2
258.90176	0.6
259.19150	26.0
260.19504	2.4
279.02914	2.5
284.03217	1.8
285.04047	2.0
289.16556	2.6
299.05453	0.6
318.07513	2.1
361.22556	0.9
371.09488	0.8
403.23364	3.6
421.24445	100.0
422.24817	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	421.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82415	1.0
59.01385	100.0
60.01712	1.8
61.98849	1.1
64.38071	1.0
68.25719	1.0
70.19243	3.5
75.00878	3.9
96.96076	1.4
98.19931	1.1
122.67638	0.9
122.68608	1.0
139.61140	1.0
143.98639	1.1
150.04869	1.1
161.25688	0.9
240.24509	1.1
242.48924	1.1
258.95868	1.0
279.03003	2.0
282.54947	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
59.13576	0.5
60.01721	1.7
69.32895	4.8
75.00874	1.6
136.16379	0.5
141.01746	0.8
179.63049	0.5
183.02879	0.6
307.28952	0.6
357.05850	0.5
371.26797	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
69.91279	2.2
78.95907	29.9
79.64336	0.6
80.96516	1.8
110.98533	49.5
114.24226	0.7
152.99585	3.8
167.01140	1.5
185.02202	100.0
186.02519	2.5
211.82462	0.6
237.80115	0.6
253.21727	25.8
253.24411	1.3
254.22057	2.6
339.20013	0.8
421.23553	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69095	1.3
56.60584	1.6
63.84456	1.4
69.97588	7.3
79.62347	1.4
80.96524	2.7
83.55505	1.3
86.78251	1.2
96.96012	2.3
101.16656	1.5
104.74405	1.4
110.65687	1.3
119.04944	1.4
127.07304	1.2
140.76341	1.3
142.95393	1.3
163.11296	100.0
164.11617	6.2
200.33174	1.3
201.35475	1.4
242.56535	1.7
339.19284	3.4
339.23309	64.4
340.23703	10.5
340.71396	1.4
421.22238	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	421.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17338	0.5
58.22197	0.5
59.01383	100.0
60.01720	1.5
61.97116	0.5
71.01382	3.6
73.02963	1.5
75.00876	8.8
83.01375	0.7
85.02972	1.7
89.02441	1.3
101.02444	2.7
113.02481	1.8
119.05022	1.0
128.59601	0.5
133.79312	0.5
145.02951	3.2
146.03252	0.7
161.04622	2.0
163.03934	0.6
163.24588	0.5
178.63863	0.5
202.41487	0.5
279.03043	1.4
301.16669	1.7
319.17593	8.0
361.18677	6.5
362.18954	0.8
407.17325	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2084
Annotation	1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01879	6.2
57.03460	7.9
58.00570	3.0
58.07131	0.8
59.01384	46.3
60.01693	0.8
69.03428	1.5
71.01389	100.0
71.62229	1.3
72.01692	2.1
72.99290	2.7
73.02952	36.2
74.56955	0.8
75.00530	0.8
75.00872	10.3
81.03416	3.2
83.01396	14.0
83.05021	1.0
85.02958	44.3
86.03278	1.7
87.00834	3.6
89.01935	1.5
89.02449	22.9
92.83480	0.8
95.01385	7.3
97.02936	5.2
99.00896	18.1
101.02451	61.1
102.02758	1.0
113.02458	40.5
114.02737	1.8
115.03984	2.1
119.03481	2.0
125.02454	12.3
127.11248	1.2
129.01888	2.2
131.03450	3.9
143.03525	4.7
149.04462	3.3
159.02997	7.7
161.04576	46.8
162.04895	1.6
191.05513	2.8
205.03502	1.6
211.45436	0.9
233.06622	5.3
248.72743	0.9
279.02850	1.5
289.16589	70.8
290.16904	7.2
293.08670	1.9
295.15497	4.3
301.89352	0.8
302.58578	0.9
317.17819	0.9
328.64587	1.0
333.15588	1.3
334.09027	1.0
421.20432	42.8
422.20847	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	421.1634
Annotation	Chapelieric acid
Peak:m/z	Relative Intensity
57.03440	4.7
59.01387	86.2
61.98832	4.2
62.99641	3.8
69.50293	26.7
71.01382	32.0
71.52606	3.8
73.02949	5.2
75.00877	70.4
75.08575	3.6
83.01411	5.2
83.52834	3.6
85.02965	11.3
89.02439	14.1
95.01405	5.0
101.02448	55.8
103.61234	3.6
105.44006	3.7
109.02959	20.9
113.02493	10.7
123.04564	5.6
131.77008	4.3
135.04535	22.2
137.02472	5.8
142.52538	4.0
145.02989	4.6
153.01961	18.3
161.02495	7.5
172.43394	4.1
179.03522	6.3
215.12898	8.0
258.01694	7.2
259.02405	11.7
259.06055	4.6
269.94876	4.1
271.02573	5.6
272.03217	5.6
273.03949	5.0
273.07220	3.6
277.12265	5.3
279.02924	5.1
297.06274	5.5
301.03494	21.1
331.04602	11.1
377.18130	100.0
378.18427	11.0
384.38312	4.9
421.06555	7.1
421.11328	30.4
421.16452	29.6
421.20944	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	421.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	31.8
61.98837	4.9
65.03989	1.3
66.36058	1.1
69.40705	11.9
71.01392	6.4
72.99327	1.3
73.02949	2.9
75.00880	37.2
83.05051	1.2
83.70334	1.3
85.02959	2.6
86.60167	1.2
89.02435	2.2
93.03461	16.4
101.02443	3.7
102.91779	1.4
104.28068	1.2
107.05058	1.4
109.02949	4.2
111.04545	3.0
113.02438	1.5
117.03458	1.4
119.05011	2.0
121.02973	1.3
133.02953	8.8
134.03760	6.2
135.04538	100.0
136.04863	6.8
137.02434	10.7
145.03006	3.9
151.00319	1.3
153.01915	2.0
155.03503	4.9
161.02454	29.8
162.02812	3.7
163.04102	1.5
179.03511	71.6
180.03842	5.6
185.02484	1.6
185.06004	1.4
187.09743	2.8
209.06096	1.3
211.07690	8.8
217.10788	2.8
224.86743	1.2
255.06650	6.9
273.07767	3.0
279.02979	8.3
287.50232	1.5
313.42947	1.4
317.06830	3.5
377.08847	5.2
421.19980	1.8
421.24472	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	421.078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16202	2.0
54.17301	1.8
56.11214	2.0
57.45315	1.9
59.01371	8.3
65.64864	1.9
69.68273	1.7
69.77293	10.1
73.95466	2.0
75.00865	8.9
93.03469	35.8
94.03780	2.4
97.24717	1.8
103.00351	2.4
107.04999	4.0
109.02972	10.6
111.04538	3.6
117.03403	2.6
121.02942	3.9
121.72627	1.7
123.04565	5.6
133.02960	22.6
134.03734	6.2
135.04536	87.5
136.04848	5.7
137.02470	19.7
153.01871	2.8
155.40875	1.7
159.04501	3.3
161.02458	100.0
162.02783	5.4
174.06822	2.4
179.03505	51.4
180.03725	2.0
185.06093	4.6
209.06142	5.1
211.07693	21.8
217.10812	3.8
229.05017	2.2
229.08617	5.0
255.06653	14.7
273.07690	38.9
274.07974	5.0
279.03058	4.1
297.05945	2.4
297.47507	1.8
299.05600	3.6
317.06668	25.4
318.06885	3.0
335.07651	3.8
377.08844	10.5
421.11237	3.3
421.24438	4.1
424.32285	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	421.078
Annotation	Isomangiferin
Peak:m/z	Relative Intensity
55.55559	0.8
57.03458	1.2
59.01383	57.3
59.45001	0.9
61.98833	2.7
67.66462	0.7
70.26946	0.8
71.01397	8.9
71.05025	2.1
71.61600	1.2
72.99323	0.8
73.02952	3.1
74.02499	1.1
75.00880	19.5
75.43994	0.7
83.01395	1.2
85.02956	2.5
87.00859	1.0
89.02458	4.1
93.03464	2.1
95.01425	1.3
99.00890	1.2
101.02453	6.5
109.02969	6.8
113.02454	2.8
115.99317	0.9
117.03435	0.8
119.03517	1.5
119.05022	2.0
121.02955	2.9
125.02469	1.4
133.02962	1.9
135.04529	6.6
143.04697	1.4
143.07152	8.7
145.02989	1.8
147.04482	1.0
153.01981	1.9
156.05814	0.9
159.04510	1.8
161.02469	2.0
161.04576	1.8
163.00394	1.5
171.04453	2.2
172.05270	1.0
173.06049	1.4
174.03168	0.8
175.03998	1.1
177.05472	1.1
179.03456	1.1
182.00484	0.8
185.02333	1.3
187.03830	0.8
199.03838	1.1
200.04842	4.5
201.05576	1.1
211.03972	1.1
215.03564	4.0
215.07091	11.5
215.12843	1.8
216.07352	0.9
217.01230	0.9
223.09758	2.4
227.03484	1.9
229.05040	1.2
230.02074	1.4
243.03038	5.7
244.03656	1.2
245.04515	1.5
255.02895	1.2
258.01694	28.3
259.02463	38.5
259.05972	5.5
260.02789	3.7
260.05695	0.9
267.02841	0.9
271.02475	37.9
272.03238	35.1
273.03949	9.2
279.03043	1.7
281.04446	0.8
283.02640	1.5
283.05637	1.0
285.04047	11.3
298.01147	4.7
301.03540	100.0
302.03934	10.1
304.02158	1.3
306.07632	3.0
313.03510	9.2
315.04959	1.3
331.04590	66.8
332.04993	6.7
343.04825	1.5
355.04477	1.5
361.05759	0.9
361.15009	1.7
371.08920	1.0
377.18143	12.3
378.18387	1.6
382.01929	0.8
385.05423	1.3
403.06656	7.9
404.07025	1.4
416.05606	1.0
421.07700	45.6
421.20807	8.2
422.07980	6.9
443.03891	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00618	0.5
59.01384	15.2
59.04482	0.4
60.01721	0.5
61.01801	0.5
61.98834	100.0
70.49255	1.1
71.01391	3.2
73.02945	0.8
75.00887	4.7
83.01430	0.6
85.02965	1.2
89.02449	1.9
93.03487	0.7
99.00874	0.4
101.02444	1.8
109.02963	2.5
113.02470	1.1
119.03535	0.8
119.05040	0.6
123.04591	0.9
133.02953	0.8
135.04543	3.0
137.02461	0.7
145.03030	0.5
147.04533	3.2
148.98088	0.4
153.01994	1.6
153.09299	0.4
159.04539	0.8
161.02451	3.8
161.04530	0.6
164.15367	0.3
171.13959	0.4
179.03528	1.1
185.02477	0.4
186.60907	0.4
211.07745	0.7
213.80832	0.5
215.12950	0.5
217.10883	1.3
237.00247	0.5
260.28973	0.4
269.08234	1.7
273.07666	1.3
279.03070	1.5
297.06192	0.6
301.30878	0.4
317.06897	0.8
377.18274	1.5
421.12030	1.8
421.20688	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	420.2759
Annotation	6-Deacetylperegrine
Peak:m/z	Relative Intensity
58.08354	0.4
59.01370	1.0
61.98843	4.4
65.34811	0.4
70.04095	1.6
72.01048	0.4
72.08116	0.5
73.69697	0.5
75.00878	1.0
78.74955	0.5
79.96346	0.4
90.24273	0.5
93.03443	0.5
96.96004	0.7
98.20275	1.3
100.91358	0.4
101.78432	0.6
121.02962	100.0
122.03294	4.8
135.04538	1.0
191.03525	1.3
192.03966	1.0
227.02878	0.5
358.00192	0.5
374.74307	0.5
376.18820	0.5
408.40024	0.5
420.27554	53.8
421.27936	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68971	0.3
54.42493	0.3
57.03440	0.5
59.01384	100.0
60.01721	2.0
61.01826	0.9
61.98847	0.5
66.10693	0.3
66.43439	0.3
69.44943	1.6
69.45379	1.4
70.40670	0.4
71.01392	4.2
72.99300	1.9
73.02956	1.5
75.00876	7.7
83.01409	0.9
85.02975	2.3
89.02428	0.6
98.19912	0.7
101.02445	2.4
112.17580	0.4
113.02457	1.0
113.49113	0.4
114.88552	0.4
118.99874	0.6
119.05044	1.0
125.02454	0.8
135.04581	0.5
143.03513	0.5
161.04573	0.7
172.05345	1.3
191.03647	0.9
199.04021	0.9
200.04755	0.7
227.03615	1.3
228.04364	0.7
229.12364	4.5
230.12746	0.5
247.13264	0.5
247.89648	0.4
255.13792	0.6
255.19606	0.6
257.12018	1.1
259.13541	0.4
273.11609	0.6
273.15042	0.8
279.03073	0.4
287.13171	0.6
299.12921	4.6
300.13593	0.6
313.14911	0.5
331.15610	0.5
359.24536	0.7
377.25345	2.4
419.21939	1.0
419.27560	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	420.0576
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.9
61.98834	100.0
69.36913	3.5
71.01398	0.4
72.74547	0.3
75.00879	1.7
88.90755	0.4
98.19904	0.7
101.02451	0.7
109.02960	4.5
113.02486	0.5
125.02483	0.5
145.02997	0.6
147.04549	2.4
159.04529	6.8
269.08325	2.3
269.10809	0.5
270.08475	0.8
313.07324	0.4
419.22784	0.7
420.05789	0.5
420.23297	1.1
421.24710	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.0
61.98836	100.0
64.04893	1.3
71.32508	2.6
75.00866	3.6
96.96010	1.9
127.87032	1.6
133.25188	1.3
135.04515	2.8
136.04889	2.1
151.97774	1.2
162.92570	1.7
167.53954	1.1
191.03517	2.3
192.03993	2.1
212.08763	1.3
220.14716	1.5
274.06775	1.6
357.13358	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	419.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01914	1.5
55.76029	0.4
55.77766	0.4
57.03494	1.6
57.37442	0.4
57.74904	0.4
58.00617	0.8
59.01106	1.4
59.01384	37.5
60.01738	0.8
61.98868	1.4
69.03510	1.3
69.84282	1.5
69.84694	0.9
71.01388	17.4
72.99350	1.5
73.02950	4.8
73.70082	0.4
73.91623	0.4
75.00868	3.1
77.71725	0.4
83.01377	3.7
85.02950	8.4
85.49295	0.4
86.00143	0.5
87.00879	3.6
89.02523	1.2
95.01447	1.4
97.03027	1.5
99.00883	2.4
101.02451	8.4
111.00927	1.0
112.01704	0.8
113.02458	3.1
119.03555	0.9
119.05090	1.2
124.01739	1.5
125.02468	2.4
128.26646	0.5
143.03482	0.9
145.03111	0.6
163.04034	0.5
169.16081	1.7
177.05507	0.6
197.15590	1.9
199.17171	0.8
207.34676	0.5
215.16518	44.9
216.16882	3.4
224.01231	0.4
227.16574	1.0
229.18077	1.4
229.90352	0.4
257.17599	1.3
282.63956	0.5
285.10742	0.5
299.18594	0.4
317.17471	2.6
356.17825	0.6
359.20758	27.3
360.21008	3.6
377.21811	68.3
378.22171	8.6
419.22855	100.0
420.23199	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	419.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92849	0.4
59.01384	100.0
60.01719	1.3
60.64007	0.4
63.64145	0.4
69.39996	3.7
71.01390	2.3
73.02949	1.1
75.00880	1.3
85.02959	1.2
87.04519	60.1
87.14622	0.4
88.04843	1.7
98.20637	1.0
101.02438	1.9
103.18575	0.4
105.26270	0.4
110.62183	0.5
113.02415	1.2
116.29588	0.4
121.02921	0.5
161.04454	0.6
163.04086	0.7
191.03574	0.9
193.69328	0.5
307.17352	0.8
312.53317	0.4
377.21616	0.8
420.87448	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.244
Annotation	Methyl ent-16-acetoxy-6,13E-labdadien-15,17-dioate
Peak:m/z	Relative Intensity
55.60985	1.1
59.01348	1.6
71.61526	1.5
75.95824	1.1
96.96079	1.5
99.92565	1.5
105.03453	3.7
105.63689	1.1
117.03436	1.6
121.03008	1.6
132.02180	5.6
133.02969	20.8
134.03770	14.3
135.04561	7.8
137.02434	6.3
148.05309	6.3
150.59929	1.2
160.01665	47.1
161.02477	14.6
161.06093	4.5
175.04008	100.0
176.04308	5.3
177.01971	1.6
178.02731	2.2
179.03511	3.4
180.77966	1.3
193.05042	7.5
197.18941	1.6
204.11549	1.4
243.19620	12.8
244.20190	1.6
247.09767	2.2
286.38153	1.2
289.14609	1.5
303.16006	2.7
315.45340	1.3
317.17624	3.3
319.22784	1.9
331.19144	1.6
384.08807	11.5
387.21600	9.9
388.21985	1.3
419.24423	78.8
420.24896	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2075
Annotation	Armillane
Peak:m/z	Relative Intensity
51.14476	0.7
57.03187	0.9
57.03453	15.4
59.01369	1.6
81.03464	43.9
82.03792	1.6
83.01382	6.5
97.06612	0.7
121.03011	0.8
123.04527	2.1
125.02455	100.0
126.02762	3.7
135.04509	0.7
176.68544	0.5
181.15994	1.8
191.03493	1.3
205.15981	1.0
207.17548	8.2
209.15511	2.5
221.19151	1.6
225.18607	2.2
231.17497	6.4
232.17908	0.7
247.20720	2.6
249.18593	14.1
250.18921	2.0
251.16577	0.9
271.20636	4.3
273.18613	3.6
275.16544	3.0
289.21689	2.8
290.22055	0.6
291.19757	1.8
293.17599	47.2
294.17957	5.1
313.21759	2.3
315.19708	1.7
317.17719	0.7
328.00650	0.6
331.22879	1.3
333.20782	3.1
334.92892	0.7
357.20724	5.9
375.21793	13.0
376.22147	2.6
401.19720	10.2
402.20117	1.9
419.20810	17.2
420.21152	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06205	0.7
53.88602	0.8
57.03451	2.1
58.00596	0.8
59.01383	17.2
61.98828	1.3
70.44335	1.9
75.00873	3.1
83.05013	1.3
87.00876	1.1
87.04521	1.1
93.03483	1.1
95.04987	0.7
97.06601	3.0
99.04518	1.5
106.06614	1.0
109.06591	14.7
111.04565	4.0
111.08152	2.2
120.41818	0.8
123.08167	8.9
125.06078	1.3
125.09704	1.8
127.07647	1.8
135.08174	17.1
136.08546	1.0
138.06873	7.7
141.09229	1.6
141.31677	0.8
151.48894	0.9
153.09219	35.6
154.09583	1.6
155.88936	0.8
167.10667	0.8
187.09775	4.8
199.09648	0.9
201.11353	5.4
217.10812	100.0
218.11142	6.6
223.68658	0.9
259.17145	1.2
323.18677	1.4
339.21765	4.6
341.19745	9.4
342.19919	1.0
348.29422	0.8
357.22614	0.8
359.20697	2.2
401.21802	10.4
402.22153	1.8
419.22894	94.4
420.23270	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	419.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
56.91632	0.5
57.03445	1.4
59.01380	100.0
60.01720	1.6
69.03473	0.5
69.98200	1.8
71.01382	10.0
72.99317	1.6
73.02949	3.1
75.00875	34.0
83.01390	1.7
85.02943	3.6
86.00120	0.8
87.00875	0.6
89.02457	2.6
93.03459	0.8
95.01366	1.0
97.06600	0.9
97.86526	0.5
98.20622	0.8
99.00913	0.9
101.02449	5.6
109.02945	1.3
111.00904	0.6
113.02420	3.1
116.10928	0.5
117.03448	2.7
119.03545	0.7
119.05030	8.3
121.02986	0.6
122.06139	1.9
123.08176	1.3
125.02428	0.8
135.04526	1.0
136.07681	0.6
136.68137	0.5
143.10788	1.4
145.02962	13.5
147.04518	1.0
150.05606	1.9
151.04025	0.5
161.02428	1.0
162.05643	1.2
163.03981	2.9
164.03584	0.7
171.05638	2.1
173.07254	1.0
177.05563	1.3
188.08282	1.5
194.04616	1.8
198.06844	0.6
209.28391	0.5
213.09207	2.4
214.06233	17.0
215.06485	1.5
221.04640	1.2
226.05867	0.6
227.03490	1.2
227.07071	0.9
228.07820	3.6
229.04103	0.7
239.07088	4.0
239.11887	1.3
239.16570	0.9
240.07623	0.6
242.05647	0.6
243.08966	0.6
255.02998	1.0
255.10359	1.0
256.03540	0.8
256.07294	4.1
257.03732	1.1
257.06903	2.3
257.17606	3.4
269.06793	17.1
270.07089	1.1
271.08435	0.9
284.60538	0.6
286.03928	1.3
287.04352	0.6
299.07669	12.3
300.08273	0.7
317.16251	0.6
343.21289	1.0
357.22861	1.2
359.16287	0.8
359.20862	0.7
360.17209	0.7
362.18842	5.2
377.25244	1.0
401.21902	1.5
406.17670	2.1
419.12433	20.1
419.22791	60.0
420.12320	2.2
420.23157	9.5
440.03448	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59213	0.6
57.03447	1.1
58.00626	0.7
59.01384	100.0
60.01716	0.9
61.98840	4.5
67.02994	0.6
69.85976	1.7
69.86378	1.6
71.01385	20.0
71.01764	1.2
71.05033	3.4
72.99309	1.9
73.02956	2.6
75.00883	12.3
83.01421	2.2
85.02958	4.6
87.00894	1.0
89.02455	12.7
89.02996	0.9
94.93521	0.7
95.01415	1.2
96.96046	1.4
97.06599	1.1
98.19956	1.1
99.00907	1.0
101.02458	9.5
109.02986	1.9
109.06620	1.2
111.00903	2.9
113.02471	4.8
113.06097	0.7
119.03545	5.6
125.06105	1.4
131.03560	0.7
131.07196	1.1
135.04573	2.1
135.08167	0.7
143.07149	17.0
144.07497	0.8
145.03020	1.8
147.04468	0.7
148.04060	0.6
153.09306	1.2
159.04544	0.8
161.02463	1.9
161.04597	3.9
175.04016	1.0
179.05695	2.1
179.10773	0.9
185.06117	1.3
187.07672	7.7
187.09303	0.9
188.08038	0.8
211.07643	0.8
213.09209	3.6
214.06247	7.3
217.10863	3.5
228.05487	1.6
229.12352	1.0
239.07076	2.9
243.07935	1.8
255.10515	1.8
257.04422	1.2
257.06693	10.0
258.07385	0.8
266.07010	1.9
267.07428	1.1
273.11359	0.9
275.11584	0.8
279.03140	0.9
281.09357	2.1
283.06134	1.3
293.12476	6.0
299.09213	11.5
300.09912	1.0
301.07285	0.9
313.12106	0.9
317.10556	1.6
343.08752	1.6
347.17203	3.9
359.17130	20.2
360.17624	2.5
377.18182	8.0
378.18860	1.1
401.09854	1.2
401.22269	1.0
419.11755	8.5
419.19421	20.4
420.11841	1.5
420.19696	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	419.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
57.03451	1.4
58.65477	0.5
59.01383	100.0
60.01702	1.0
66.62341	0.6
68.53011	0.6
71.01385	8.9
71.05026	1.0
71.62119	0.9
72.01714	0.7
72.99310	1.8
73.02950	2.6
75.00878	35.2
78.91891	0.7
83.01406	2.1
84.00875	1.0
85.02959	4.1
86.00115	0.6
89.02456	2.5
95.01371	0.6
96.60739	0.5
97.06614	0.6
99.00876	1.2
101.02447	6.3
102.21503	0.6
109.02920	1.1
111.00906	0.5
113.02433	2.9
113.09778	0.6
117.03490	3.3
119.03566	0.9
119.05030	9.6
121.02968	0.7
122.06126	0.9
125.02398	0.7
133.06694	0.7
135.04565	1.4
136.07709	0.7
143.10774	1.3
145.02954	20.2
147.04518	1.1
150.05606	1.4
161.02411	1.1
161.04680	0.9
162.05624	1.2
163.04015	4.5
164.03522	1.3
168.06616	1.3
171.05652	1.9
173.07140	1.1
177.05591	1.4
183.09976	0.7
188.08321	1.1
194.04596	2.6
213.09200	2.3
214.06221	11.8
215.06886	0.6
217.10953	0.8
221.04572	2.2
227.03554	0.8
228.07787	3.3
229.04196	0.8
239.07158	3.5
239.11934	0.8
239.16444	1.3
242.05812	0.6
255.02916	0.9
255.10472	0.8
256.07199	2.8
257.03778	0.7
257.06815	2.3
257.13837	0.6
257.17560	3.1
269.06824	13.8
270.07187	1.4
284.03326	1.0
285.03592	0.8
286.03909	1.1
299.07675	9.6
300.07910	1.0
343.21216	1.4
357.22733	0.7
359.20779	1.0
360.17264	0.9
362.18787	6.0
376.15094	0.7
376.20416	0.6
377.25745	0.7
401.21860	0.8
406.17831	3.6
419.12527	14.2
419.22772	63.3
420.12454	2.1
420.23227	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	419.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48480	0.5
55.25544	0.7
59.01386	100.0
60.01736	1.5
69.36916	2.1
69.37338	3.4
70.91373	0.6
71.01388	7.0
72.99332	1.9
73.02953	3.1
75.00877	24.0
75.01290	1.2
76.01197	0.9
80.48386	0.6
83.01408	1.4
85.02975	2.9
99.00887	1.1
101.02458	5.3
109.02982	1.1
113.02483	2.7
118.99908	1.0
119.04996	0.8
121.03004	0.8
125.02474	0.9
135.04480	1.0
139.04132	0.6
145.02945	0.6
161.02477	0.8
161.04604	1.1
162.05602	0.7
163.04088	1.0
172.05309	6.5
173.05911	0.6
181.50378	0.6
183.04591	1.0
187.04066	1.7
189.82298	0.5
191.03548	1.2
197.05991	0.7
197.15541	1.3
199.04036	3.3
200.04840	2.0
201.05432	0.6
204.04343	1.3
213.05562	0.6
227.03487	5.3
228.04430	3.9
229.12332	23.4
230.12701	2.5
247.13661	1.0
255.13968	1.8
257.11911	4.0
257.14832	0.6
257.17651	1.5
271.13660	0.9
273.11395	3.0
273.15024	1.7
287.13080	1.3
299.12900	18.5
300.13266	2.9
313.14716	0.6
315.14767	0.8
317.13962	1.0
331.11993	2.5
331.15674	2.2
363.46399	0.6
377.21704	1.6
377.25800	1.9
419.22726	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	419.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72596	1.3
55.01881	1.9
57.03449	2.2
59.01382	68.0
69.03458	2.9
69.53721	11.9
69.93935	1.6
71.01385	30.8
72.99310	4.4
73.02945	6.1
75.00877	29.7
76.06846	1.6
81.03457	2.4
83.01405	5.2
83.05033	7.3
85.02955	7.2
87.00874	2.6
89.02463	3.4
90.24528	1.4
93.03468	8.6
95.01363	2.1
99.00966	2.5
101.02460	10.6
107.90543	1.5
109.02959	3.7
110.03750	1.7
111.04536	13.8
113.02450	7.1
118.99868	4.3
119.05033	12.0
121.02951	12.0
123.04527	1.8
135.04552	4.1
136.07710	2.2
139.04047	17.0
145.02989	2.6
147.08195	3.0
149.91869	1.4
158.03740	3.6
158.07491	1.7
159.04498	10.9
159.19275	1.5
160.05289	1.8
162.05736	2.1
163.04076	5.8
172.05328	10.1
173.06081	5.8
176.04692	1.7
177.05595	2.8
177.34415	1.5
185.06088	2.3
186.06856	2.0
187.04054	1.9
188.04819	6.8
189.05536	3.1
197.06100	4.2
199.04044	3.1
200.04784	2.5
201.05522	2.2
202.80237	1.6
215.10782	6.6
216.04276	5.3
229.12329	17.4
230.12868	2.2
231.13860	3.4
233.69513	1.5
241.05460	1.7
243.13985	5.5
247.13306	2.1
255.13997	3.3
257.11829	4.6
257.21240	25.3
258.21609	2.1
259.13373	21.0
260.13727	1.9
269.15463	8.0
271.13269	3.3
273.11377	3.7
273.14948	3.5
285.15027	3.5
287.12921	16.9
287.16583	5.8
288.13501	2.1
299.12982	8.7
303.15967	2.1
313.14499	6.7
317.14102	2.9
317.17542	18.0
331.15524	6.1
359.20892	1.9
375.18298	2.7
401.25653	2.8
419.26584	100.0
420.26901	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	419.121
Annotation	9-Bromo-16alpha-methyl-pregn-4-ene-3,11,20-trione
Peak:m/z	Relative Intensity
59.01380	5.8
67.61501	0.6
71.01372	2.6
71.39051	1.5
73.02934	1.0
75.00869	2.3
84.00904	2.5
85.02947	1.2
89.02443	0.7
101.02451	1.8
116.21589	0.6
116.60793	0.6
118.54018	0.6
121.08570	0.6
127.25096	0.7
136.07631	0.9
152.86658	0.7
153.97902	0.7
158.90744	0.6
169.03940	0.7
171.04306	1.1
171.05641	12.3
172.05988	0.8
173.07201	5.5
177.05560	1.6
186.06718	4.3
188.08281	8.5
190.97430	0.7
198.06667	1.1
200.08376	1.1
210.86276	0.8
212.08296	2.8
214.06226	76.3
215.06548	6.4
226.06256	1.1
227.07007	2.5
228.07799	23.2
229.08008	1.6
232.07236	1.9
239.07045	0.9
241.07193	1.4
242.05586	3.7
243.08856	3.8
255.08899	4.0
256.07275	18.1
257.06686	10.3
269.06793	84.2
270.07162	8.2
271.08377	4.3
273.09677	1.0
279.09103	0.8
297.10129	0.9
299.07846	62.8
300.08261	6.0
331.14343	0.7
401.21567	0.7
419.12085	100.0
419.22644	13.1
420.12387	15.9
420.22964	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	418.172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.7
59.01381	100.0
60.01714	7.2
61.98832	41.6
68.20551	1.0
69.03460	1.4
69.45446	5.6
69.45853	2.6
71.01389	5.8
73.02956	1.5
75.00876	17.9
77.30675	1.1
77.60016	1.0
83.01413	2.1
85.02962	2.9
89.02448	2.4
93.03439	1.4
99.00887	0.9
101.02445	3.4
111.04539	2.4
113.02444	2.2
119.05035	15.1
121.02916	1.2
129.98672	1.0
134.06117	1.2
139.04022	1.8
145.02898	1.5
147.08148	6.6
153.12872	3.0
159.04460	1.9
163.04007	4.3
177.05563	4.0
195.13947	3.9
197.15440	1.2
213.14914	2.1
215.10664	1.6
215.16420	5.1
219.13921	2.5
221.86737	1.1
229.12357	2.2
237.14967	8.3
237.34608	1.1
244.16394	1.0
271.59882	1.1
273.18491	1.3
281.14001	2.7
287.13000	1.4
287.16238	1.2
299.12778	1.7
314.56427	1.1
317.17548	36.6
331.19238	1.8
336.82169	1.1
355.17648	21.2
356.17938	2.9
359.20804	6.0
375.18066	4.7
377.21780	10.5
396.64502	1.1
418.29041	1.4
419.22397	14.8
419.27838	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18690	0.3
71.31244	0.7
76.10934	0.3
89.23598	0.3
107.05034	13.1
108.05375	0.6
121.02950	0.4
122.03717	2.0
127.84589	0.4
135.04530	100.0
136.04819	4.9
145.02969	0.6
148.05321	2.2
160.05254	0.4
161.06084	4.7
162.06734	0.7
165.50200	0.3
175.07629	0.6
178.68626	0.3
184.95580	0.4
185.66194	0.3
247.27179	0.3
402.31406	13.0
403.31787	2.5
415.31970	0.3
416.32635	0.4
417.33759	61.4
418.34064	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	418.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.3
59.01385	100.0
60.01725	7.6
61.01790	1.4
61.98838	58.1
69.03451	2.4
71.01380	9.1
71.61342	1.4
73.02946	3.3
75.00879	21.9
83.01421	2.0
83.05044	2.1
85.02950	2.1
93.03493	1.8
101.02454	3.3
113.02464	2.4
119.05044	16.2
121.02959	1.9
139.04016	1.9
147.08130	9.2
151.85760	1.5
153.12830	1.8
163.03943	3.9
177.05565	3.8
195.13939	4.7
215.16556	9.3
218.17728	1.4
219.13943	3.3
227.09224	1.7
229.12221	2.0
237.14899	7.2
259.13397	2.8
263.12985	1.8
281.13986	3.2
296.04535	1.4
311.82217	1.4
317.17584	34.4
331.19150	2.5
354.65198	1.4
355.17670	21.9
356.17743	3.7
359.20822	7.1
372.64423	1.3
375.18164	5.1
377.21634	9.0
418.28757	1.7
419.22397	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	417.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
65.93620	0.2
71.13188	0.2
71.13525	0.2
95.16790	0.2
98.20668	0.2
105.13793	0.2
117.03472	17.7
118.03818	0.6
119.05029	7.8
120.05371	0.4
121.02966	1.2
133.02946	0.4
145.02957	100.0
146.03304	5.9
163.02699	0.4
163.04010	5.0
225.22185	0.5
243.26614	0.2
271.22791	8.3
272.23193	0.8
289.23801	0.2
331.26505	0.5
387.31506	0.2
399.25378	1.0
417.26477	24.1
418.26797	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
69.48841	1.2
84.26888	0.1
89.83294	0.1
103.04644	0.1
104.21682	0.1
112.53853	0.1
117.03474	18.0
118.03806	0.6
119.05033	7.2
120.05415	0.3
121.02985	1.2
123.04524	0.2
133.02953	0.3
145.02960	100.0
146.03300	5.5
146.04492	0.2
163.04019	5.0
163.05394	0.3
164.04376	0.2
222.55159	0.1
225.22281	0.6
247.80800	0.1
271.22787	8.5
272.23184	0.8
331.26370	0.4
355.26077	0.2
399.25476	1.4
400.25546	0.3
417.26483	27.3
418.26831	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01731	1.8
60.51918	0.4
69.59812	2.6
71.01389	2.8
72.25507	0.4
73.02969	1.3
75.00884	0.9
85.02956	1.2
101.02453	1.9
109.02970	0.5
112.81307	0.4
113.02496	0.7
131.72586	0.5
149.66318	0.4
159.04437	0.4
161.04570	0.9
188.45341	0.4
224.97816	0.5
227.03563	0.9
255.03094	1.0
284.03275	1.0
285.04092	1.8
375.24109	0.5
417.08411	1.4
417.21527	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55688	0.3
55.01881	6.3
57.03453	5.4
58.00592	3.9
59.01383	86.5
60.01714	1.5
68.99821	0.4
69.03451	1.0
71.01386	100.0
72.01736	1.8
72.99313	4.5
73.02952	22.5
75.00871	1.4
76.78670	0.3
81.03440	0.7
83.01390	10.8
83.08862	0.4
84.02189	0.7
85.02956	37.0
86.03287	0.9
87.00874	4.7
87.04504	2.2
89.02449	54.7
90.02799	1.3
95.01397	5.9
97.02961	1.9
98.19841	0.8
99.00883	8.8
101.02449	73.1
102.02804	2.2
111.00906	0.9
112.01756	0.8
113.02456	40.4
114.02807	1.2
119.03510	21.6
120.03901	0.7
125.02449	2.0
129.01952	0.9
131.03532	2.3
141.08755	0.3
143.03506	7.1
144.03833	0.4
149.04562	2.4
159.03008	7.2
160.03337	0.4
161.04564	39.6
162.04893	1.3
179.05609	8.5
205.03589	0.5
255.19652	3.0
323.89429	0.3
417.24957	25.0
418.25345	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28908	0.5
59.01383	100.0
60.01717	1.1
71.01389	3.8
73.02962	1.6
75.00887	1.4
85.02968	1.6
89.02489	0.9
93.37472	0.4
101.02439	2.8
113.02474	1.4
161.04610	1.0
226.14171	0.5
237.42822	0.5
375.24152	1.7
417.21399	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
59.34768	0.6
60.01729	1.3
67.02518	0.6
71.01380	4.6
73.02955	1.6
75.00867	1.7
83.01398	1.3
85.02959	1.8
87.16836	0.7
89.02465	1.2
99.00902	0.6
101.02459	3.2
113.02474	1.6
117.63518	0.7
126.44634	0.6
157.06841	0.6
161.04613	1.3
169.18245	0.6
170.22667	0.6
196.99245	0.7
243.16034	0.7
284.03250	0.8
309.05331	0.7
336.69373	0.6
341.59662	0.6
375.24091	2.6
387.31335	0.7
389.97464	0.6
409.98392	0.6
413.19437	0.7
417.21021	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	417.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15363	0.6
55.01887	6.2
57.03453	4.2
58.00587	2.9
59.01382	79.6
60.01714	1.4
69.03457	1.0
71.01386	100.0
72.01711	1.5
72.99321	4.6
72.99672	0.6
73.02952	21.2
75.00880	1.2
81.03462	0.7
83.01392	11.3
84.02148	1.0
85.02956	37.9
86.03289	1.2
87.00871	5.2
87.04527	2.4
89.02447	52.3
95.01400	7.7
97.02967	1.7
99.00881	9.4
101.02448	69.0
102.02791	2.0
113.02455	41.5
114.02847	0.9
119.03509	22.7
125.02486	2.0
129.01981	1.5
131.03546	1.8
143.03485	6.5
149.04517	1.6
154.69420	0.7
155.02745	0.7
159.02989	5.4
161.04562	39.5
179.05644	7.4
183.04079	0.7
195.12016	0.8
197.19093	0.7
205.03667	0.8
209.91808	0.7
213.15019	0.9
255.19754	2.8
375.20438	1.6
400.77240	0.7
417.25119	27.1
418.25549	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	417.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45535	0.6
59.01383	100.0
60.01718	1.6
61.98848	0.6
63.78376	0.6
70.37960	1.0
70.38361	1.3
77.58419	0.6
126.25405	0.5
290.36459	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01719	1.4
69.26873	4.0
69.27284	1.0
73.02995	0.5
87.92690	0.4
89.37926	0.4
96.96713	0.4
98.19895	0.8
133.00728	0.4
234.63719	0.5
245.87044	0.5
303.07034	0.4
389.88446	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37610	0.8
55.01884	2.9
57.03445	3.8
58.00589	1.4
59.01387	33.9
69.29222	9.5
71.01392	30.4
72.99308	1.8
73.02948	8.5
75.00881	7.1
83.01394	6.9
83.05038	1.3
85.02957	15.1
86.00093	1.3
87.00890	2.9
89.02448	5.9
95.01388	2.9
99.00892	4.6
101.02453	23.7
101.06087	1.1
103.32972	0.9
108.00580	1.0
111.00935	1.0
111.18780	0.9
113.02473	9.4
119.03508	2.7
119.96043	1.0
125.06089	2.9
132.99898	1.0
135.04536	2.0
145.02985	2.2
146.03276	1.0
151.00417	1.0
161.02444	2.5
161.04573	2.6
167.06104	1.0
176.56042	0.8
183.04507	1.9
184.01521	0.9
189.05464	1.0
211.04109	1.1
211.07686	3.1
227.03514	51.2
228.03833	4.6
229.05035	1.2
237.15068	1.5
255.03008	65.4
256.03592	10.4
263.11349	1.4
284.03275	62.4
285.03918	17.8
286.04376	2.5
373.22339	1.9
393.09561	1.0
417.08322	74.6
417.21204	100.0
418.08557	11.4
418.21561	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	417.2131
Annotation	Maryal
Peak:m/z	Relative Intensity
55.01879	3.7
57.03445	3.5
58.00587	1.4
59.01384	26.1
60.01721	0.5
61.11605	0.5
69.83931	2.8
71.01386	26.6
72.99303	1.9
73.02950	9.5
73.76875	0.5
75.00871	4.8
81.07068	0.8
83.01398	8.2
85.02954	16.5
86.00109	2.1
86.03273	0.7
87.00875	1.8
89.02444	5.3
95.01384	3.0
97.02943	0.7
98.19863	0.7
99.00886	3.9
101.02448	24.6
102.02769	0.5
111.00890	2.3
111.04532	1.6
113.02459	9.4
117.03465	0.5
119.03485	1.7
125.02412	0.8
125.06091	1.7
129.01968	0.7
131.03503	0.5
135.04518	2.1
143.03496	1.1
149.09969	0.5
159.03004	1.0
159.50728	0.5
161.02473	2.6
161.04546	2.5
179.03438	0.7
207.98860	0.5
226.77328	0.5
237.14935	0.8
255.03214	0.5
255.15913	1.2
399.20114	3.2
417.21307	100.0
418.21600	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2284
Annotation	Phyllanthin
Peak:m/z	Relative Intensity
57.03450	5.9
59.01387	3.5
65.00317	2.5
65.47817	0.5
79.05529	0.5
81.03463	4.9
83.01391	9.9
83.05053	0.8
98.20636	1.2
107.05083	0.6
121.02936	0.7
121.06610	1.4
122.03699	0.8
123.04527	4.7
125.02460	12.0
133.06590	2.5
135.04568	2.3
161.02422	0.6
181.15459	0.5
223.17619	0.5
223.18436	0.8
223.20700	11.6
224.21097	0.9
245.19002	0.6
245.22809	1.8
247.20663	13.6
247.23093	0.9
248.21043	1.5
259.20712	0.8
263.23798	10.2
264.24048	0.7
265.21655	1.2
269.97409	0.5
271.20667	0.9
281.24826	1.3
285.22205	1.3
287.23810	25.5
288.24194	4.6
289.21744	12.7
290.22104	1.1
301.25406	2.1
305.24924	2.4
307.22778	1.0
311.23779	0.7
313.21686	1.0
329.24878	19.7
330.25195	2.3
331.22812	13.1
332.23196	1.5
333.20752	3.9
349.23892	4.4
355.22720	1.0
357.20731	1.2
373.23862	29.5
374.24127	4.9
375.21753	3.4
376.22299	0.6
417.22849	100.0
418.23178	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22393	1.7
54.83384	1.4
56.07804	2.0
57.03447	4.7
57.29858	1.4
59.01379	7.8
61.98826	5.7
70.50117	3.9
73.38917	1.8
75.00867	2.2
77.47607	1.7
78.27986	1.9
81.03465	3.9
83.01432	2.0
90.23945	1.4
107.90269	1.8
122.03743	4.4
123.04525	2.3
125.02441	5.9
128.45378	1.9
135.04536	4.4
161.02351	1.8
221.19170	2.0
245.19099	13.0
247.17224	1.9
259.16931	3.9
269.19125	3.1
271.16873	16.0
285.22150	6.0
287.20184	28.2
288.20392	2.4
289.18176	11.1
305.21176	11.5
311.20081	5.1
313.18161	8.9
329.21198	65.4
330.21439	10.2
331.19183	10.3
355.19125	11.9
373.20181	100.0
374.20493	16.1
399.17957	8.2
417.18689	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	417.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.7
58.00623	0.7
59.01381	100.0
60.01714	0.7
61.98842	0.6
63.66411	0.5
69.69903	3.9
71.01382	6.8
73.02955	3.1
75.00883	4.4
83.01373	1.2
85.02943	3.0
89.02454	3.0
97.06606	1.7
98.20599	1.1
99.00913	0.6
101.02447	5.4
109.02957	1.2
109.06585	2.8
113.02433	3.1
119.03515	1.1
119.79974	0.7
121.02948	0.7
123.08216	1.5
133.03053	0.7
135.04524	1.4
135.08154	3.0
137.02426	0.7
138.06879	1.2
143.03548	1.0
145.02960	1.5
149.02440	0.8
151.11365	0.8
153.09225	6.2
159.03026	0.7
161.02454	2.3
161.04567	6.0
175.04013	0.7
179.05653	0.8
187.09793	1.2
195.10431	0.6
217.10803	21.9
218.11139	1.2
253.05090	0.7
297.07031	1.0
357.15485	2.9
399.20547	3.0
417.21655	10.1
418.21774	1.4
423.46396	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1922
Annotation	Acanthoglabrolide
Peak:m/z	Relative Intensity
51.41457	0.3
57.03452	13.8
59.01387	1.7
65.00329	2.3
65.39615	0.3
68.99834	0.4
70.75149	0.5
70.75491	0.3
74.12943	0.3
79.05529	1.4
80.02663	0.3
81.03465	11.1
83.01397	6.1
83.05031	0.7
91.41830	0.3
97.06599	0.6
100.99470	0.3
105.03488	0.3
107.01428	0.4
121.06599	3.3
122.03725	0.4
122.06882	0.3
123.04536	12.9
124.04839	0.6
125.02455	100.0
126.02778	3.9
133.06606	1.1
135.04530	1.3
147.04517	1.5
148.24585	0.3
149.02451	3.3
151.00378	0.4
154.53069	0.2
162.03250	0.3
165.05548	2.2
167.03481	2.9
181.15985	4.5
182.16318	0.7
191.03519	0.8
193.01456	0.5
203.18011	0.7
205.16000	5.6
206.16284	0.6
221.19141	2.1
223.17125	1.6
229.16016	0.4
239.20097	0.3
245.19095	8.4
245.80696	0.3
246.19427	0.7
247.17030	11.3
248.17404	1.0
259.20694	1.7
263.20215	1.1
265.18152	0.9
267.71362	0.3
269.19156	0.6
271.17026	0.4
271.22797	0.9
285.18719	0.5
285.22324	0.5
287.20181	13.9
288.20544	1.8
289.18097	9.1
290.18555	1.6
291.16019	3.7
301.21884	0.3
305.21259	1.8
311.20126	0.9
313.18115	4.4
314.18301	0.6
315.16058	0.4
329.17767	0.2
329.21231	7.0
329.24921	0.6
330.21478	0.8
331.19147	6.2
332.19519	0.8
333.17038	3.1
334.17386	0.8
349.20227	2.0
355.19217	0.9
357.17056	0.6
365.35855	0.3
373.20172	18.0
374.20599	3.4
375.18146	3.2
376.18390	0.5
417.19193	66.3
418.19565	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	417.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.9
57.03452	1.5
58.00594	1.5
59.01385	31.4
60.01734	0.5
67.01897	0.2
69.03450	0.5
71.01389	31.4
71.05064	0.2
72.01736	0.5
72.99315	1.8
73.02956	6.9
75.00882	2.0
83.01405	3.1
85.02960	10.3
87.00900	1.5
87.04535	0.6
89.02454	20.0
90.02805	0.2
91.01902	12.2
92.02251	0.5
93.03446	0.3
95.01399	2.7
97.02959	0.6
98.19878	0.4
99.00887	2.7
101.02453	23.3
102.02798	0.4
111.00834	0.3
113.02460	12.7
114.02835	0.4
119.03519	8.8
119.04913	0.3
121.02965	1.3
125.02451	0.7
127.67731	0.2
131.03516	1.2
134.06136	0.3
135.00905	15.2
136.01233	0.6
136.07703	0.9
141.07117	0.4
141.27811	0.2
143.03523	2.2
143.04938	0.3
149.04562	0.8
153.01961	4.9
154.02263	0.3
159.03020	2.0
161.04581	11.1
162.05592	0.9
164.07246	0.3
169.06602	9.0
170.06929	0.5
171.04552	0.3
173.11842	0.2
179.05617	3.9
181.06731	0.3
184.00372	0.2
197.06010	1.0
205.03519	0.2
207.66451	0.2
211.04033	0.4
213.05589	100.0
213.14919	0.8
214.05922	8.2
225.05540	0.6
226.06300	0.9
227.07047	1.0
237.05566	0.4
249.66751	0.2
255.06659	2.7
255.19698	2.0
279.06662	0.4
285.12531	0.4
357.19193	0.9
375.20297	1.4
417.20660	1.8
417.25629	6.0
417.33304	0.3
418.25146	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.3
56.37450	0.9
57.01083	0.8
57.03433	1.6
58.00594	1.4
59.01381	100.0
60.01704	1.1
71.01389	32.5
72.01687	0.8
72.99284	1.4
73.02943	3.9
73.27429	0.8
75.00867	2.9
80.88867	0.8
83.01360	2.0
85.02946	8.0
87.00863	1.4
89.02449	30.9
95.01410	1.5
99.00882	2.5
101.02446	20.1
113.02458	13.5
117.98380	0.9
119.03519	11.8
125.02457	1.4
130.69533	0.8
131.03461	1.8
134.24492	0.9
135.04510	2.1
140.47884	0.9
143.03481	3.3
149.04590	1.4
159.02943	2.5
161.02391	3.0
161.04561	28.7
162.04823	0.9
177.09215	1.4
179.05597	5.5
190.18509	1.0
195.10214	2.4
229.23195	1.2
357.15549	20.2
358.15738	1.7
415.04874	1.1
417.17557	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	417.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75352	0.8
55.01875	1.8
57.03457	1.0
59.01385	100.0
60.01721	0.8
61.98832	2.5
69.55212	4.8
71.00996	1.6
71.01388	25.3
71.01763	1.6
72.01727	0.9
73.02952	9.7
75.00883	5.0
75.85283	0.7
83.01400	3.2
85.02957	10.6
87.00902	1.1
89.02473	2.6
95.01408	2.5
99.00910	4.0
101.02456	18.7
109.02978	2.0
110.03283	0.7
111.44155	0.7
113.02454	10.9
119.03477	1.0
121.03020	0.8
139.07646	1.1
143.03546	2.4
145.02988	1.0
159.02982	3.9
161.02464	2.9
161.04575	33.1
161.34453	0.8
162.04933	1.0
165.09224	5.1
175.04066	0.8
179.05664	0.8
185.02449	1.0
205.03717	1.3
232.59727	0.7
295.06082	1.0
297.07007	1.6
310.35541	0.7
340.05664	0.9
341.05856	2.7
341.16113	0.7
343.35931	0.9
357.15607	16.5
358.16171	1.9
417.16913	1.4
417.21600	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	417.083
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79073	0.8
55.01867	2.8
57.03439	1.0
58.00574	1.3
59.01386	20.7
69.48219	0.9
69.51110	6.4
71.01382	17.6
71.05000	0.9
73.02956	5.4
73.03284	1.0
75.00854	4.9
75.10976	0.8
83.01398	4.8
83.05022	1.8
83.64522	0.9
85.02957	9.3
86.00098	0.9
87.00845	1.3
89.02457	4.7
95.01379	1.7
99.00858	1.8
101.02447	11.6
101.06058	0.9
108.85357	0.8
109.02992	1.0
111.00891	0.8
113.02443	4.5
119.03481	2.1
120.63463	0.8
125.06042	2.3
145.02962	1.5
151.00375	1.3
152.77969	1.0
161.02380	1.5
161.04575	1.6
183.04440	1.4
196.62187	0.8
209.01265	0.9
211.04015	1.7
211.07550	1.5
219.17732	0.8
227.03499	74.9
228.03870	6.7
229.05006	2.6
239.03337	1.8
255.02989	100.0
255.15807	1.0
256.03519	16.3
284.03262	97.2
285.03931	28.7
286.04330	1.7
311.98163	1.0
340.41302	0.8
346.55829	0.9
417.08270	95.6
417.21045	55.6
418.08670	14.7
418.21371	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	417.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92487	0.2
55.01876	1.2
57.03463	1.1
58.00603	1.4
59.01383	31.7
60.01715	0.4
69.03462	0.4
71.01387	32.5
72.01733	0.6
72.99314	1.9
73.02951	5.7
75.00878	2.0
83.01394	2.8
85.02956	10.4
87.00894	1.5
87.04537	0.6
89.02451	20.9
91.01897	13.1
92.02246	0.4
93.03483	0.5
95.01388	1.6
97.02973	0.8
99.00889	2.5
101.02452	21.6
102.02789	0.4
108.02222	0.2
111.00864	0.2
113.02457	12.9
114.02775	0.2
119.03509	8.7
119.04952	0.5
121.02973	1.3
125.02480	0.8
129.01950	0.4
131.03510	0.8
134.06172	0.3
135.00891	14.9
136.01233	0.8
136.07658	1.0
141.07141	0.5
143.03505	2.6
143.04707	0.3
143.05051	0.3
145.03029	0.3
149.02492	0.3
149.04578	0.8
153.01945	4.8
159.03012	1.8
161.02541	0.4
161.04568	9.9
162.05734	1.1
164.07169	0.2
169.06595	9.9
170.06932	0.9
171.04564	0.4
174.04361	0.3
174.32567	0.2
179.05615	3.3
181.06544	0.2
187.13094	0.2
188.04700	0.2
197.06100	1.1
211.04048	0.7
213.05579	100.0
213.14885	0.7
214.05913	9.3
225.05664	0.7
226.06342	1.0
227.07166	1.2
229.14581	0.2
235.07713	0.3
237.05699	0.3
239.16599	0.2
255.06645	3.1
255.19681	2.4
256.07071	0.3
268.24115	0.2
279.06638	0.2
285.12460	0.4
297.07758	0.3
331.21298	0.5
357.19208	1.0
375.20230	2.3
417.20892	2.5
417.25742	6.0
418.21054	0.4
418.25568	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00600	0.3
59.01383	100.0
59.59951	0.3
59.94746	0.3
60.01717	1.2
71.01391	5.2
73.02951	3.3
75.00894	1.1
78.01862	0.4
83.01424	1.1
85.02930	1.6
89.02448	2.9
101.02448	5.0
109.02940	0.7
113.02451	2.8
119.03548	1.1
141.38298	0.4
143.03549	0.5
149.13387	0.8
159.04549	0.4
161.02496	0.7
161.04602	1.1
179.05576	0.4
193.12399	1.5
211.13399	1.0
227.03542	0.4
227.07359	0.4
295.06311	0.4
373.22455	2.0
415.23032	0.9
415.27853	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81381	0.5
55.01871	0.7
58.00579	0.5
59.01383	100.0
60.01720	1.3
70.38722	1.3
71.01390	9.1
72.99317	0.6
73.02943	2.8
75.00883	0.6
83.01413	0.9
85.02954	2.6
87.00896	0.4
89.02451	5.6
95.01392	0.9
95.19695	0.3
97.98897	0.4
98.31268	0.3
99.00928	0.8
101.02451	6.2
111.82734	0.4
113.02472	3.3
119.03516	1.5
122.22099	0.4
122.45190	0.3
143.03554	0.6
159.03009	0.3
161.04587	2.8
169.60329	0.4
176.72046	0.3
211.17160	0.7
355.21439	0.6
373.22302	7.0
374.22726	1.0
415.23550	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0466
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80344	3.4
58.60246	3.8
59.01387	82.3
61.98828	4.7
63.71055	3.6
66.33343	3.6
69.50280	29.4
71.01382	44.3
72.99347	3.8
73.02948	16.9
75.00881	68.6
83.01405	4.0
85.02959	15.5
89.02452	6.1
93.03452	11.5
95.01385	4.4
98.19881	5.8
99.00849	7.6
101.02447	22.3
106.06628	3.9
109.02959	30.9
110.03263	5.6
113.02455	17.3
117.03397	6.5
118.99846	6.1
121.02960	40.7
123.04538	44.9
133.02945	14.1
135.04553	39.2
136.01671	7.2
137.02504	29.5
139.06737	3.6
139.07617	21.5
145.02937	13.6
147.00932	7.0
147.04506	7.4
149.02417	37.3
149.06122	8.1
150.57138	4.2
151.04025	61.3
160.01651	5.1
161.02470	86.1
161.04526	44.0
163.03998	7.2
173.02428	17.0
174.03177	10.3
175.00383	25.0
175.04025	31.4
177.01926	53.9
178.02222	5.0
179.03514	48.0
185.06139	5.5
187.04178	3.7
189.01909	4.9
191.03539	9.3
195.10242	5.0
197.06056	7.8
205.01509	5.6
207.03006	100.0
208.05289	3.9
211.07646	5.5
219.02814	4.6
224.04880	6.6
225.03598	4.1
225.05511	20.0
237.04054	11.2
239.03270	4.3
241.04959	11.3
243.06496	6.2
251.03578	4.9
253.05109	25.5
253.08679	4.6
254.05536	4.8
255.06630	8.4
256.03699	4.5
265.05032	7.3
268.03781	6.8
269.04559	19.7
271.03430	5.2
271.06174	57.6
271.09167	6.9
272.06235	5.2
279.03110	5.2
283.06137	65.9
284.06464	6.4
293.04620	10.1
297.04022	71.8
297.07599	21.5
298.04257	6.4
311.05634	45.8
312.05997	4.8
329.06741	6.1
341.06616	7.2
357.15509	16.8
387.07199	4.4
417.08453	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73757	0.4
53.20947	0.5
55.01881	0.6
59.01384	100.0
60.01717	1.7
61.65411	0.5
62.98477	0.5
69.76541	0.8
69.76942	2.0
71.01385	4.5
73.02962	1.3
75.00875	5.4
83.01404	0.9
85.02969	2.1
86.02540	0.4
89.02500	1.1
94.94012	0.4
97.76869	0.4
99.00891	0.6
101.02444	3.6
113.02487	2.0
119.02622	0.5
121.63139	0.5
137.02464	0.5
145.02962	1.1
161.02486	1.4
161.04578	1.3
185.37863	0.5
201.11296	0.5
227.03477	0.9
255.03093	1.0
281.77179	0.5
284.03354	0.9
285.04095	2.5
373.22360	2.0
415.23553	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
63.37336	0.8
66.87609	0.9
69.34100	1.7
69.34512	8.5
71.01382	8.9
73.02950	2.6
75.00868	1.2
77.40590	0.9
80.64043	0.9
83.01411	1.9
83.32972	0.9
85.02963	2.2
89.02467	2.8
101.02450	4.5
108.39391	0.9
113.02463	2.8
119.03483	1.6
161.04575	2.7
201.18433	0.9
373.22131	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26680	0.3
59.01384	100.0
60.01719	1.3
61.98852	0.7
64.33307	0.4
69.70823	0.9
69.71239	1.0
71.01385	3.5
73.02959	1.2
75.00876	1.7
83.01423	0.7
85.02962	1.7
89.02455	1.0
96.98027	0.4
99.53513	0.4
101.02458	2.8
113.02505	1.1
119.05019	0.4
130.61478	0.3
148.61162	0.4
161.02477	0.4
161.04604	1.7
213.11363	0.5
225.91527	0.4
227.07292	0.4
255.03021	0.5
284.03476	0.5
285.04251	0.4
326.85056	0.4
373.22284	1.7
400.03870	0.3
415.23227	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	415.1977
Annotation	6-Acetoxy-7-hydroxymyrcene-7-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
53.86001	0.5
55.01864	0.6
58.00596	1.0
59.01384	100.0
59.99192	0.5
60.01701	1.3
69.03468	1.0
71.01385	18.7
71.05060	0.6
72.99339	1.3
73.02953	26.2
74.03314	0.8
75.00872	3.0
83.01392	7.6
85.02962	2.6
87.00897	0.6
89.02451	5.2
95.01374	0.6
97.06623	0.7
99.00864	0.6
99.04569	0.6
101.02453	22.0
102.02737	0.5
107.31182	0.5
109.03004	1.5
112.77654	0.5
113.02453	5.4
117.63975	0.5
119.03533	2.0
125.02502	0.8
126.49219	0.6
129.63243	0.5
131.03554	1.1
143.03537	0.9
144.97131	0.6
145.02957	1.3
149.04593	1.7
149.13390	6.3
149.89011	0.6
153.09193	0.9
155.03525	0.7
161.02484	1.3
161.04573	4.2
162.05170	0.5
193.12346	15.7
193.14125	0.9
194.12685	1.5
211.13470	0.6
217.10907	2.9
227.07300	0.6
229.21245	0.7
285.04086	0.9
295.06174	0.7
415.23407	2.2
420.17642	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38400	0.7
55.01880	2.8
57.03454	3.5
59.01384	100.0
60.01722	1.2
69.03470	1.0
70.37878	2.8
71.01391	31.4
72.99312	2.0
73.02960	14.7
75.00877	4.2
83.01391	7.0
83.05049	0.8
85.02955	17.8
86.00079	1.0
87.00887	2.7
89.02446	11.7
89.58757	0.8
93.03478	0.9
95.01382	2.6
97.02959	1.2
99.00865	4.1
101.01795	1.2
101.02454	23.4
102.02808	1.7
109.02998	1.0
109.06606	4.9
111.04504	1.1
111.08183	0.9
113.02457	12.6
114.02800	0.9
119.03514	4.4
123.08148	3.4
125.02445	1.3
135.08147	3.4
138.06886	2.1
143.03441	1.9
145.02896	1.0
153.09219	10.7
154.09581	0.8
159.02908	1.0
160.76093	0.7
161.04579	5.0
179.05640	1.1
187.09682	1.6
198.84007	0.8
211.13219	1.3
217.10809	31.3
218.11031	2.1
227.07063	0.9
268.69669	0.7
285.03815	1.6
329.19778	5.3
333.20660	0.8
355.17648	9.7
356.17593	1.2
373.18677	19.4
374.18729	2.6
387.92389	0.8
396.23361	0.8
397.22369	11.1
398.22583	1.4
415.19333	52.1
416.19763	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	415.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53042	0.6
54.22097	0.6
55.12812	0.6
66.69945	0.7
71.61468	1.1
74.99097	7.2
75.00876	0.7
77.00667	79.2
78.01015	0.8
87.06844	0.7
109.02974	1.4
121.01595	0.6
138.81529	0.7
144.11546	0.7
145.02922	0.9
147.08134	1.8
148.92577	0.7
149.09679	1.6
163.11296	3.0
187.11275	3.2
236.93811	0.7
265.12399	0.9
280.14606	1.0
306.35040	0.6
309.22244	2.1
322.19357	0.7
337.21732	100.0
338.22058	16.5
371.11749	1.3
374.49594	0.8
415.10605	2.0
415.23160	12.6
416.23380	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37610	1.2
55.01876	2.4
57.03435	4.0
58.00587	4.7
59.01384	100.0
60.01718	1.7
61.98841	1.7
68.48484	1.1
69.03463	3.1
69.48495	9.7
70.13425	1.3
71.01388	78.2
71.47414	1.4
72.99313	7.8
73.02963	8.1
75.00885	3.3
81.03455	1.3
83.01382	7.9
85.02951	16.6
87.00880	11.0
89.02451	88.8
90.02752	1.7
95.01393	7.5
97.02954	7.7
98.19901	2.4
99.00868	4.4
101.02453	66.1
109.02904	2.2
111.00868	2.9
113.02454	32.1
119.03515	28.4
121.02937	2.8
125.02450	16.4
131.03482	4.0
133.02971	17.7
134.03746	7.2
135.04539	19.0
137.02443	5.6
139.03981	3.1
141.01967	2.3
143.03508	12.5
149.02454	1.5
149.04648	3.3
161.02472	24.6
161.04506	11.5
165.98804	1.8
179.03508	5.6
179.05624	26.6
181.04927	1.5
185.04454	1.4
198.32684	1.3
221.06689	8.3
235.08221	15.1
253.09224	6.1
263.07651	5.4
287.07700	2.1
305.08786	2.8
325.78183	1.3
347.25937	18.4
348.26208	3.3
356.19202	1.4
371.26074	2.4
415.08929	2.6
415.14642	88.2
415.24872	98.2
416.15005	11.1
416.25339	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	415.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68322	0.9
54.34651	1.0
55.01872	3.5
57.03432	3.0
57.19793	0.9
58.00607	6.3
59.01384	99.7
60.01710	1.7
64.36604	1.0
69.03453	2.9
69.35113	7.1
69.35518	2.5
71.01389	80.2
72.01736	1.2
72.99313	7.5
73.02954	10.5
75.00868	2.0
81.03457	2.6
83.01400	8.1
85.02962	16.1
87.00879	17.3
87.01362	1.7
89.02454	93.3
90.02770	2.5
95.01384	4.9
97.02952	11.3
99.00872	4.1
101.02454	69.3
102.02806	2.2
103.00365	1.3
109.02913	1.7
112.25388	1.2
113.01688	1.9
113.02460	27.8
114.02770	1.9
119.03512	29.8
125.02457	17.4
131.03500	3.4
133.96994	1.2
141.01953	1.2
143.03516	13.9
149.04562	3.4
161.04543	13.9
167.03488	1.4
179.05612	31.9
185.04596	2.6
221.06679	6.6
235.08234	15.6
253.09200	7.5
263.07761	5.7
287.07700	2.6
293.72543	1.1
305.08844	2.8
415.14612	100.0
416.15012	13.3
418.99301	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61764	1.0
55.01881	1.9
56.17335	1.2
57.03456	2.2
57.34986	1.1
58.00584	4.1
59.01383	96.5
60.01709	2.2
62.59848	1.2
67.93981	1.1
68.35923	1.0
68.99822	1.5
69.03454	3.1
70.54884	1.0
71.01387	80.4
72.99297	6.9
73.02937	8.7
75.00884	3.0
81.03458	3.8
83.01399	7.4
85.02950	16.6
87.00877	15.9
89.02448	91.2
91.03998	1.5
95.01393	4.0
97.02962	8.2
98.19865	3.0
98.20551	4.3
99.00868	4.3
101.02448	69.2
102.02794	1.8
108.08160	1.0
109.02988	2.2
111.00901	1.8
113.02461	27.4
115.03986	1.5
119.03507	27.4
121.02936	2.6
125.02451	15.6
131.03531	4.7
143.03523	11.9
149.04558	3.5
161.04572	12.3
179.05624	26.2
185.04482	2.6
221.06709	6.7
229.12143	1.5
235.08249	13.5
253.09262	9.3
254.09686	1.4
263.07724	5.6
287.07849	2.8
305.08688	2.8
323.09933	1.3
398.40274	1.4
415.14566	100.0
416.14850	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61797	1.4
53.70564	1.5
55.01878	2.0
57.03441	3.9
58.00591	4.2
59.01382	98.5
61.98822	1.9
69.03459	4.0
71.01387	86.1
71.19176	3.9
72.99323	7.9
73.02954	10.9
75.00871	5.1
76.22762	1.5
81.03464	3.2
81.90752	1.4
83.01393	10.0
85.02959	17.7
87.00875	15.8
89.02448	91.8
95.01379	4.8
97.02947	10.5
97.67439	1.4
98.88265	1.5
99.00872	3.8
101.02446	75.3
102.02798	1.9
109.02920	3.1
112.41192	1.6
113.02451	28.8
119.03508	25.5
125.02454	18.2
128.01924	1.6
128.11212	1.7
131.03520	2.8
143.03494	9.2
149.04544	5.2
161.04573	13.4
165.76013	2.2
179.05624	24.9
221.06641	7.6
233.06886	1.6
235.08229	12.1
238.06450	1.7
253.09282	10.7
263.07657	6.2
287.07761	1.9
305.08783	3.1
394.80725	1.8
415.14581	100.0
415.20337	3.8
416.15024	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	415.067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28348	1.2
59.01384	8.0
61.98838	1.5
71.01386	7.0
71.59845	2.0
72.99313	50.2
73.99642	1.2
74.22035	1.0
75.00877	27.5
78.80496	1.2
83.01357	1.7
86.94044	1.4
89.02476	7.0
101.02450	3.7
109.02961	100.0
110.03296	5.2
113.02478	2.4
117.00468	1.3
118.99842	2.7
119.03539	2.0
119.05042	2.2
121.02963	4.1
123.04460	1.2
125.02380	1.2
135.04520	3.3
144.94508	1.4
145.02954	4.5
146.07045	1.1
147.04535	4.1
149.06078	1.7
154.37961	1.5
159.04526	21.9
160.04852	1.5
161.02444	5.1
169.00072	1.7
173.02423	3.6
173.06021	3.9
175.04001	6.8
177.01936	3.3
177.05531	1.7
179.05594	2.0
185.02473	10.5
186.03175	2.8
187.04030	1.9
188.17749	1.3
199.04042	1.6
203.03482	5.2
204.59505	1.3
211.01041	1.8
217.05035	15.3
218.05345	1.6
225.05556	2.4
241.00568	2.3
243.06537	1.8
251.07004	1.3
253.04999	4.6
254.05664	1.6
267.06583	3.4
269.08218	13.3
277.04913	2.2
279.02905	1.4
293.00128	2.9
293.04602	1.6
295.06116	52.8
296.06427	9.3
297.03949	2.8
300.99048	1.4
309.07886	2.0
313.07132	2.1
321.04025	2.4
327.08633	5.5
336.99158	1.3
355.99817	1.3
394.93051	1.3
415.14664	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	415.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.8
69.46392	3.8
69.46800	1.4
71.01364	1.3
71.78196	0.6
72.99323	0.8
73.02960	0.8
75.00451	1.1
75.00879	22.2
89.02458	1.6
93.03485	1.6
101.02425	0.8
108.02168	2.3
109.02960	55.6
110.03271	2.1
117.03486	1.5
119.05014	2.1
121.02969	6.2
123.04522	0.8
128.30847	0.6
129.03522	3.4
130.04285	0.8
131.05055	1.4
133.03004	1.0
135.04507	0.7
137.02432	1.1
145.01845	1.2
145.02962	13.9
146.03806	3.5
147.04535	26.4
148.04887	1.3
157.02962	10.1
158.03706	2.7
159.04523	27.6
160.04869	1.9
161.02426	1.7
161.06148	0.9
163.03989	1.9
173.02457	4.2
173.06079	0.7
174.03262	1.3
175.04028	7.1
185.02472	8.6
186.03120	2.8
187.03963	2.0
191.03523	1.6
193.06534	2.3
196.05269	0.9
197.06128	1.2
201.01900	2.6
203.03477	6.5
203.04942	0.6
209.06046	1.1
210.06868	1.1
211.07607	2.3
217.05043	1.8
220.05290	2.1
221.06042	4.0
222.06769	2.0
223.04044	0.7
223.07738	1.2
224.04820	2.2
225.05540	2.5
229.01413	44.5
230.01836	4.7
237.05635	1.5
238.06335	2.5
239.07205	5.2
248.04784	2.5
249.05614	11.5
250.06194	6.2
251.07112	3.2
253.05092	2.9
261.03922	3.2
265.05035	3.8
266.05743	5.4
267.06607	27.9
268.07083	3.9
269.05188	1.4
269.08197	18.8
270.08475	1.0
276.04245	3.1
277.05066	19.0
278.05768	4.9
280.03720	1.5
288.76428	0.7
293.04672	6.9
294.05316	4.7
295.06122	55.5
296.06479	6.7
311.05643	0.8
313.07187	5.1
321.03860	0.7
327.08810	1.1
339.05096	100.0
340.05426	12.3
357.06223	3.5
371.07651	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01718	1.4
67.46441	1.0
70.18412	4.1
76.67843	1.1
79.09097	1.1
84.53924	1.1
111.08183	1.5
139.04048	3.1
145.84660	1.1
153.05563	3.8
159.25928	1.3
187.09738	1.2
254.79102	1.1
413.21973	1.7
413.27026	16.4
414.27307	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	413.291
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55807	2.6
59.01386	100.0
60.01723	3.4
61.98830	3.2
63.57456	2.5
64.67078	3.3
71.61190	4.0
127.26179	3.2
207.25177	2.9
218.06520	3.8
247.65994	3.2
275.21613	3.1
359.67218	3.1
363.07510	3.5
425.89404	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	415.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58437	1.1
61.00278	1.2
66.18403	1.1
69.77270	7.0
70.32918	1.2
75.00881	13.7
77.62154	1.3
98.59148	1.2
101.02423	1.1
108.02131	1.6
109.02955	100.0
109.89184	1.1
110.03299	3.4
115.23997	1.2
121.02951	4.5
145.02950	2.6
147.04491	4.3
158.03725	2.6
159.04523	23.6
160.04822	1.9
161.02553	1.2
171.04489	1.2
173.02425	2.5
173.06050	1.9
175.03957	7.2
185.02458	7.6
186.03094	1.7
187.03868	1.5
203.03444	6.1
217.04991	5.9
221.79620	1.3
225.05647	1.3
229.01410	3.1
253.04967	3.0
254.05765	1.4
267.06653	3.4
269.08133	5.6
277.05219	2.1
278.05438	1.4
291.42062	1.4
295.06125	63.8
296.06485	10.2
313.07178	1.3
327.08377	1.9
339.04987	4.2
371.07843	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35843	63.6
59.01364	100.0
61.08582	66.8
61.98839	73.2
69.99500	67.0
71.60917	95.0
73.65852	60.7
86.02098	58.3
116.35265	66.5
118.07644	68.1
173.40843	57.8
339.18164	76.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2697
Annotation	bis-Norstriatol
Peak:m/z	Relative Intensity
55.01859	0.9
68.22925	0.6
71.02586	1.6
73.02944	0.8
79.01903	2.6
79.36707	0.7
85.06596	6.4
87.59367	0.7
88.07143	0.7
97.02948	2.1
107.05066	1.6
109.06614	7.2
111.04528	6.3
135.04512	3.4
136.67509	0.7
139.16733	0.6
149.06087	1.2
151.03984	1.4
153.05582	23.5
154.05928	0.9
179.03502	2.6
180.04271	2.1
194.05771	2.0
207.06496	1.0
225.29422	0.6
228.32841	0.6
263.12952	0.6
301.21725	1.0
305.17859	0.7
367.26379	0.8
369.27972	11.8
370.28122	2.9
413.26968	100.0
414.27328	17.9
414.31387	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.5
59.01382	100.0
60.01725	1.1
69.49660	2.8
69.50052	0.7
71.01386	4.4
72.99276	0.3
73.02960	1.3
73.47760	0.3
75.00873	0.7
77.20651	0.3
83.01406	0.8
85.02956	2.5
89.02469	1.3
92.21778	0.5
94.86205	0.3
95.01434	0.5
99.00915	0.4
101.02446	3.2
113.02441	1.9
138.56004	0.4
161.04584	1.3
209.15433	0.8
353.19800	1.0
371.20758	3.5
372.21057	0.8
413.22159	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01721	1.5
60.23263	0.3
69.40653	3.1
71.01389	5.6
73.02956	4.3
75.00877	1.4
83.01405	1.3
85.02964	1.9
86.18781	0.5
87.00887	0.4
89.02462	1.5
101.02451	4.4
113.02460	2.0
119.03520	0.8
147.11850	0.8
161.04601	1.5
165.19409	0.4
191.10852	0.8
371.20990	0.9
413.22366	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	413.2183
Annotation	Tentoxin
Peak:m/z	Relative Intensity
55.41051	0.8
55.87760	0.9
57.03456	15.0
59.01097	1.1
59.01384	19.4
70.37965	3.5
71.01372	1.1
72.99323	1.2
85.06593	1.0
89.02441	1.6
91.04011	3.3
115.09448	0.8
148.98732	0.9
175.47577	0.9
181.15996	2.4
191.14334	1.4
193.15965	6.8
205.15959	2.1
207.17545	7.1
208.17917	1.2
209.15454	2.3
209.19135	17.5
210.19434	1.5
211.16983	1.1
221.19247	1.8
223.20708	1.2
225.18619	9.3
226.19000	1.1
231.17554	3.0
233.19130	4.6
235.17072	3.4
249.18648	9.4
250.18929	1.2
251.20180	43.1
252.20482	5.0
253.18098	13.6
267.19684	4.3
271.19232	6.4
272.19705	0.9
277.18027	3.0
279.15942	4.1
293.17529	4.0
295.19162	39.6
296.19547	4.9
321.17078	6.7
338.33188	1.1
339.18118	100.0
340.18457	12.4
369.22681	1.1
413.21820	77.8
414.22119	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	413.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88613	0.5
58.00599	0.7
59.01384	100.0
60.01729	1.1
60.11933	0.5
67.45364	0.5
71.01386	4.8
71.61031	0.9
72.99314	0.8
73.02943	3.8
75.00864	3.6
83.01396	0.7
85.02970	1.2
89.02451	3.0
96.96032	0.8
101.02446	4.5
113.02474	2.7
119.03542	0.9
119.05045	0.6
128.88004	0.6
137.02438	1.0
141.75371	0.6
145.02901	0.7
147.04578	0.7
163.04042	0.6
165.12773	0.6
169.37645	0.7
371.20901	1.0
413.17007	2.2
413.22000	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	413.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	17.0
59.01384	20.3
66.24844	0.5
69.03462	1.1
71.01385	1.7
71.05023	0.9
72.99293	0.6
73.02921	0.7
75.00893	0.9
83.01397	1.0
83.05013	0.7
89.02440	2.2
91.04016	2.6
99.08124	1.4
102.95146	0.6
110.43884	0.5
113.09747	0.8
134.43533	0.7
161.16541	0.5
181.15981	1.4
191.14357	1.4
193.15979	8.2
197.19145	0.8
205.15967	2.3
207.17540	7.7
208.17867	0.6
209.15594	3.2
209.19112	17.4
210.19441	1.5
211.17078	1.1
221.19057	1.8
223.20686	1.8
225.18590	11.6
226.18906	1.0
231.17567	2.2
233.19118	4.6
234.19452	0.6
235.17101	3.5
237.15048	0.9
249.18604	10.6
250.18924	1.1
251.20166	42.4
252.20517	4.8
253.18082	14.8
254.18446	1.4
267.19687	4.7
271.19141	7.6
277.18109	3.0
279.16064	5.3
293.17599	4.2
295.19150	41.3
296.19476	4.4
303.15857	0.8
321.17023	7.1
322.17450	1.2
339.18127	100.0
340.18491	13.4
347.79993	0.8
369.22827	1.5
413.21832	74.8
414.22144	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	413.145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.7
57.43618	0.6
58.00601	1.1
59.01382	29.0
59.25229	0.5
69.03461	1.6
69.94539	3.0
71.01385	31.2
72.99318	1.7
73.02951	3.9
75.00875	62.1
81.03455	2.0
83.01380	1.8
85.02937	4.1
87.00880	1.0
89.02451	34.7
93.03466	1.4
95.01393	1.4
97.02951	3.9
98.19890	1.2
99.00883	2.1
101.02435	6.6
106.21321	0.5
108.02129	0.7
109.02957	4.8
110.68781	0.7
113.02456	3.6
115.04000	1.3
117.01944	7.6
119.05033	100.0
120.05386	5.9
121.02962	1.4
125.02447	11.3
126.02693	0.7
131.03503	7.2
133.02933	0.8
134.03745	3.9
135.04506	2.6
136.01660	11.4
137.02435	2.5
143.03500	1.3
145.02988	0.9
149.04581	6.7
151.04030	1.5
161.04608	0.7
163.81853	0.6
177.01949	0.8
179.03505	2.3
180.04315	0.8
191.05559	2.9
200.02989	0.6
233.06401	4.9
259.53116	0.5
293.08670	7.8
295.11874	0.8
311.11438	4.1
321.09888	1.2
339.10788	1.7
351.10852	2.6
369.11752	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43349	0.6
66.58205	0.5
69.03453	2.4
70.89606	0.7
70.89920	0.8
71.01389	2.2
72.99321	0.8
75.00879	2.8
75.70340	0.6
97.02940	3.3
101.67909	0.6
102.82439	0.5
108.02171	0.8
109.02961	52.6
110.03311	1.6
111.64164	0.5
113.34681	0.6
133.02975	1.2
134.03746	1.7
135.04535	95.2
136.04843	6.2
137.06143	0.7
143.05038	6.9
145.02980	0.9
146.03790	3.4
146.63327	0.6
147.04520	1.2
148.05289	2.9
149.06090	57.5
150.06427	2.4
151.04031	4.0
159.04550	2.5
160.05315	0.8
161.02383	1.2
161.06094	35.5
162.06491	2.3
163.03979	1.4
163.07681	6.4
165.05585	5.1
171.04558	7.7
172.05205	0.8
174.03242	13.7
175.03960	0.7
177.05617	1.5
179.03522	5.0
187.04021	0.9
188.04799	2.5
189.05589	86.8
190.05952	7.6
191.03502	4.6
207.06641	100.0
208.06978	8.2
209.04509	0.7
233.04526	1.0
251.05548	3.2
271.08249	5.9
297.09857	8.9
298.10013	1.2
311.11371	6.4
341.08777	1.0
351.10980	1.8
353.08801	0.7
369.11954	13.6
370.12173	1.4
413.10895	16.5
414.11206	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1098
Annotation	Asperuloside
Peak:m/z	Relative Intensity
56.68207	0.8
59.01379	3.4
61.98832	3.4
69.03459	1.0
71.01398	1.3
72.99316	1.5
75.00886	6.4
78.95890	4.3
81.32584	0.7
86.42741	0.9
89.02445	0.9
96.96013	9.9
96.96945	4.2
97.02956	1.8
98.02502	1.5
109.02962	18.1
109.75021	0.9
111.56454	0.8
119.05018	2.2
121.02938	1.1
123.04488	0.9
133.01569	1.5
133.06563	1.6
135.04533	27.1
136.04910	1.2
137.02461	1.0
143.05014	7.7
145.02965	2.6
145.06581	1.3
146.03688	2.3
147.04526	3.3
148.05258	1.2
149.06075	14.3
150.04230	2.7
151.04012	1.3
153.01947	6.3
159.04546	2.2
160.05341	1.3
161.02458	1.8
161.06082	16.9
162.03185	1.1
162.06375	0.9
163.03998	9.2
163.07666	1.6
164.04578	1.0
164.98694	1.9
165.05548	3.7
165.38853	0.9
170.90369	1.0
171.04521	13.1
173.02443	3.5
174.03242	7.3
177.05592	2.4
179.03470	2.2
179.97479	0.9
187.04008	2.0
188.04819	3.3
189.05583	98.6
190.02866	1.6
190.05977	5.9
191.03505	20.9
192.03880	1.4
196.97775	1.6
205.05066	14.7
206.05484	0.9
206.99797	1.9
207.03140	1.2
207.06630	27.9
208.07016	2.0
208.97676	1.2
209.04573	1.8
211.04645	1.4
233.04539	1.6
238.98764	0.9
250.98717	7.5
251.05620	100.0
252.05911	8.0
271.08252	1.6
279.03000	1.0
282.08383	1.1
283.61304	0.9
297.09833	2.4
311.11539	1.2
315.10947	3.0
353.02060	1.2
369.03714	1.7
369.11844	3.1
369.18924	1.1
377.05853	1.2
395.06628	1.5
413.10895	69.3
414.11227	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	412.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.4
61.98836	100.0
62.20324	0.6
95.45618	0.6
119.05053	1.3
146.31833	0.6
163.49782	0.7
174.36293	0.6
194.98537	0.6
195.40407	0.6
210.93863	0.6
227.48248	0.8
229.06236	1.2
257.51593	0.6
328.36288	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68048	0.5
51.91013	0.5
59.01382	16.5
61.98835	100.0
70.56996	1.7
71.01385	3.5
73.02957	1.5
75.00876	3.0
85.02959	1.1
89.02467	1.8
97.02935	0.5
98.65499	0.5
101.02451	2.9
106.53798	0.5
113.02491	0.8
119.03530	0.7
119.05045	1.1
128.58920	0.6
135.08319	0.6
145.03084	0.6
161.02570	0.7
171.39209	0.6
251.16589	1.6
289.61536	0.6
349.11987	0.7
413.21332	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	411.239
Annotation	Conyzanol A
Peak:m/z	Relative Intensity
57.03446	2.7
59.01384	8.0
59.02036	0.4
61.98834	0.6
63.68043	0.4
69.49008	1.0
69.49408	2.9
71.01373	0.4
72.92773	0.4
73.02934	0.5
75.00810	0.4
83.01395	5.2
83.05025	0.5
88.61389	0.4
89.02447	0.7
89.03621	0.5
91.04008	1.8
98.19908	0.9
98.20563	0.9
108.97941	0.4
131.59978	0.4
207.17612	0.7
209.19109	35.9
210.19415	3.4
223.17032	1.5
231.21176	1.5
233.19130	4.8
235.16806	0.5
249.22232	5.2
250.22626	0.5
251.20171	65.4
252.20493	7.9
253.18073	3.8
254.18373	0.6
265.21774	2.7
266.22134	0.8
269.21222	10.3
270.21613	0.9
275.20154	22.7
276.20453	3.3
280.10684	0.4
293.21240	44.9
294.21570	5.9
303.17123	0.4
319.19214	1.8
325.23816	0.6
337.20206	27.7
338.20505	3.5
367.24930	3.9
368.25076	0.6
394.42325	0.4
411.23877	100.0
412.24243	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	411.239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02574	0.5
57.03453	2.8
59.01382	10.3
61.98855	0.6
71.01379	0.4
71.02189	1.2
83.01399	5.8
85.91972	0.4
89.02451	0.5
91.04025	0.7
129.25526	0.4
135.04546	0.6
153.98888	0.5
174.47029	0.4
207.17543	0.7
209.19115	37.5
210.19466	3.5
223.17061	1.0
231.17471	0.5
231.21236	1.6
233.19093	4.0
235.17049	1.0
242.86209	0.4
249.22186	6.5
250.22661	0.5
251.20168	68.1
252.20503	7.8
253.18030	3.3
265.21704	3.2
269.21231	10.5
270.21536	1.5
275.20157	22.2
276.20541	3.7
293.21234	45.4
294.21530	5.9
319.19098	2.5
325.23953	1.4
337.20218	26.7
338.20609	4.2
367.24939	4.3
368.25320	0.5
411.23889	100.0
412.24252	16.3
412.29907	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22525	1.3
59.01382	100.0
60.04479	1.2
61.67468	1.3
70.09834	1.3
70.10095	6.0
110.06472	1.4
125.02444	1.4
163.22098	1.2
170.11934	1.2
186.45811	1.3
281.85324	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01102	5.2
59.01385	100.0
62.10088	3.3
70.77088	9.2
78.95896	5.7
99.92583	3.4
101.53973	3.4
133.25795	4.1
172.03566	3.4
209.36464	3.8
257.66187	3.6
314.31146	3.7
412.14188	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	411.203
Annotation	3beta-Acetoxy-14-n-butyryloxy-10-deoxyfloridanolide
Peak:m/z	Relative Intensity
53.18617	0.4
56.49479	0.5
57.03456	1.1
58.00598	1.0
59.01383	100.0
60.01719	1.6
69.03480	0.5
71.01385	13.9
72.01704	0.6
72.56606	0.6
72.90583	0.5
73.02953	9.9
75.00874	8.1
79.27083	0.5
83.01396	2.9
85.02982	2.4
85.06603	0.9
87.00886	0.9
89.02442	6.6
95.01405	0.9
98.20631	1.2
101.02453	10.8
109.02960	1.0
113.02449	5.9
119.03513	2.3
119.05017	0.8
121.03029	0.7
125.02467	1.2
126.23918	0.6
131.03520	0.9
133.02992	1.4
134.06137	0.7
135.04529	1.7
136.07657	0.6
143.03514	0.7
145.09865	1.7
159.04581	1.0
161.02449	4.4
161.04576	1.5
162.05669	0.7
163.04019	0.6
179.03534	0.9
179.05722	0.7
184.91800	0.5
203.03520	1.9
207.10303	2.2
207.13957	1.3
351.18173	2.8
362.18890	1.0
369.19321	2.1
411.20319	3.4
411.28622	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	13.7
58.03781	0.3
59.01376	3.0
59.83387	0.2
65.00333	6.5
69.34271	2.2
75.00847	0.5
81.03466	2.6
83.01393	8.1
89.02444	0.3
93.03519	0.3
95.05070	0.4
98.20580	0.6
113.02467	0.6
125.02451	100.0
126.02798	4.2
155.07011	0.3
161.02475	0.6
164.57553	0.3
167.14421	2.7
168.14711	0.3
168.32167	0.3
176.61156	0.3
186.86743	0.3
191.14441	3.2
207.17590	0.6
209.15469	3.9
211.13380	1.1
227.03404	0.3
227.16527	5.5
228.16861	0.5
229.14423	0.5
231.17574	1.7
233.15526	0.9
241.05035	0.4
249.18556	1.0
251.16487	3.1
269.04578	0.8
269.17505	0.7
270.05325	1.4
275.13788	0.2
275.16501	5.1
276.16815	0.3
293.17593	9.9
294.17883	0.8
295.15506	0.5
315.06784	0.3
319.15591	0.5
327.18204	0.4
337.16559	2.2
367.21371	2.9
368.21335	0.4
369.19046	0.6
411.20239	29.8
412.20648	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	411.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	14.0
58.03792	0.4
59.01391	2.6
60.87812	0.3
65.00329	6.5
67.59272	0.3
69.59658	1.8
71.01383	0.3
75.00866	0.5
81.03459	2.9
83.01395	7.0
84.45506	0.3
91.04057	0.3
96.96049	0.4
121.02952	0.3
122.03854	0.2
124.29946	0.2
125.02455	100.0
126.02778	3.6
152.40637	0.3
161.02451	1.1
167.14445	2.2
183.96526	0.2
191.14423	3.7
192.14732	0.3
197.06027	0.4
207.17511	0.7
209.15463	3.2
211.13477	1.3
227.16553	5.0
228.16916	0.4
229.14493	0.8
231.17519	1.7
233.15427	0.9
233.59428	0.3
241.05095	1.0
242.05823	0.4
249.18594	0.8
251.16539	3.1
252.16724	0.4
269.04584	1.4
269.17587	0.6
270.05328	1.6
275.16525	4.8
276.16910	0.5
283.19336	0.3
293.17606	10.6
294.17935	1.6
295.15530	0.3
319.15814	0.3
325.20224	0.5
337.16544	2.0
367.11887	1.1
367.21317	2.8
368.21423	0.4
369.19046	0.4
407.39276	0.3
411.20236	30.2
412.20605	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	409.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38287	54.0
59.01394	100.0
75.92019	54.0
92.12119	49.9
138.82692	55.0
152.77649	61.4
212.86299	54.8
288.28769	56.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.7
61.98825	4.1
70.36624	4.1
73.73035	1.8
82.11256	1.6
98.73602	2.2
102.54651	1.9
122.82149	1.8
157.35582	2.1
195.13965	2.7
205.16066	2.1
261.18539	2.4
279.17120	3.9
283.16797	2.5
323.19931	100.0
324.20206	11.5
325.17816	16.4
367.18927	33.7
368.19116	5.4
369.16843	3.9
411.17825	76.1
412.18158	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43794	2.2
59.01097	5.2
59.01386	100.0
61.98833	6.1
68.04476	2.3
71.01389	6.5
71.61230	4.0
73.02934	2.5
74.95509	2.5
75.00883	18.6
85.02968	4.7
89.02441	3.9
97.76151	2.7
99.00946	3.3
101.02477	4.7
109.02942	6.3
113.02451	4.2
135.04515	6.5
143.05077	3.0
143.47844	2.7
145.02951	5.7
149.04552	2.7
158.03688	4.4
159.04480	2.5
160.05296	5.9
187.04060	5.0
191.03664	3.1
202.06294	3.6
205.08727	3.0
215.06999	4.2
229.14433	3.1
242.71088	2.8
247.06126	4.1
247.09653	3.5
288.73102	3.0
289.07166	22.3
289.10483	5.6
352.27966	3.5
409.11401	4.7
409.20746	2.6
409.27338	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	409.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65049	0.6
57.03444	0.8
59.01382	100.0
60.01718	2.1
61.98833	2.2
69.03446	0.8
71.01387	7.1
72.99316	1.0
73.02960	3.1
75.00877	7.8
83.01416	2.4
85.02940	4.3
86.47401	0.7
89.02475	1.6
93.03479	1.4
98.20633	1.6
99.00898	1.3
101.02446	6.5
107.02947	0.7
107.05013	0.9
109.02988	4.0
111.00890	0.6
113.02462	3.6
117.91332	0.6
119.03542	0.7
119.05024	4.2
121.02952	0.8
125.02476	1.1
135.04527	3.4
136.56740	0.7
143.03513	0.7
145.03021	2.1
147.04547	0.9
149.06096	1.2
159.04485	1.5
161.02493	1.6
161.04565	3.2
163.04100	1.8
169.38448	0.8
170.92821	0.6
173.06044	0.6
175.04022	0.6
177.05447	1.0
191.03621	1.0
205.04996	0.8
205.08774	1.2
205.12202	0.7
211.07507	0.7
217.12422	1.2
231.10245	0.8
245.11877	1.3
263.14993	6.2
264.15366	0.9
271.02524	0.7
289.10699	0.7
289.16650	1.4
307.17609	4.6
349.18759	2.6
409.14709	0.9
409.20758	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65957	2.3
58.00594	2.6
58.31847	2.1
59.01380	100.0
61.98827	9.3
64.71899	2.1
71.01385	55.5
71.61252	2.7
72.99296	5.8
73.02953	58.1
75.00888	18.9
83.01385	20.0
85.02953	7.4
89.02441	22.4
93.03458	5.9
101.02448	56.9
102.02789	3.3
109.02959	3.5
111.00903	19.2
113.02475	14.9
119.03485	7.0
119.05022	10.6
125.02404	3.9
131.03506	3.4
135.04512	4.1
143.03510	5.5
146.03737	48.2
147.04033	4.5
159.04500	11.5
160.05276	12.1
161.02493	5.7
161.04567	16.2
161.06067	55.5
162.06351	2.9
163.03963	4.1
172.05328	2.5
187.04071	4.8
187.13342	4.9
204.04202	2.3
205.04990	10.0
247.06161	5.6
264.06281	3.4
349.18658	33.2
350.19055	2.6
354.50647	2.4
365.14514	46.9
409.11374	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	407.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02368	0.5
53.74778	0.4
59.01381	100.0
60.01210	0.4
60.01725	0.5
71.01395	0.9
75.00894	0.9
89.60705	0.5
112.94368	0.5
135.04488	0.5
145.03021	0.8
171.10234	0.5
178.51241	0.4
284.03195	0.6
407.17294	0.5
434.77747	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49634	0.5
59.01385	100.0
60.01720	1.6
61.79991	0.4
61.98832	0.7
64.39130	0.5
66.82170	0.5
69.36937	1.2
69.37341	2.6
71.01405	0.9
75.00881	0.9
79.41877	0.5
121.02952	1.1
135.04597	0.7
145.03021	0.7
166.72266	0.5
187.09779	0.5
241.56296	0.5
258.36896	0.5
268.08286	0.7
285.04227	0.6
315.16205	0.6
320.31625	0.5
341.77658	0.5
364.02411	0.5
407.28027	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02068	0.7
59.01383	5.5
60.43630	0.7
70.78819	2.6
71.01384	2.9
72.46992	0.8
73.02975	0.8
75.00894	4.0
85.02944	0.7
93.03462	2.1
94.15302	0.9
97.06601	3.4
107.05009	1.8
108.02181	16.0
109.02986	6.0
113.02496	1.0
115.66222	0.8
117.03471	1.3
119.05014	4.0
121.02969	12.6
129.03476	1.7
133.02965	1.4
133.33206	0.9
134.03761	4.0
135.04538	31.9
136.04890	1.8
144.32542	0.8
145.02963	6.2
147.04541	13.0
148.05289	3.3
161.02486	1.8
162.03192	1.0
163.04019	26.4
164.04393	1.5
173.02475	5.8
186.79320	0.9
191.03520	100.0
192.04214	19.2
192.22862	0.8
193.04807	1.2
205.05150	1.0
205.08710	3.0
217.08736	1.1
219.12221	0.8
271.09879	1.7
289.10913	8.0
307.11877	1.6
347.12741	1.2
365.13950	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2208
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
59.01383	1.7
64.56514	0.7
67.15926	0.6
71.39599	0.7
78.95910	100.0
81.24673	0.7
96.96012	2.2
96.96974	10.3
98.19912	1.8
103.36240	0.8
107.99280	0.8
127.39309	0.7
132.64275	0.6
141.24336	0.6
150.98045	0.9
152.99600	81.1
153.99976	1.5
171.00653	65.2
172.01054	1.3
255.37494	0.7
325.18393	1.5
327.29233	1.0
407.22226	2.5
414.07828	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24909	1.3
57.03477	1.6
58.00597	1.6
59.01383	100.0
60.01725	2.6
61.98822	2.9
65.99842	1.4
71.01385	19.9
71.61530	2.1
72.99318	5.8
73.02962	6.9
75.00874	15.8
82.02991	12.6
83.01401	2.9
85.02959	6.2
87.00944	2.0
89.02457	13.2
93.03500	1.7
95.01384	2.2
97.02959	1.8
99.00890	2.3
101.02452	16.3
102.22814	1.4
108.02204	2.1
109.02979	3.9
113.02456	6.7
119.03517	7.5
119.05008	2.6
123.04469	3.6
133.02974	2.6
135.04547	4.0
136.42844	1.5
136.99098	1.3
141.09196	5.0
145.02951	4.6
149.02406	2.8
149.06102	1.7
150.03242	5.6
151.03995	5.6
153.01959	2.4
154.20717	1.5
159.04553	4.5
160.07634	2.9
161.02371	2.5
161.04651	3.6
162.04317	1.7
164.03539	8.0
165.05539	5.1
171.10294	10.4
172.07693	1.8
174.05638	1.9
181.05119	2.2
185.08174	1.6
185.11775	1.5
186.05600	2.4
188.07204	2.2
189.03137	1.6
189.06790	1.9
191.04576	3.0
193.04976	2.2
202.08708	4.0
203.09282	9.9
215.04535	1.9
216.05388	5.9
216.06973	3.0
216.10159	2.9
217.02554	4.6
217.06061	7.9
227.12868	5.2
228.06767	2.1
229.06010	8.4
230.03334	2.2
230.06923	4.4
231.07796	15.1
232.08405	3.8
241.06151	3.0
242.03181	3.3
243.04108	26.5
243.07727	3.1
244.04762	12.5
244.09828	13.4
245.04773	2.8
245.09351	6.3
248.09325	3.4
256.04901	8.3
257.05695	17.7
257.08438	2.4
257.09183	2.1
258.06396	8.1
259.07248	46.2
259.10696	4.7
260.07437	3.4
269.09253	4.4
271.07236	24.2
272.07697	2.1
285.08835	6.4
287.10367	73.6
288.08658	4.9
288.10910	4.7
291.09894	12.9
303.06149	1.5
303.09726	2.1
313.08310	97.3
314.08777	9.2
319.12958	2.6
331.05441	3.0
331.09357	57.7
332.09702	5.3
335.08801	2.2
345.11108	7.7
347.17056	6.1
357.07312	2.9
359.11475	5.4
365.18033	2.6
375.08298	18.2
389.09756	4.5
407.10959	50.6
407.19223	48.5
407.24026	1.6
408.11032	7.5
408.19412	7.8
411.63425	1.6
412.47925	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	4.3
59.01370	11.0
61.98821	5.7
69.30858	25.2
71.01368	3.2
74.46855	3.0
75.00868	7.2
83.01413	3.8
96.96000	3.7
101.02413	3.2
109.02962	4.0
124.01646	6.0
135.04483	3.5
137.01424	4.2
137.02437	30.6
163.03880	3.3
167.14418	10.8
191.14433	5.8
211.07666	3.8
231.17494	10.9
233.15428	18.7
243.17589	4.0
245.15353	8.3
259.16977	5.1
261.14679	3.8
263.20029	14.0
265.18002	5.3
269.15384	4.6
270.62515	3.4
275.16605	15.9
287.16473	15.3
289.14371	8.4
301.17920	3.8
303.16071	14.8
304.16702	4.8
305.13892	3.6
307.19168	28.4
313.14487	32.0
314.14899	5.4
319.19046	3.8
331.15521	22.4
335.18634	3.5
346.91559	3.0
347.14932	3.6
357.13406	100.0
358.13727	12.5
363.18069	8.4
375.14481	10.1
407.16922	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96947	1.0
59.01384	100.0
60.01711	2.3
69.35007	4.0
69.35439	6.1
76.06774	0.9
78.42211	1.0
136.42729	1.0
225.22314	1.5
271.22815	8.7
277.21719	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30007	1.4
57.03451	2.2
59.01386	94.1
60.01714	1.6
61.98830	2.6
65.99830	2.1
70.02678	6.4
71.01386	20.8
72.99318	7.2
73.02949	6.7
75.00871	22.8
77.37404	1.4
82.02984	11.1
83.01396	4.6
85.02958	5.8
89.02458	15.1
92.49434	1.8
95.01413	2.1
97.06635	1.5
99.00904	2.0
101.02456	13.6
106.02972	1.7
109.02976	3.7
113.02441	9.0
117.03511	1.8
119.03513	5.0
119.05032	2.0
121.02987	1.8
123.04538	3.0
126.22016	1.4
132.04547	1.9
134.03758	3.0
135.04550	3.4
136.03989	1.8
138.05641	2.1
141.09230	8.4
143.03569	2.3
145.03006	2.4
147.04523	2.6
147.43111	1.3
149.02464	3.1
149.06134	1.8
150.03210	12.0
151.03973	6.5
153.01967	2.9
157.08678	3.0
159.04520	3.1
160.07663	2.3
161.02470	2.2
161.04541	3.4
162.04373	1.8
164.03535	7.8
165.05588	4.4
171.10248	10.3
173.06110	1.4
174.05598	2.9
175.03998	2.0
179.05602	2.4
181.05057	2.0
185.08185	2.7
186.05698	2.2
187.05147	1.8
188.07172	3.4
189.03023	2.0
190.33647	1.7
191.04608	2.3
192.04262	1.5
193.05072	1.9
200.07234	2.5
202.08714	5.1
203.09253	15.7
204.05148	2.2
211.06238	3.3
215.04483	2.6
216.05072	7.7
216.07086	2.5
216.10336	2.7
217.02521	4.3
217.06139	9.8
218.06958	3.7
227.12938	4.8
228.06947	1.8
229.06059	9.6
230.03339	2.9
230.06854	4.9
231.03987	1.9
231.07755	14.2
232.08383	5.7
233.09175	1.6
241.06143	4.2
242.03384	5.9
243.04173	24.5
243.07813	3.4
244.04938	12.6
244.07146	2.1
244.07542	2.1
244.09793	15.0
245.04691	1.8
245.09465	7.0
245.14037	1.7
248.09254	3.0
249.05101	2.1
256.04843	5.6
257.05667	16.0
257.08456	2.5
257.09149	2.2
258.06436	6.6
259.07224	47.0
259.10818	8.0
260.07468	3.7
265.75519	1.4
269.05905	1.3
269.09256	3.5
271.07236	28.8
272.07779	4.2
285.08859	4.7
287.10385	82.3
288.08456	4.5
288.10913	5.5
291.09827	10.5
303.06226	1.8
313.08310	100.0
314.08643	12.7
317.07343	1.9
331.09375	59.8
332.09735	7.1
335.08704	2.8
345.10928	9.7
347.17047	7.2
357.07422	2.5
359.11325	7.2
375.08398	19.9
376.08759	3.3
389.09821	4.5
389.18390	2.3
407.10938	60.6
407.19193	47.9
407.24063	2.8
408.11066	6.0
408.19498	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	405.2281
Annotation	Wikstroemioidin B
Peak:m/z	Relative Intensity
56.16285	0.3
61.98805	0.4
66.03870	0.3
69.34921	2.4
96.45053	0.3
105.03416	0.3
117.03475	1.4
129.74835	0.3
132.02209	0.6
133.02963	21.2
134.03679	1.9
135.04539	7.7
137.02446	1.1
139.04013	0.4
161.02457	100.0
162.02808	6.0
179.03482	2.0
197.19130	0.7
225.18805	0.3
243.19643	10.2
244.19968	0.8
319.22714	0.6
387.21848	2.6
388.22305	0.5
405.22842	40.1
406.23215	6.8
425.68118	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03214	0.3
57.03449	3.2
58.00595	0.9
59.01384	6.2
69.03456	0.5
69.40241	3.0
71.01390	3.2
71.55653	0.3
72.99321	0.5
73.02960	0.9
75.00873	2.2
75.13906	0.4
76.51322	0.3
83.05041	1.8
85.02945	0.7
87.00867	1.0
87.04514	1.4
89.02455	2.1
91.05518	0.5
93.03442	1.2
95.01374	0.4
95.05038	0.8
97.06142	0.3
97.06599	3.9
99.04552	1.9
101.02435	1.4
106.06622	0.7
107.05016	1.0
109.02865	0.4
109.06601	16.6
110.06927	0.8
111.04529	3.1
111.08147	1.5
113.02446	1.2
115.48688	0.3
119.03503	0.8
119.05018	0.5
121.06590	0.6
123.08172	8.1
124.08500	0.3
125.06064	1.1
125.09727	2.7
127.07636	0.8
135.08176	16.3
136.08521	0.9
138.06874	7.9
139.07671	1.2
139.11266	1.3
141.09158	0.8
149.06013	0.5
150.05650	0.5
151.07686	0.8
153.09222	35.7
154.09535	1.5
169.12390	0.4
181.12344	1.1
183.10315	1.9
187.09776	5.2
199.13438	1.4
217.10809	100.0
218.09204	0.6
218.11130	6.9
225.11259	0.6
230.15111	0.3
231.16121	0.5
235.17145	0.4
243.12361	10.7
243.15970	0.5
244.12682	1.2
246.70915	0.3
262.04779	0.4
271.19247	0.6
285.13284	0.4
305.21249	3.6
323.22238	0.6
370.11404	0.9
375.23886	0.4
387.23898	28.2
388.24240	3.8
405.24979	63.7
406.25323	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	405.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40282	0.9
59.01385	100.0
60.80514	1.0
66.86407	1.0
68.05574	1.0
70.63943	3.5
70.64349	1.0
71.01353	1.5
79.44715	0.9
92.45921	1.2
121.02856	1.0
125.02466	3.7
133.75197	1.0
151.42125	1.0
157.40018	1.2
196.41652	1.3
197.19118	1.2
225.18755	2.2
257.66248	1.1
271.19193	14.1
279.16159	1.5
331.15234	1.3
405.18979	2.2
405.23737	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	405.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06919	0.5
53.24450	0.5
55.30085	0.5
59.01382	100.0
60.01717	0.9
61.98826	1.1
67.20709	0.6
70.18702	2.0
70.97647	0.5
75.98151	0.5
91.04017	1.1
104.56677	0.5
109.42239	0.5
150.18361	0.5
180.03952	0.6
185.11339	0.5
244.22685	0.5
249.29927	0.6
271.22937	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	405.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27316	0.8
54.56838	0.7
57.07470	0.8
59.01381	100.0
60.01709	1.1
61.98822	0.8
65.21084	0.7
71.31586	1.0
105.96291	0.8
117.03522	1.4
145.02965	8.0
246.18947	0.9
259.19110	2.1
271.22815	1.7
316.85745	0.8
319.63971	0.8
329.31708	0.8
405.22827	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	405.2131
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
54.73919	0.8
55.01879	1.4
57.03452	0.8
58.00598	2.0
59.01383	53.8
60.83325	0.8
61.30508	0.8
69.87241	2.0
69.87628	1.5
71.01385	47.1
72.99310	2.5
73.02946	2.8
75.00880	4.6
82.20088	0.7
83.01389	2.6
84.17415	0.7
85.02962	6.3
87.00878	1.7
89.02446	26.6
95.01400	2.3
97.03000	0.7
98.20620	1.1
101.02448	17.7
105.44640	0.7
113.02458	10.7
119.03511	10.0
127.11307	1.6
131.03490	1.1
143.03491	1.7
143.92503	0.7
145.02913	1.6
146.03214	0.8
153.12823	3.0
155.14447	1.0
163.04103	0.8
179.05629	2.0
183.13896	0.9
199.13403	5.4
201.14977	8.1
207.13895	1.2
225.14983	2.1
231.16209	0.7
243.15933	1.6
271.15448	0.9
289.16504	1.1
331.17487	0.9
345.19116	6.0
363.20236	13.6
364.20615	1.6
365.22552	0.9
387.20175	1.8
390.64676	0.7
405.21268	100.0
406.16522	1.1
406.21674	14.3
407.82986	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2132
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01883	2.6
57.03441	1.2
58.00588	1.6
59.01384	39.5
60.01719	1.0
60.81492	0.4
61.98829	0.5
69.03462	0.8
71.01387	26.7
71.60921	0.6
72.13005	0.4
72.99291	1.7
73.02956	4.8
75.00879	1.5
83.01395	5.4
85.02954	10.6
85.06581	2.5
86.00124	0.4
87.00868	2.0
89.02453	13.0
95.01387	2.4
97.02946	0.9
97.06594	0.8
99.00892	4.5
101.02452	17.2
109.02971	0.7
111.00857	1.2
111.27911	0.4
113.01693	0.8
113.02460	12.5
118.10360	0.5
119.03514	4.7
119.42201	0.5
125.02466	1.0
126.15335	0.5
143.03485	1.8
145.02934	0.8
153.12889	0.9
155.14426	7.8
156.14626	0.4
159.03014	0.6
161.02518	0.6
161.04556	1.7
179.05595	0.8
181.12303	1.0
181.16019	3.7
192.14308	0.5
199.13402	17.3
200.13737	1.2
225.14967	4.8
243.19678	0.8
287.18341	0.5
383.32056	0.5
387.20221	1.3
388.76556	0.5
405.21262	100.0
406.21594	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	405.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73919	0.8
55.01879	1.4
57.03452	0.8
58.00598	2.0
59.01383	53.8
60.83325	0.8
61.30508	0.8
69.87241	2.0
69.87628	1.5
71.01385	47.1
72.99310	2.5
73.02946	2.8
75.00880	4.6
82.20088	0.7
83.01389	2.6
84.17415	0.7
85.02962	6.3
87.00878	1.7
89.02446	26.6
95.01400	2.3
97.03000	0.7
98.20620	1.1
101.02448	17.7
105.44640	0.7
113.02458	10.7
119.03511	10.0
127.11307	1.6
131.03490	1.1
143.03491	1.7
143.92503	0.7
145.02913	1.6
146.03214	0.8
153.12823	3.0
155.14447	1.0
163.04103	0.8
179.05629	2.0
183.13896	0.9
199.13403	5.4
201.14977	8.1
207.13895	1.2
225.14983	2.1
231.16209	0.7
243.15933	1.6
271.15448	0.9
289.16504	1.1
331.17487	0.9
345.19116	6.0
363.20236	13.6
364.20615	1.6
365.22552	0.9
387.20175	1.8
390.64676	0.7
405.21268	100.0
406.16522	1.1
406.21674	14.3
407.82986	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2131
Annotation	Staphylionoside J
Peak:m/z	Relative Intensity
55.01876	1.9
57.03416	1.7
59.01102	2.4
59.01385	43.4
61.98829	1.5
70.29715	2.1
70.30102	3.3
71.01384	25.3
72.93960	1.0
72.99300	4.0
73.02938	4.6
75.00877	59.7
76.01199	2.2
78.49754	1.1
83.01389	3.0
85.02937	8.5
85.06596	1.9
87.00900	1.8
89.02454	13.8
93.03471	1.2
95.01379	1.7
97.02955	1.2
99.00862	4.3
99.98286	1.4
101.02453	15.2
113.02465	7.9
117.03446	3.4
119.03533	6.1
119.05010	16.2
120.05339	2.7
134.06122	2.3
135.04530	1.4
136.07721	1.7
136.77750	1.2
138.09239	4.2
143.03484	1.2
145.02971	13.3
146.03282	2.1
151.97466	1.1
155.14413	8.3
161.04604	1.4
162.05568	2.8
163.03973	4.6
164.07220	1.1
181.15971	4.1
199.13405	13.2
201.14917	6.4
225.14893	6.3
228.04239	2.7
239.11803	1.3
243.06548	4.0
345.15512	1.4
345.19180	8.2
359.16699	1.5
362.18707	4.4
363.20319	10.6
364.20593	1.9
380.19794	1.4
405.21219	100.0
406.21729	13.7
425.19019	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2131
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
54.91273	0.7
55.01888	8.7
57.03451	6.7
58.00587	2.8
59.01382	60.0
60.01705	0.7
61.98838	1.8
68.71882	0.7
69.03429	1.4
69.56181	5.0
71.01387	69.4
71.05028	1.3
72.01719	1.7
72.99310	3.4
73.02950	25.6
73.50919	0.8
74.03282	0.8
75.00870	2.5
83.01393	19.3
83.31038	0.8
85.02957	33.2
86.03300	0.7
87.00887	3.0
89.02443	17.0
90.02792	0.7
93.23418	0.7
95.01390	4.4
97.02958	2.9
99.00887	10.2
101.02450	100.0
101.06091	3.9
102.02795	2.7
113.02456	27.1
119.03497	4.6
122.06120	1.1
125.02428	1.4
129.01945	1.3
135.08131	0.9
137.09721	1.0
143.03543	4.0
143.04529	1.3
147.08176	2.1
149.09763	0.8
159.03018	4.5
161.04568	29.1
161.09766	1.8
162.04932	0.8
162.06868	1.2
163.11295	27.5
164.11620	2.1
164.69443	0.8
170.09689	0.8
171.10295	1.4
177.70473	0.8
179.05652	1.4
179.10786	2.3
181.12373	2.7
186.12798	0.9
207.13855	0.9
221.68993	0.7
223.13411	2.8
225.11340	0.8
225.14999	3.2
229.13464	6.7
243.16020	29.9
244.16406	2.7
273.12469	2.0
287.14908	0.8
307.07727	0.9
356.23505	0.9
361.02362	0.8
405.21442	45.0
406.21881	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	405.2133
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01883	3.2
57.03447	2.6
57.21476	0.4
58.00601	5.1
58.02993	0.7
59.01385	100.0
60.01717	1.5
61.98841	8.1
68.99847	0.5
70.78793	1.5
71.01389	74.6
72.01723	1.3
72.99324	4.4
73.02950	8.5
74.02475	1.5
75.00874	1.5
76.06252	0.4
83.01389	4.2
85.02958	19.0
86.02489	0.5
86.03300	0.7
87.00880	2.9
87.05641	0.6
89.02453	76.8
90.02780	1.3
95.01393	5.1
97.02971	0.7
99.00886	2.6
99.05629	0.8
101.02454	44.6
101.07236	0.5
102.02775	0.9
103.92224	0.6
111.05690	0.6
113.02461	28.4
114.02808	1.4
119.03515	32.6
120.03848	0.8
125.02453	1.2
126.88224	0.6
127.51989	0.5
128.03549	4.0
129.01912	0.8
129.03879	1.1
131.03517	3.6
139.07661	0.9
143.03514	5.8
143.04651	4.7
144.05028	1.0
149.04549	3.0
153.09247	3.0
159.03014	2.1
161.04573	15.0
161.05861	1.0
162.06975	0.5
163.11325	2.3
179.04366	0.8
179.05682	11.9
183.10231	0.6
194.50494	0.5
204.14119	0.5
210.08968	0.6
225.11328	0.6
229.13475	0.8
243.16016	6.4
244.16339	0.8
254.07884	1.8
255.08150	0.8
272.08920	1.7
273.09183	1.2
306.07629	1.5
307.08020	3.0
405.21454	36.2
406.16806	0.6
406.21585	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	405.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.7
57.03453	10.1
58.00607	4.6
58.02983	1.1
59.01384	100.0
60.01721	1.3
66.03477	0.5
69.49935	4.0
71.01388	61.6
71.05016	0.7
72.01785	0.6
72.99313	4.6
73.02959	2.9
74.02484	1.9
75.00894	1.5
83.01394	3.3
83.05078	0.8
85.02952	13.2
87.00883	3.0
87.05643	0.8
89.02451	73.5
90.02788	1.4
94.23973	0.5
95.01381	3.9
97.02960	0.8
99.00916	1.7
99.05702	1.6
101.02453	38.3
102.02785	0.8
113.02454	24.7
113.03236	1.3
114.93998	0.5
119.03512	32.4
123.08182	1.8
123.87566	0.5
125.02480	0.9
125.06127	2.0
128.03577	4.1
129.03914	1.1
131.03499	3.4
143.03546	4.1
143.04668	4.9
144.04999	1.6
149.04604	2.3
159.03114	0.6
160.00818	0.8
161.04559	10.8
167.10826	3.4
179.05656	8.5
210.08958	0.7
243.16028	10.0
254.08049	1.1
255.08247	0.8
272.09055	1.6
273.09384	1.3
289.07074	0.7
299.96646	0.6
306.07755	1.7
307.07797	3.1
308.07715	0.8
363.16769	0.9
405.21512	30.3
406.17169	1.1
406.21902	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	405.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	16.8
59.01375	1.2
64.62663	0.5
65.00314	0.8
67.41685	0.4
69.46983	3.0
75.70138	0.4
79.82836	0.5
81.03462	49.0
82.03809	1.7
83.01390	5.0
83.05023	0.9
97.06583	0.7
99.18423	0.5
114.82664	0.4
121.06603	0.6
123.04544	1.7
125.02456	100.0
126.02800	4.8
133.06635	0.5
167.14438	1.4
177.12836	0.9
191.14391	0.8
193.15996	6.3
194.16260	0.8
195.13948	3.4
207.17535	2.1
211.17068	2.0
215.18129	0.7
217.15958	6.1
218.16258	0.5
219.39215	0.5
233.19093	3.7
234.19423	0.6
235.17035	16.7
236.17390	1.7
237.15002	1.8
251.20258	0.5
257.19138	3.9
259.16989	3.4
260.17587	0.5
261.14987	2.8
275.20190	2.1
277.18045	2.0
279.16031	49.2
280.16342	4.7
299.20108	2.4
301.18219	2.2
303.16104	1.6
317.21243	1.6
319.19150	3.4
343.19162	7.4
344.19482	1.0
345.17181	0.6
361.20187	13.0
362.20609	2.7
387.18134	14.2
388.18402	2.1
405.19229	17.9
405.24933	1.5
406.19446	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	405.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01913	0.9
57.03469	0.6
58.00626	0.7
59.01383	23.6
61.98868	1.5
65.04015	0.5
66.50329	0.5
71.01388	11.7
71.61356	0.8
72.99339	0.5
73.02956	2.7
75.00874	5.8
81.03495	1.1
83.01407	1.3
85.02964	2.9
87.00912	0.7
87.04545	0.7
89.02452	7.8
93.03516	2.0
94.06640	0.6
95.01463	0.5
95.05080	0.8
97.03046	0.7
99.00925	0.7
101.02455	5.8
108.02222	1.5
109.02959	22.3
110.03374	0.8
113.02448	4.6
117.03474	1.1
119.03518	4.1
120.08209	2.6
121.02973	5.0
123.04509	3.2
123.08234	1.7
125.02505	0.7
125.09772	0.7
133.02991	1.6
135.04599	1.9
136.01654	6.0
137.02454	48.5
137.09792	0.9
138.02832	2.2
139.03949	0.6
139.11305	1.0
145.02956	9.5
145.03941	0.7
146.03755	2.6
147.04568	2.4
149.02449	9.4
150.02994	0.6
151.04050	1.6
152.07228	0.8
153.09265	0.7
158.07169	7.7
158.08235	0.6
159.04559	2.1
161.02449	6.5
161.04602	2.2
163.04076	0.7
163.11322	0.6
164.07230	0.6
165.07256	0.6
167.05077	0.8
173.02458	1.9
174.03259	5.1
175.04016	1.2
179.05675	1.4
180.06731	5.6
181.06630	1.4
181.12408	2.2
183.04543	0.7
183.10295	2.6
187.04028	0.7
187.09810	1.8
193.06604	1.7
195.04491	0.8
196.05283	1.0
197.06102	1.0
199.07703	1.0
199.13486	0.6
201.11302	1.1
202.06172	9.1
206.07144	0.6
208.05331	1.5
209.06070	8.2
209.10283	0.6
211.04153	0.5
211.07632	1.6
212.04808	1.2
213.05573	1.3
217.10789	3.3
219.04578	2.0
220.05476	0.7
221.06068	2.9
223.04204	0.7
223.07486	0.5
224.04805	1.2
225.05562	2.2
225.11284	0.7
226.06329	0.8
227.03499	0.6
227.07170	2.0
235.04033	1.0
236.04839	1.5
237.05592	14.6
238.06281	2.7
239.03587	2.3
239.07079	2.7
240.04327	2.8
241.04984	1.0
243.02997	1.0
243.12427	6.6
243.14841	0.7
243.15965	1.4
246.37398	0.6
247.04057	1.9
248.04791	7.0
249.05511	4.3
250.06172	1.1
252.04378	1.2
253.05052	9.8
254.05827	5.1
255.06622	19.3
256.06982	2.0
263.03415	1.8
264.04279	5.3
265.05066	21.5
266.05637	4.7
267.06601	14.9
268.03976	0.9
268.06903	1.4
276.04239	1.7
277.05057	10.7
278.05692	2.5
279.02939	1.6
279.06030	0.7
280.03793	5.7
281.04428	1.8
281.07053	0.9
282.05267	1.7
283.06134	100.0
284.06461	11.9
285.13370	1.3
293.04504	2.5
294.05292	1.3
295.06128	71.8
296.06470	8.2
304.09344	1.9
373.10437	0.7
377.10037	1.6
387.08621	2.2
387.24057	1.2
390.07516	0.6
405.09720	37.4
405.17276	1.2
405.20346	1.1
405.25491	5.7
406.09952	6.4
406.25458	0.8
424.63965	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	2.0
57.03452	2.1
58.00588	0.7
59.01384	100.0
60.01723	2.5
61.98838	8.4
62.03185	0.5
69.03467	0.8
70.20313	1.3
70.20705	1.2
71.01393	15.0
72.01727	0.6
72.99328	1.5
73.02966	3.6
75.00882	3.6
83.01378	2.9
84.01732	0.7
85.02969	5.7
87.00874	0.7
89.02446	8.8
93.03477	0.7
95.01415	1.2
99.00920	1.8
101.02449	15.1
101.03082	0.9
101.06096	0.7
102.02810	2.6
109.03002	0.6
110.83900	0.7
111.08101	0.6
113.02452	6.3
115.72131	0.6
119.03529	3.2
123.08184	0.8
140.07187	33.6
141.07527	1.8
143.03546	1.1
143.04611	1.1
145.02930	0.8
153.09215	0.8
161.04590	4.2
162.04945	1.2
163.11360	1.2
179.05621	0.9
228.32492	0.6
241.14497	1.6
242.14847	2.9
243.16092	1.6
271.83240	0.7
306.08090	0.8
317.10413	1.3
363.16959	0.7
404.20151	6.5
405.17163	8.9
405.22324	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2491
Annotation	plakortolide S
Peak:m/z	Relative Intensity
59.01373	0.4
59.20274	0.3
59.97346	0.2
61.52995	0.2
61.98833	0.7
62.54279	0.2
69.39879	1.4
69.40305	1.0
90.50021	0.3
100.90766	0.2
117.03478	17.7
118.03799	0.9
119.05034	6.3
120.05398	0.3
121.02974	1.1
123.04608	0.3
125.02473	0.6
127.04058	0.3
145.02965	100.0
146.03311	5.8
146.11200	0.3
163.04042	4.2
202.62299	0.3
211.20691	0.5
245.19058	0.3
257.21243	8.4
258.21664	0.6
291.19772	0.3
317.24820	0.6
385.23975	0.8
403.24905	22.1
404.25226	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
70.31680	1.2
139.66974	0.4
161.17546	0.3
166.97601	0.5
168.99097	0.4
212.98160	0.6
230.99191	1.1
284.49820	0.4
330.48203	0.4
384.80457	0.4
405.04828	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.6
56.22109	0.8
57.03446	2.3
58.00603	4.3
58.02983	7.1
59.01385	100.0
61.98843	10.2
66.03484	1.3
69.18069	0.8
70.09723	3.1
71.01389	67.6
72.99330	4.9
72.99683	1.0
73.02957	6.8
74.02484	14.2
75.00863	3.3
81.04617	0.9
82.02970	1.7
82.57888	1.0
83.01392	6.6
85.02962	17.8
86.02474	5.0
86.99099	1.8
87.00892	4.2
87.05605	4.5
89.02451	75.7
90.00206	1.3
95.01385	3.4
97.02956	1.7
97.04082	2.1
99.00911	2.4
99.05650	13.1
101.02449	47.9
101.07217	2.9
102.05627	2.2
109.04115	1.3
111.05669	0.9
112.04053	2.1
113.02456	29.3
113.03643	1.3
119.03512	34.5
123.05635	1.1
124.04046	1.4
127.05130	1.9
128.03555	35.3
131.03494	3.4
131.04536	0.9
135.04567	1.7
135.05627	2.9
137.07286	1.0
139.07654	1.0
140.07182	1.6
141.06726	2.8
143.03497	7.7
143.04610	50.8
144.04971	1.5
145.06221	2.7
146.04601	5.1
148.13104	0.9
149.04546	2.8
153.06683	3.1
153.09241	4.3
159.02930	1.5
160.00726	13.9
161.02451	1.1
161.04555	16.5
163.11238	1.3
166.09895	2.3
167.04613	2.8
167.08321	1.1
171.07814	1.0
177.03448	4.6
179.04474	4.3
179.05872	12.1
181.06203	1.4
185.05698	1.3
197.05675	1.8
198.08794	1.6
205.18851	0.9
210.08920	8.9
213.03181	0.8
231.04369	1.0
237.22829	1.1
242.07959	1.3
243.06682	0.9
243.16006	6.2
254.07857	16.6
272.08878	25.2
273.09146	1.7
288.06644	5.7
306.07651	58.5
307.08017	4.4
405.21509	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	403.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01795	0.3
61.98820	0.6
67.02547	0.3
71.45470	0.4
85.51420	0.3
117.03473	16.9
118.03813	0.8
119.05031	6.7
121.02934	1.4
123.04527	0.7
125.02467	0.7
145.02959	100.0
146.03294	4.9
163.04010	4.0
204.63777	0.3
211.20630	0.8
257.21216	7.4
258.21503	0.9
281.38693	0.3
282.76074	0.3
317.24841	0.6
327.60281	0.3
371.44580	0.3
385.23819	1.0
403.24875	25.9
404.25180	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	403.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96030	0.7
57.03163	0.6
57.03456	3.2
59.01385	34.0
61.98838	2.8
69.03468	0.7
69.65321	4.2
71.01383	6.6
72.99306	1.0
73.02969	3.6
75.00875	18.5
78.23907	0.6
81.02261	0.6
83.01374	1.2
83.05037	0.9
85.02938	3.0
87.00873	1.6
87.04556	0.8
89.02464	1.7
89.44411	0.5
93.03479	1.2
97.06605	6.5
98.19882	1.3
99.00883	0.6
99.04533	0.8
101.02441	3.8
106.39553	0.6
108.90861	0.6
109.02985	1.2
109.06648	0.7
111.04606	0.8
111.08147	3.4
113.02476	2.5
113.09763	1.9
119.05049	1.5
121.02947	0.8
123.08183	11.1
125.02484	1.0
125.09747	2.4
127.11328	3.4
137.09738	4.4
139.07692	0.7
141.09256	2.0
145.02975	3.2
152.08386	1.6
153.09224	1.7
153.12857	1.4
155.10765	3.8
159.04460	1.1
162.05661	1.4
171.10300	1.0
181.12428	1.3
183.13902	0.7
184.11084	0.8
195.13918	0.8
197.09760	0.7
199.04051	1.1
199.09988	0.6
199.13435	1.8
201.11337	21.4
202.11673	1.4
241.05168	2.4
241.08755	4.2
242.08244	1.4
251.20024	0.6
261.18625	3.9
264.95001	0.7
265.05093	1.1
270.87292	0.8
272.50391	0.6
277.21835	1.9
279.19815	1.3
293.04623	2.7
294.05652	0.7
307.19223	1.9
317.19720	0.9
323.22287	1.7
325.20068	3.5
341.23367	16.1
342.23822	2.0
343.17627	2.8
343.21249	36.6
344.21524	4.3
351.96494	0.7
361.18710	5.3
362.19016	1.7
385.22281	4.5
386.23062	0.7
403.08408	2.7
403.23511	100.0
404.19373	1.4
404.23917	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	403.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.2
56.63237	1.1
57.03447	6.3
58.00597	2.0
59.01383	75.9
60.01722	1.5
61.98829	9.5
69.03470	3.0
71.01388	40.4
71.61467	1.5
71.61827	2.0
72.99301	3.6
73.02959	10.2
74.34908	1.3
75.00873	27.9
83.01402	6.8
83.05032	1.9
85.02953	15.0
85.06596	1.4
87.00872	6.3
89.02447	6.9
93.03467	2.1
95.01396	5.0
97.06586	7.5
99.00894	3.4
101.02438	20.1
111.08176	4.1
113.02446	12.0
113.09715	3.1
113.45225	1.4
117.03419	1.5
119.03500	1.7
119.05020	3.4
123.08164	15.4
125.02483	3.4
125.09772	2.1
127.11316	2.5
135.04504	9.4
137.09717	5.4
141.09221	1.9
142.06595	2.7
145.02957	5.4
150.30045	1.3
153.09215	1.5
153.12813	1.8
155.10764	5.8
161.02443	3.7
161.04573	4.4
181.12343	3.2
183.13805	1.7
184.11040	1.6
187.04109	2.1
197.09595	1.1
199.03882	1.2
199.13405	11.1
215.95314	1.5
229.06180	4.9
237.31841	1.5
261.18536	4.4
277.21735	2.3
317.19586	4.5
325.20264	3.1
341.23355	19.9
343.17542	40.1
343.21295	46.1
344.17804	6.0
344.21613	4.9
347.05594	1.6
361.18713	47.7
362.19043	6.3
365.11462	2.2
371.14813	2.6
375.04791	1.8
385.22253	5.4
386.41693	1.7
403.19385	44.8
403.23431	100.0
404.19766	4.8
404.24289	16.4
418.02570	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2339
Annotation	Celerioside E
Peak:m/z	Relative Intensity
57.03448	2.8
58.00590	0.7
59.01388	6.0
60.11443	0.5
61.98823	1.9
69.93474	0.6
71.01371	1.7
71.05010	0.6
73.02941	1.3
75.00877	18.7
78.17381	0.5
83.05022	2.2
85.02958	0.6
87.00891	1.2
87.04509	1.6
89.02439	0.8
91.05527	0.6
93.03445	1.9
93.07060	0.8
95.05007	1.1
97.06595	3.9
99.04532	1.9
101.02435	0.7
101.06092	0.7
107.05042	1.5
109.02946	1.1
109.05885	1.0
109.06598	17.0
111.04524	3.6
111.08140	1.5
119.05048	1.2
121.03002	0.6
123.08188	6.9
125.06096	1.3
125.09743	2.9
127.07638	1.5
132.04515	0.6
135.04543	1.6
135.08170	14.7
136.08473	1.1
137.09700	0.8
138.06862	7.8
139.07611	0.6
141.09195	1.3
145.02943	1.0
151.07623	0.9
151.11295	0.5
153.09224	33.7
154.09541	2.1
160.04030	0.6
161.02490	0.9
185.14272	0.6
187.09767	5.5
190.05063	1.5
195.08240	0.6
197.09872	0.5
217.10812	100.0
218.11188	6.6
229.42455	0.7
239.10748	0.8
240.10332	0.9
241.05026	2.3
253.06097	0.8
267.07669	0.8
273.18607	0.6
283.10956	3.0
301.10953	1.0
303.19653	2.2
305.40552	0.6
309.08743	0.8
318.65921	0.6
327.10031	3.0
355.21368	0.8
359.24207	0.6
364.66458	0.5
371.08939	2.0
385.22330	26.3
386.22540	3.8
403.11908	6.9
403.23404	67.3
404.12225	1.0
404.23737	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	403.2127
Annotation	CHEBI:67678
Peak:m/z	Relative Intensity
52.67131	0.4
57.03229	0.4
57.03449	5.6
59.01366	1.9
61.98826	1.6
62.48925	0.4
65.00320	1.8
72.64677	0.4
81.03469	3.8
83.01398	9.6
98.20066	2.1
100.35474	0.5
120.05830	0.7
121.06584	1.1
122.03753	0.7
123.04513	4.5
125.02455	10.6
133.06593	1.6
135.04517	1.4
141.25966	0.5
145.06639	0.6
146.07385	0.7
147.04559	0.7
163.13742	0.5
167.03484	0.5
209.19121	11.2
210.19432	0.7
231.21194	2.2
233.19102	14.8
234.19434	1.8
245.19142	0.5
249.22224	10.7
250.22688	1.0
251.20212	1.5
255.21289	0.5
257.19080	0.9
267.23312	2.3
271.20612	0.8
273.22235	32.4
274.22571	4.7
275.20126	12.4
276.20554	1.2
277.18170	0.6
287.20471	0.8
287.23840	3.4
291.23254	3.3
293.21130	1.5
297.22327	0.6
315.23279	19.6
316.23715	2.7
317.21228	13.2
318.21564	1.7
319.19180	3.6
320.19498	1.0
335.22232	5.6
336.22629	0.8
341.21320	1.2
343.19214	0.7
359.22272	33.1
360.22647	5.5
361.20117	4.2
362.20441	0.7
382.87482	0.5
403.21231	100.0
404.21606	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.3
59.01382	23.4
61.98826	3.5
68.68391	1.1
71.01390	5.2
71.53981	1.8
72.99313	82.0
73.02972	1.0
73.99654	1.3
75.00883	1.8
81.20220	0.9
85.02977	1.6
89.02456	2.5
91.04015	1.5
99.00844	1.4
101.02412	1.7
108.41016	1.0
121.02981	1.5
125.02438	1.6
161.04494	1.6
174.03258	1.1
175.03889	1.8
191.03540	2.2
192.04228	3.0
195.17480	1.8
207.17563	1.1
221.19174	1.6
223.20729	1.7
249.18629	9.5
250.18825	1.8
255.19652	2.7
267.19662	100.0
268.19992	14.1
272.71677	1.1
293.17566	2.7
309.94788	1.3
311.18652	14.9
312.18994	1.6
385.22327	72.4
386.22525	9.9
403.17886	2.4
403.23349	31.8
404.23618	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23177	0.6
59.01382	100.0
60.01729	0.8
61.98833	1.6
69.53818	3.8
69.54229	1.2
71.01389	1.3
73.02965	0.8
75.00867	4.8
76.90887	0.6
100.40762	0.6
101.02452	0.9
102.33670	0.6
119.05014	0.8
135.04552	0.8
138.49329	0.7
145.02995	2.0
159.04559	0.9
162.05594	0.9
164.16586	0.6
199.04066	1.1
213.05585	0.7
241.05107	2.5
315.44440	0.7
327.21463	0.7
334.75916	0.8
361.25970	4.2
403.08377	1.8
403.22858	1.0
403.27170	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1975
Annotation	Breyniaionoside A
Peak:m/z	Relative Intensity
55.01884	8.2
55.99363	0.9
57.03452	9.8
57.20436	1.1
58.00596	2.8
59.01382	80.0
61.98829	6.9
69.50541	1.7
69.50949	5.8
71.01386	54.3
71.05015	1.2
72.99306	4.3
73.02948	25.4
75.00874	6.5
83.01404	18.7
84.02196	0.9
85.02436	1.6
85.02955	31.8
87.00876	3.0
87.04505	1.2
88.72657	0.9
89.02453	13.7
90.62781	0.9
95.01397	4.9
97.02973	1.3
99.00893	7.6
101.02450	100.0
101.06055	5.4
102.02779	3.1
109.02953	1.9
111.00878	1.0
113.02453	25.6
114.02808	1.1
117.57799	0.9
119.03514	3.6
119.05025	2.4
120.05836	1.1
121.02885	1.3
125.02464	1.3
125.06129	1.1
134.47647	0.8
135.04523	1.6
135.08139	2.7
137.09705	1.9
140.07184	12.0
143.03488	4.4
147.08157	2.0
153.09213	4.2
159.02988	3.0
161.02534	1.5
161.04572	22.9
162.04950	1.4
163.04048	1.2
163.11298	1.9
166.98042	1.0
175.07701	1.6
179.10733	2.5
181.08713	1.5
187.11353	3.9
190.10056	1.5
193.90205	1.1
203.10754	1.4
205.12326	8.5
221.11760	1.9
223.13429	2.5
232.83319	1.0
241.14450	51.2
242.14771	5.1
281.08200	1.2
285.13477	1.0
291.61365	1.0
293.07748	1.0
314.60110	1.0
327.14084	0.9
336.70490	0.9
403.11325	1.8
403.19766	57.0
404.20090	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1976
Annotation	Pisumionoside
Peak:m/z	Relative Intensity
51.61021	0.5
55.01891	2.6
57.03435	2.2
58.00587	1.7
59.01385	47.1
69.03454	1.2
71.01391	22.1
72.99303	1.8
73.02953	9.3
75.00878	2.7
78.91898	0.8
81.03455	0.5
83.01382	5.1
84.98491	0.5
85.02962	10.4
86.00085	1.7
87.00880	4.4
89.02446	3.5
95.01374	1.8
97.02947	1.1
98.71511	0.6
99.00906	2.6
101.02449	13.3
111.00867	1.2
112.01676	0.6
113.02467	6.8
119.03465	0.7
124.01666	0.6
125.02506	1.3
135.04616	0.5
143.03496	1.1
145.02914	0.6
146.69878	0.6
153.12727	0.5
153.59630	0.5
159.04456	0.8
161.04550	0.9
181.12311	1.3
199.04097	1.0
199.13399	12.3
200.13751	0.7
213.14948	0.8
229.49782	0.8
241.05106	2.0
251.47308	0.5
317.19724	0.9
331.75055	0.5
343.17645	19.5
344.17935	2.0
361.18692	48.6
362.18964	5.0
403.19724	100.0
404.08704	0.7
404.20026	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	403.1762
Annotation	Caesalpinin O
Peak:m/z	Relative Intensity
51.36470	0.3
57.03450	12.5
58.99018	0.3
59.01377	1.1
61.98829	0.3
65.00311	2.0
69.48048	1.0
69.48472	1.6
74.06150	0.3
79.05553	1.4
81.03463	10.1
83.01391	5.2
83.05027	0.7
93.18634	0.3
96.28038	0.3
97.06612	0.7
105.03477	0.4
107.01418	0.7
121.05785	0.5
121.06594	3.5
122.03727	0.7
123.04530	12.3
124.04838	0.6
125.02454	100.0
126.02784	3.8
133.06625	1.1
135.04526	0.9
147.04520	1.3
149.02448	2.7
151.00377	0.7
155.10919	0.4
160.05347	0.6
165.05598	2.2
167.03502	2.7
167.14429	4.2
189.16539	0.5
191.03473	0.6
191.14426	5.0
192.00539	0.5
192.14706	0.4
207.17575	1.5
209.15530	0.9
231.17567	7.6
232.17879	0.6
233.15485	11.8
234.15703	1.5
245.19122	1.8
249.18710	0.6
251.16541	1.1
257.15558	0.7
271.20685	0.6
273.18604	13.6
274.18927	1.4
275.16528	9.8
276.16910	1.1
277.14478	4.2
278.14697	0.5
287.20041	0.3
291.19629	1.8
299.16528	4.0
300.16833	0.4
301.14368	0.6
315.19666	6.6
316.20029	1.4
317.17603	7.1
318.17841	0.8
319.15457	3.1
335.18698	1.4
341.17569	0.9
343.15399	0.6
359.18665	18.0
360.19165	2.8
361.16696	2.9
362.16525	0.4
385.16504	0.5
403.17642	64.3
404.17944	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1973
Annotation	Pisumionoside
Peak:m/z	Relative Intensity
55.01872	1.5
57.03434	2.3
58.00593	1.2
59.01384	54.7
60.01706	1.3
61.98822	2.0
69.03448	1.0
71.01390	22.0
72.99296	2.8
73.02951	7.8
75.00877	73.4
76.01211	1.3
76.63329	0.6
81.03463	0.7
83.01393	5.1
85.02949	12.1
86.00085	0.8
87.00883	3.9
87.04473	0.7
89.02443	4.1
89.12955	0.7
95.01354	2.5
97.02924	1.6
99.00855	3.2
99.04513	0.6
101.02446	12.9
109.02945	0.7
113.02474	7.4
119.03529	1.6
125.02435	2.2
145.02916	0.9
160.24312	0.8
161.04489	0.9
181.12294	0.8
197.09729	6.3
198.09985	1.3
199.13405	13.8
199.67874	0.8
200.13690	1.1
214.54274	0.7
235.71893	0.8
241.08694	3.2
308.74783	0.7
317.19791	0.8
341.23181	1.3
343.17609	21.9
343.21274	2.1
344.17914	2.1
361.18674	67.3
362.19064	8.2
403.19620	100.0
404.19955	12.4
404.24255	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1762
Annotation	17-Acetoxythymifodioic acid
Peak:m/z	Relative Intensity
53.55363	0.9
55.97253	1.0
57.03447	3.1
59.01382	3.3
61.98831	4.7
65.00333	0.9
70.23836	1.0
70.56120	1.1
71.61526	1.8
75.00863	2.1
79.44109	1.0
81.03474	4.5
83.01381	2.7
121.02945	1.3
122.03755	3.3
123.04520	2.6
125.02452	4.7
135.04543	1.4
142.67203	1.1
150.19778	1.1
159.04482	1.2
231.17592	11.0
232.17935	1.8
233.08408	1.3
245.15508	2.3
245.19142	1.5
255.17473	1.5
257.15448	13.1
271.17264	1.4
271.20740	5.5
273.18634	24.0
274.18954	2.8
275.16522	11.7
276.16843	2.1
276.47003	1.3
287.20322	1.9
291.19601	8.2
297.18524	3.9
299.16513	7.0
315.19638	58.8
316.19940	7.4
317.17651	8.1
318.17834	1.3
341.17599	9.8
343.15567	3.6
349.45328	1.1
359.18652	100.0
360.19003	14.1
385.16428	7.2
403.17462	18.1
404.17719	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	403.1761
Annotation	Caesalpinin O
Peak:m/z	Relative Intensity
57.03449	8.3
59.01377	3.4
61.98824	2.9
65.00312	1.2
72.71014	0.8
81.03456	9.9
83.01395	5.3
112.86523	0.7
113.48946	0.7
121.06600	3.2
123.04532	10.3
125.02451	100.0
126.02788	4.0
135.04478	0.8
143.97392	0.7
147.04568	1.0
149.02415	2.8
151.00403	1.1
153.03720	0.8
165.05571	3.1
167.03502	2.3
167.14421	4.2
175.68100	0.7
189.92978	0.7
191.14421	5.2
207.17497	1.5
209.15454	1.6
231.17596	6.3
232.17711	0.9
233.15456	11.4
234.15831	1.3
245.19189	1.6
249.18443	1.1
249.60725	0.8
257.15311	0.8
273.18591	14.7
274.18982	1.3
275.16528	10.3
276.16931	1.9
277.14395	4.3
291.19598	2.0
299.16550	3.5
315.19626	6.5
317.17651	7.8
318.17896	0.9
319.15533	2.5
343.15549	1.0
359.18674	14.5
360.19083	2.0
361.16617	3.0
403.17590	80.1
404.17938	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	403.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25331	0.2
59.01387	4.3
61.98826	0.3
71.38230	0.3
72.99316	1.1
75.00880	100.0
76.01210	1.0
93.03466	4.6
100.64010	0.2
109.03004	0.2
109.06590	0.2
111.00889	1.9
112.66173	0.2
119.05022	0.9
125.99871	0.2
133.06554	0.3
145.06583	0.4
169.06598	0.4
171.08125	0.9
179.93484	0.2
182.07364	0.8
183.08141	0.2
185.06140	0.2
195.08165	3.5
196.08859	0.7
197.09720	5.3
198.10052	0.6
211.07674	0.8
211.11327	0.3
213.12897	0.6
217.10884	0.5
221.17195	0.2
223.07668	1.4
237.09245	0.3
239.10786	5.1
240.11177	0.5
241.05106	0.4
241.08662	1.6
242.09082	0.3
257.11819	0.8
283.09763	5.2
284.10114	0.6
294.18988	0.2
299.09140	0.3
301.05316	0.2
301.10849	3.3
302.11227	0.3
327.08752	0.9
345.09436	0.2
359.11533	0.4
385.22586	0.3
403.10999	1.3
403.23630	1.1
426.46979	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16852	0.4
57.03446	0.5
57.05630	0.4
59.01384	9.5
64.77547	0.5
69.65035	3.1
71.01385	3.3
72.99308	1.8
73.02944	1.7
73.39156	0.5
74.92248	0.5
75.00877	100.0
76.01212	1.6
82.49764	0.4
83.01375	0.6
85.02953	1.4
87.00884	0.6
87.48962	0.5
89.02470	1.3
101.02451	2.5
113.02497	0.9
119.05010	2.0
125.25102	0.5
145.02950	2.5
162.05621	1.1
163.04007	0.8
168.04128	0.5
181.12314	0.7
197.09712	4.0
198.09982	0.8
199.13446	1.6
241.08749	1.5
242.57590	0.5
283.09799	0.7
301.10910	2.0
343.17764	2.2
361.18713	5.3
362.18927	1.3
403.19388	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	402.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70629	1.1
59.01385	100.0
60.01713	1.3
68.01411	1.1
69.70374	1.7
69.70779	4.5
71.01389	2.3
73.02961	1.3
75.00871	3.8
83.55163	0.9
89.02477	1.2
98.20602	2.0
98.36378	1.0
101.02413	2.4
106.62281	0.9
115.28702	1.0
119.05037	2.7
123.03280	2.1
137.26204	1.0
138.01993	1.2
138.05620	38.1
139.05939	1.0
157.83270	1.2
180.06615	1.9
181.70088	1.1
197.73508	1.2
300.10892	1.4
342.11914	17.4
343.12219	1.6
403.19644	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	402.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98856	100.0
66.92043	90.0
71.90442	85.1
117.00188	78.6
136.05186	81.4
145.38828	89.4
146.81494	84.2
179.16292	82.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
59.01384	100.0
60.01682	1.0
70.15878	3.6
71.01387	12.4
71.05019	0.8
72.99300	1.2
73.02946	4.0
75.00880	12.1
83.01408	1.0
85.02950	3.5
89.02441	5.1
93.03469	2.1
95.01415	0.8
99.00883	1.3
101.02451	9.9
109.02942	2.5
112.04040	1.3
113.02448	4.9
119.03539	1.4
119.05023	4.1
121.02988	1.2
123.03269	2.4
123.29586	0.9
124.04040	1.8
127.07732	0.9
135.04536	3.9
137.09708	1.0
138.05617	35.3
139.05876	1.5
143.03525	0.9
161.02402	2.2
161.04550	4.9
163.04086	1.6
163.73405	0.8
169.69353	0.9
174.53407	0.9
175.03926	2.1
177.05573	1.0
179.10765	2.0
180.06718	1.9
189.48572	1.0
230.08246	2.8
232.19089	0.9
240.04346	1.5
240.06635	1.7
241.05147	1.2
241.10858	2.0
241.14398	4.2
267.06281	0.9
278.05658	1.1
279.06671	1.2
281.08075	1.5
282.08682	0.9
283.10593	1.2
293.08139	1.3
313.10336	1.1
342.11948	16.2
379.77737	1.0
403.11880	4.4
403.19803	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	401.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10307	0.6
55.01880	4.1
57.03455	2.8
58.00594	1.2
59.01385	36.8
71.01387	29.9
71.38509	1.2
72.99314	2.6
73.02947	10.2
75.00871	1.7
83.01388	8.6
85.02955	17.3
86.00115	2.4
87.00894	1.6
89.02449	10.8
95.01387	3.1
97.02935	0.9
99.00895	3.0
101.02451	27.5
102.02816	0.8
105.70577	0.7
113.02455	12.7
119.03514	4.7
121.02992	3.5
121.38419	0.7
159.03036	1.3
161.04549	1.3
208.08122	0.7
239.16383	1.1
259.69720	0.7
341.14969	0.9
401.21805	100.0
402.22107	16.0
408.51151	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.3
67.55345	0.4
69.10732	0.5
69.27377	4.6
71.01391	2.6
72.99322	1.3
73.02950	1.4
75.00879	100.0
76.01225	1.0
83.01384	0.5
85.02961	1.2
89.02468	0.9
93.03476	2.0
100.00412	0.6
101.02444	2.4
109.02979	0.5
113.02333	0.6
135.04547	2.4
136.04880	0.9
161.02426	1.2
186.05617	0.4
196.07735	0.6
229.06154	1.2
240.10292	8.3
241.08653	2.1
241.10931	1.7
242.11861	1.0
256.13525	1.7
257.13519	0.6
282.11465	1.0
283.13373	1.0
293.04419	0.6
300.12439	0.7
322.90601	0.5
327.12314	0.6
343.17639	0.6
350.00012	0.5
361.18622	0.9
365.11484	0.9
366.11575	0.6
385.16745	0.6
402.17526	0.7
402.21735	2.7
403.19327	1.6
403.23740	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84628	0.4
55.01884	5.1
57.03452	3.8
58.00584	1.3
59.01386	29.8
60.01716	0.5
64.56224	0.4
69.27722	4.0
69.28129	1.0
71.01388	29.3
72.01723	0.7
72.99304	2.2
73.02959	12.4
77.54932	0.4
83.01397	9.2
85.02959	19.2
86.00114	2.4
86.03266	0.8
87.00883	1.7
89.02449	3.3
95.01397	2.9
97.02955	0.8
99.00888	3.5
101.02449	26.8
102.02789	0.9
106.93551	0.4
111.00899	0.9
113.02470	8.6
119.03529	0.6
121.02959	9.3
127.60278	0.4
135.04527	1.2
159.03018	1.2
159.21373	0.5
161.04562	2.9
163.04121	0.5
181.06657	0.8
182.89412	0.5
229.06238	0.8
239.16463	1.4
309.49927	0.5
311.46289	0.5
313.07294	2.9
330.26065	0.4
357.06061	1.0
365.11282	0.7
385.90991	0.5
401.08679	2.3
401.21765	100.0
402.22089	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	401.182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62188	0.8
57.03449	3.8
59.01384	14.3
65.43002	0.9
68.61242	0.8
69.03452	1.8
71.01393	7.7
71.05009	1.3
72.02174	7.0
72.99342	1.3
73.02950	1.5
74.52068	0.8
75.00880	8.3
78.08157	0.9
79.59495	0.8
81.03498	0.9
81.07085	1.2
83.01403	0.8
85.02964	2.0
85.06563	4.1
87.00898	1.1
89.02461	3.3
95.05063	1.3
97.06607	3.2
97.96056	0.8
98.52597	0.9
98.79819	0.8
100.90978	0.9
101.02467	2.0
105.30287	0.9
108.08212	2.4
109.02972	4.8
109.08532	1.4
111.08186	3.9
113.02480	1.7
113.06104	3.6
119.05022	1.1
120.27155	1.1
123.08166	13.5
127.11301	3.8
135.04544	1.8
141.09236	22.8
152.07228	2.3
153.07526	1.6
153.09195	1.4
161.02504	4.6
161.04523	0.9
171.10280	26.7
172.10577	1.9
185.08197	1.3
196.06200	1.4
197.06467	2.2
223.17090	1.2
227.07242	1.1
237.03935	1.2
241.18071	2.0
269.17590	1.2
271.19275	1.1
277.18143	2.2
281.08130	1.5
295.19128	3.2
300.02881	1.1
313.20212	100.0
314.20581	11.0
339.18152	3.8
357.19147	6.0
358.19623	1.3
401.08878	0.9
401.18112	4.7
401.22067	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	400.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
63.36311	0.5
69.28875	2.0
69.29300	2.9
79.34646	0.4
98.20634	1.2
121.02985	1.8
144.29849	0.5
161.02464	0.8
180.55530	0.6
188.33153	0.5
242.95625	0.5
293.24786	0.9
294.25098	0.6
320.92255	0.6
337.23944	4.1
338.24048	0.5
355.86096	0.5
401.23352	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	59.6
70.33031	23.5
71.01385	50.1
73.02950	7.4
75.00874	8.2
85.02972	17.7
89.02441	76.1
94.95721	35.9
96.63606	9.4
101.02420	17.5
109.02941	7.2
113.02473	20.3
115.32207	6.2
116.71569	6.5
118.95805	8.1
119.03481	28.0
120.52015	6.8
135.04509	16.3
161.04497	9.0
177.05638	13.9
178.97823	14.8
179.05618	22.5
239.90700	8.7
242.17056	8.6
341.10910	100.0
364.81583	7.0
401.11102	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	400.125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03483	0.4
59.01385	7.8
61.68305	0.3
64.03536	0.4
64.59510	0.6
70.05476	0.7
70.05872	0.9
71.01385	2.8
72.09610	0.4
73.02961	1.7
75.00883	1.3
83.01381	0.8
85.02962	1.0
89.02437	0.6
93.76921	0.4
98.19879	0.7
101.02469	1.9
108.08202	100.0
109.02960	0.7
109.07887	0.6
109.08533	4.0
113.02445	1.0
118.35215	0.4
119.03678	0.4
120.08187	3.0
125.02458	0.9
132.08215	2.2
134.06117	1.1
136.07657	0.4
148.07707	2.2
151.04030	0.5
152.07182	70.6
153.07532	3.9
161.02470	0.6
164.07195	1.1
166.08742	19.5
167.09085	1.3
176.07155	1.8
178.05130	0.4
192.10321	0.9
194.08241	10.4
195.08563	0.9
196.06158	59.6
197.06505	3.9
198.51030	0.3
238.07237	7.5
239.16678	0.5
280.08344	0.6
300.02835	0.4
302.06943	0.6
307.80878	0.4
329.32385	0.4
340.10403	2.5
400.12625	2.9
400.20566	0.4
401.13034	0.8
401.17642	0.8
401.21960	1.0
407.66394	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.0522
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33793	0.3
59.01382	2.5
61.98835	100.0
67.97038	0.3
71.01394	2.4
71.60521	0.4
72.99338	0.5
73.02956	0.6
75.00880	17.0
83.01406	0.5
83.98346	0.3
85.02979	0.4
86.23845	0.3
87.00906	0.5
89.02454	0.9
93.03481	2.4
94.38754	0.3
96.59327	0.3
98.02489	1.3
99.00874	1.9
99.61062	0.3
101.02441	0.4
105.48833	0.3
108.02188	1.6
108.04540	0.4
109.02960	4.6
113.02471	0.6
113.44176	0.3
115.00370	3.1
117.03452	0.3
119.05077	0.9
121.02996	1.0
122.03768	0.8
123.04571	0.6
131.05058	0.4
133.02969	1.5
135.04549	2.7
139.00381	0.6
139.08783	1.0
143.05070	0.4
145.02956	1.3
145.06654	0.5
146.03601	0.4
147.04547	0.9
149.06107	2.6
151.04047	0.3
154.23817	0.3
159.04503	0.9
160.01662	0.5
161.02464	7.2
161.04773	0.5
161.06058	2.5
162.02788	3.3
162.06528	0.3
163.04036	0.9
165.01978	0.5
167.03450	0.4
171.04558	0.9
173.02486	0.4
174.03258	1.3
175.02515	1.7
175.04045	2.6
177.01926	3.1
177.05582	0.3
179.03598	1.6
187.04028	1.9
193.05103	0.4
193.54764	0.3
197.04590	0.3
197.06203	0.7
197.08124	0.4
205.04985	0.6
206.02200	0.5
211.07564	0.4
214.08856	0.3
219.03116	0.4
225.05600	0.7
226.06325	2.0
227.07202	3.8
233.04572	2.3
234.04941	0.5
237.04054	1.0
237.09259	0.8
238.04283	0.7
238.06371	0.6
239.07283	1.7
251.07117	0.6
251.14108	1.3
252.07829	0.4
253.05110	0.4
253.06372	0.4
253.08736	3.0
255.10278	8.5
263.07089	0.4
265.05255	0.4
266.05759	1.9
277.03500	6.9
278.03918	0.4
279.03101	0.4
279.06784	0.4
281.04889	0.7
281.08215	13.2
282.04874	1.7
283.06287	0.4
299.09402	1.1
319.04477	2.5
324.08118	1.3
325.07190	7.3
337.05661	2.6
342.06671	0.4
343.08252	4.0
400.05356	1.2
400.09747	0.9
401.09412	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.2
57.03444	3.9
57.93064	0.4
58.00599	5.4
59.01382	96.3
60.01724	1.1
69.03450	0.7
70.62145	1.6
71.01385	100.0
72.01723	2.2
72.99318	5.9
73.02952	14.4
74.22825	0.5
75.00875	1.5
83.01390	9.1
85.02956	31.0
87.00874	4.3
87.04517	1.4
89.02448	83.4
90.02785	1.8
95.01385	6.5
97.02936	1.3
99.00879	6.5
101.02450	70.3
102.02792	0.9
113.02454	40.1
114.02765	1.5
119.03507	36.5
120.03815	0.8
125.02407	1.6
131.03517	3.8
143.03502	5.3
149.04564	2.6
156.58699	0.5
159.02980	3.5
161.04558	15.2
162.04861	0.8
179.05598	5.9
192.62553	0.5
197.75285	0.5
268.09576	0.4
309.77536	0.5
399.19864	0.4
399.23889	4.1
400.24066	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2388
Annotation	Pterodontoside H
Peak:m/z	Relative Intensity
52.24754	0.3
55.01885	6.3
57.03455	9.5
57.08650	0.3
58.00597	11.7
58.72852	0.3
59.01382	19.5
67.01891	0.9
68.99827	1.1
69.03465	6.6
71.01388	61.1
71.05029	10.9
72.01736	1.0
72.02147	0.6
72.99326	2.2
73.02953	27.3
73.06594	1.5
75.00874	0.5
76.88114	0.3
76.96510	0.3
79.01902	0.4
81.03471	2.4
83.01396	20.0
83.05035	3.2
84.01736	0.5
84.02189	1.2
85.02959	28.0
85.06599	2.4
86.00105	6.6
86.03265	0.4
86.39500	0.4
87.00892	7.6
87.04521	37.9
87.95581	0.4
88.04861	1.0
89.02446	6.6
95.01394	13.4
96.01739	0.5
97.02959	5.9
98.20651	0.8
99.00890	11.8
99.01518	0.7
99.04528	2.5
100.01685	1.6
101.02455	51.8
101.06087	100.0
102.02789	1.1
102.06450	2.7
107.08720	0.3
110.00175	0.4
111.00885	10.6
112.01673	7.0
112.02394	0.5
113.02460	44.8
113.06082	0.9
114.02803	1.2
115.04040	0.6
116.01184	0.4
119.03493	1.6
123.00868	0.8
123.08189	0.8
124.01668	3.6
125.02457	9.5
125.09752	1.2
127.04027	0.5
131.03479	0.3
139.11295	0.7
141.01967	2.0
142.02733	2.7
143.03516	6.3
145.74431	0.4
147.11804	0.4
147.56177	0.3
149.13370	0.7
151.11302	0.5
152.03337	0.4
155.07181	0.8
158.02179	0.4
160.03851	1.8
161.04581	3.9
165.12883	1.5
167.07260	0.4
167.14450	3.3
169.12274	3.0
178.04837	1.8
179.14432	5.1
183.13884	2.2
185.15479	4.0
195.13983	1.8
197.15550	0.7
201.11356	0.9
211.17067	0.8
219.17450	0.5
227.16556	0.9
229.14499	0.4
229.38600	0.4
235.17018	0.8
237.18651	1.7
255.19656	13.6
256.20114	1.1
261.34088	0.4
279.19714	1.1
281.93326	0.4
293.17654	0.8
297.20715	22.8
298.20978	2.1
321.20752	0.5
325.20154	0.5
329.19815	1.2
337.20248	0.5
351.21902	1.6
363.21893	1.6
367.21515	0.4
381.22717	3.7
399.23907	50.4
400.24216	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	399.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	16.5
58.95111	0.9
59.01384	16.2
69.03469	1.1
71.05021	1.2
71.38490	1.7
82.26817	0.9
83.05032	1.4
85.06598	2.7
89.02441	2.0
91.04021	2.5
99.08160	1.1
111.08189	1.3
114.63845	1.1
140.00952	1.0
140.12422	1.0
167.14349	2.3
179.14409	8.7
191.14462	2.0
193.16026	6.5
194.16371	1.1
195.13908	4.7
195.17546	18.5
196.17911	1.8
197.15485	1.3
200.23209	1.0
207.17522	1.5
209.19138	1.3
211.17010	12.7
212.17310	1.4
217.15955	3.3
219.17511	4.4
221.15500	2.1
235.17030	13.1
237.18587	40.3
238.18980	3.1
239.16518	15.1
240.16888	1.8
253.18111	3.3
254.18289	1.3
257.17529	7.6
263.16464	3.4
265.14520	3.4
279.16083	4.3
281.17590	44.0
282.17932	5.6
289.14453	1.3
307.15604	5.7
325.16559	100.0
326.16879	12.9
355.21213	1.8
399.20230	74.7
400.20575	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	399.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06915	0.3
59.01384	100.0
60.01704	1.9
60.88650	0.3
68.09837	0.3
69.77386	1.4
71.01391	4.9
72.99365	0.4
73.02959	1.9
75.00881	3.5
80.79437	0.3
83.01395	0.8
85.02955	2.0
89.02459	1.3
93.03452	0.7
98.19810	0.3
99.00866	0.5
101.02457	4.0
109.02993	1.1
113.02447	2.5
119.05052	0.6
121.03020	0.8
131.05034	0.5
133.06563	0.4
135.04581	0.6
139.73376	0.3
145.02969	1.8
147.04541	0.4
150.06908	1.3
159.04530	0.8
161.02515	0.7
161.04585	2.2
161.05925	0.5
173.02498	0.4
175.03923	0.6
177.05655	1.2
177.09244	1.6
187.03979	0.4
194.05913	1.3
194.95482	0.4
195.06618	0.6
195.10245	2.2
217.05179	0.3
237.05728	0.4
251.07191	1.1
251.11371	3.8
252.11771	0.4
253.08794	1.5
279.03180	0.5
279.06656	0.8
281.04419	0.6
323.05655	2.1
339.14557	1.4
341.06561	0.8
399.12714	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	2.7
59.01385	50.0
60.01698	1.1
66.04544	1.1
69.03454	1.9
69.77957	5.5
71.01386	5.1
72.99324	1.5
73.02951	2.3
75.00875	4.9
77.07401	1.2
78.75798	1.1
83.05029	2.6
85.02960	4.1
87.00888	35.5
97.06560	1.7
101.02463	3.3
109.02937	1.2
111.04554	1.3
112.01652	4.2
113.02465	8.2
113.06108	4.9
123.08172	5.2
123.41801	1.3
125.02493	3.8
125.06115	3.2
125.09739	3.5
126.25015	1.2
129.56091	1.2
132.97495	1.2
139.11307	22.8
145.02954	3.9
151.11284	3.0
177.12845	3.4
185.11838	73.2
186.12141	3.5
187.09692	1.6
193.16092	2.0
195.13974	1.4
221.15434	2.0
223.17029	8.9
239.16481	1.5
247.17075	2.2
249.15054	1.9
253.86859	1.3
265.18097	4.4
267.16013	6.7
283.15726	1.8
293.14066	2.6
311.14993	37.2
311.18634	100.0
312.15225	4.2
312.18970	12.2
323.05423	1.9
337.16519	4.9
355.17627	7.5
381.15689	1.4
399.16568	76.2
399.24158	2.4
400.16843	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	399.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55314	0.3
59.01384	100.0
59.36274	0.3
60.01722	1.7
61.98831	0.5
71.01383	4.6
71.41100	0.4
71.41434	0.3
72.99343	0.4
73.02959	1.9
75.00881	3.7
83.01411	0.8
85.02960	2.3
87.00919	0.4
89.02450	1.5
93.03475	0.7
95.01425	0.3
97.03023	0.3
101.02453	3.5
109.03000	1.4
113.02466	2.3
114.80262	0.3
119.05055	0.8
121.02997	1.0
131.05066	0.5
135.04518	0.3
143.05113	0.3
145.02968	1.5
146.03609	0.4
147.04575	0.6
150.06825	1.8
159.03075	0.5
159.04491	0.5
161.02487	0.8
161.04594	2.1
161.05870	0.4
163.04024	0.5
175.04094	0.4
177.05663	1.3
177.09235	1.7
178.05989	0.4
187.04095	0.4
194.05836	1.9
195.06508	0.4
195.10318	2.4
201.01941	0.5
237.05731	0.5
251.07205	1.4
251.11359	4.4
251.42758	0.3
253.08871	1.1
279.03168	0.5
279.06787	0.8
281.04654	0.5
323.05576	2.2
324.05960	0.5
339.14572	1.4
341.06891	1.1
399.08084	0.5
399.13089	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.8
56.75667	0.5
57.03453	1.1
58.00590	0.5
59.01384	100.0
60.01735	1.1
63.87089	0.6
66.74196	0.6
69.60359	2.7
69.60777	1.1
71.01388	23.9
72.99274	0.6
73.02949	6.6
75.00887	3.3
83.01399	2.9
85.02957	10.3
87.00888	1.0
89.02460	9.9
95.01421	2.2
99.00900	2.5
101.02454	20.0
109.02995	1.5
111.00874	0.6
113.02460	10.5
114.02818	0.5
119.03506	4.0
121.02959	2.7
122.03321	0.8
143.03539	1.7
145.03015	1.0
154.16296	0.7
159.02998	1.0
161.04573	14.2
161.05794	0.7
162.04921	0.7
177.09286	0.7
179.05602	0.9
187.03998	1.2
195.10239	1.1
251.11375	43.0
252.11682	4.5
255.06738	1.2
281.04675	1.1
297.07797	0.7
299.05789	1.3
323.05826	1.6
341.06693	1.4
357.15369	0.8
399.07272	1.6
399.13062	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63499	0.4
55.69881	0.3
56.06527	0.3
59.01389	2.2
61.98824	0.4
69.94036	0.5
69.94452	1.4
70.88528	0.3
71.01358	1.0
72.99286	0.4
73.02957	0.4
75.00879	24.8
89.28233	0.4
93.03502	0.3
98.03786	0.3
101.02461	0.6
105.03504	0.5
109.02960	3.0
117.03460	1.5
120.17542	0.4
121.02995	0.4
123.04495	0.9
132.02173	3.1
133.02963	15.8
134.03253	0.6
135.04538	12.7
136.04822	0.9
137.02449	0.7
145.02922	2.1
147.04523	0.6
150.06879	1.8
151.04013	1.2
151.07623	0.5
159.04530	0.7
160.01645	4.3
161.02451	100.0
162.02812	6.4
163.04068	0.5
175.04027	0.6
177.05605	1.0
179.03508	10.4
180.03842	0.5
187.04085	1.1
191.03481	0.5
195.02927	0.3
195.06596	0.6
201.01985	0.6
219.03137	0.5
235.68240	0.4
237.04024	16.2
238.04376	0.9
239.03520	1.3
240.04123	0.5
242.36104	0.4
253.05083	0.7
255.06674	1.8
279.06635	0.6
281.04584	4.6
296.76697	0.4
297.07602	0.7
323.07825	32.1
324.08173	3.0
326.25928	0.4
341.06595	1.5
341.08926	2.4
382.65521	0.5
399.09396	13.4
399.14294	0.7
400.09756	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84283	0.5
57.91335	0.5
59.01384	24.5
61.98831	0.5
69.60051	3.8
71.01383	2.2
73.02952	1.2
75.00876	22.7
83.01372	0.5
85.02967	0.8
91.01908	1.7
91.05512	0.6
93.03469	10.1
98.19933	1.2
99.94108	0.6
101.02444	1.2
108.02205	1.7
109.02962	11.4
113.02469	0.9
116.02737	0.6
117.03459	2.3
119.05034	1.8
121.02969	7.9
122.03758	0.9
123.04530	0.7
129.03473	3.1
130.04254	5.7
131.05035	16.8
132.05402	1.6
135.04512	2.2
143.05048	7.4
145.02962	10.7
146.03746	13.5
147.04539	21.1
148.04872	1.1
157.02901	1.4
158.03741	1.3
159.04510	6.6
160.05193	0.7
161.02452	0.9
161.04593	0.9
161.06137	1.6
163.78558	0.6
173.02499	0.8
175.04025	4.6
177.05659	0.7
179.03448	0.8
181.06657	0.7
185.02487	1.4
191.78453	0.6
194.09483	1.1
195.06642	1.0
195.08205	1.6
195.10187	0.7
201.02049	0.7
204.05737	0.6
205.06718	1.4
206.07234	0.6
207.08107	0.7
208.05325	1.0
209.06065	2.0
219.03015	9.0
220.03210	0.6
222.06915	2.3
223.07628	5.1
224.08017	0.9
226.02007	0.5
229.01378	4.1
232.05396	1.2
233.06078	7.0
234.06749	3.5
235.07610	4.1
237.05592	8.8
238.06012	0.9
249.05519	2.5
250.06374	7.7
251.07135	67.9
251.11362	1.8
252.07463	7.7
253.08701	77.2
254.09053	10.3
261.05545	6.9
262.06296	2.1
269.08215	1.7
277.03604	3.2
278.05908	5.5
279.06619	38.4
280.06961	5.0
295.06009	1.2
297.07687	8.2
311.09351	1.5
323.05603	100.0
324.05933	14.0
341.06659	22.0
342.06952	3.8
399.07120	3.2
400.07303	0.9
408.24216	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.2
66.85798	0.2
69.73540	1.0
69.73952	0.4
71.01386	2.7
72.31033	0.2
72.99323	0.8
73.02957	1.0
75.00879	100.0
76.01233	1.6
83.01402	0.4
85.02958	1.2
89.02441	0.9
91.92176	0.2
92.54248	0.2
93.03475	0.3
95.01402	0.3
99.00860	0.2
101.02448	2.0
109.02972	2.2
109.11567	0.2
113.02428	1.1
117.03497	0.5
119.03534	0.3
119.05054	0.9
121.03008	0.3
133.02939	0.3
135.04552	3.2
135.97543	0.2
136.04837	0.2
145.02956	9.3
146.03294	0.4
147.04535	5.1
148.04889	0.4
151.03990	0.2
157.02937	1.1
158.03787	0.5
159.03065	0.3
159.04510	0.5
161.02470	1.7
161.04579	1.7
161.06105	0.9
173.02454	4.6
174.03232	1.6
175.04013	9.5
176.04355	0.6
177.05569	2.0
179.03540	0.3
184.91504	0.2
187.04007	0.7
189.05585	1.0
191.03528	3.2
192.03889	0.2
201.01945	20.9
202.02243	1.6
210.80014	0.2
219.02988	0.3
223.12239	0.2
233.04568	0.2
237.05661	0.6
237.07767	0.2
239.03549	0.4
240.04254	0.2
251.07339	0.3
251.11375	4.7
252.11690	0.3
253.05121	0.5
253.08664	1.2
254.05696	0.2
255.06660	4.1
256.06958	0.5
277.03558	11.8
278.03836	0.9
279.06705	0.3
281.04660	1.7
281.07645	0.3
282.05151	0.2
295.06143	3.0
296.06607	0.3
297.07684	4.6
298.08084	0.9
314.08463	0.2
323.05554	1.8
341.06558	0.8
399.07043	0.9
400.07480	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69514	0.6
53.49176	0.5
59.01384	3.2
69.81706	1.9
69.82130	1.2
71.01383	1.5
73.02949	0.5
80.05076	0.5
82.14632	0.5
98.20521	1.0
104.05076	1.0
106.06635	100.0
107.06971	4.4
108.08188	0.8
113.02447	0.7
118.06642	3.6
142.23198	0.5
146.06131	1.1
148.30267	0.5
150.05617	80.7
151.05972	5.2
162.05560	0.6
164.07173	13.8
174.05537	0.6
192.06677	11.3
193.06953	0.7
194.04588	12.4
194.06358	0.7
199.54068	0.5
234.07681	0.7
236.05704	0.8
338.08902	0.7
391.20248	0.5
397.37891	0.5
398.10913	3.0
398.15356	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.4
59.01385	4.1
61.11293	0.4
61.98822	0.7
69.74671	1.0
69.75061	1.3
71.01390	1.2
72.99293	0.5
73.02956	1.3
75.00878	50.8
76.01214	0.6
89.02467	0.6
93.03474	0.9
94.32264	0.5
101.02454	0.8
108.02178	0.9
109.02962	44.3
110.03307	1.7
117.01929	1.2
117.03451	1.2
119.05027	1.2
123.04510	0.6
125.02459	1.5
133.02998	0.7
133.06630	0.5
134.03758	0.8
135.04543	15.7
136.04871	0.5
137.02470	0.5
143.05006	0.5
145.02963	24.4
146.03490	1.4
147.04504	1.2
150.06810	0.4
151.03990	1.7
152.07182	0.6
158.03799	0.8
159.04509	5.9
161.02458	7.8
161.06094	12.7
162.06490	0.9
163.04008	1.3
173.02388	1.0
174.03175	0.4
175.03995	1.1
177.05586	1.9
179.03502	9.7
180.03917	1.0
185.02412	1.1
186.03249	2.5
187.04022	19.1
188.04346	1.6
191.03545	0.7
195.06763	0.5
195.10106	0.5
196.06078	1.0
201.01938	2.1
203.03593	0.5
205.05034	1.9
208.05438	0.5
209.06104	1.7
211.04041	2.5
212.04782	0.4
213.01938	4.8
214.02728	3.6
215.03519	1.1
215.05632	0.4
223.07578	0.6
224.04715	0.6
225.05542	3.1
227.07106	0.8
231.03052	1.2
237.05582	8.7
237.07697	0.7
238.06111	1.6
239.03513	27.7
240.04092	5.3
251.03459	0.9
251.07155	1.6
252.04202	0.8
253.05074	15.3
253.08856	0.7
254.05545	1.5
255.06651	6.6
261.05481	0.5
263.03510	1.5
264.04230	1.5
265.05026	0.6
267.06543	0.9
277.03333	0.7
277.05078	0.4
278.05917	0.6
279.03003	7.4
279.06631	2.8
280.03683	3.0
281.04565	100.0
282.02036	0.8
282.04935	10.5
293.04440	0.6
295.06097	3.1
297.07681	11.6
298.08087	1.0
299.05673	0.6
305.04593	2.0
323.05621	45.5
324.05939	6.2
341.06665	28.4
342.07092	4.0
358.07852	0.7
399.07272	12.4
399.12637	1.0
400.07605	2.0
421.05447	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53799	0.9
56.51130	0.7
57.03436	2.6
59.01380	8.2
69.53559	4.6
69.53970	1.4
76.64478	0.8
83.01414	3.9
91.04014	1.3
93.40066	0.9
181.67004	0.8
193.15840	1.7
195.17532	38.9
196.17885	3.2
217.19583	1.8
219.17549	4.5
221.38661	0.8
230.59866	1.1
235.20697	7.3
237.18593	73.5
238.18974	6.7
239.16568	4.6
251.20163	4.2
253.26669	1.0
255.19662	12.1
256.20007	1.3
261.18607	25.8
262.18930	2.9
279.19653	53.3
280.19998	5.9
304.01465	0.9
305.17538	3.7
316.71683	1.0
323.18658	32.1
323.22488	1.7
324.19006	4.2
353.23303	4.1
354.23569	0.9
397.22293	100.0
398.22604	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	397.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.9
57.26196	0.4
59.01384	31.7
60.01714	0.8
65.89407	0.4
69.82259	0.9
69.82671	1.5
71.01379	1.0
71.05010	0.5
85.06570	0.8
85.50796	0.4
97.06606	1.3
98.20513	0.9
99.04535	0.6
101.02400	0.6
113.02424	0.8
113.06103	4.2
115.07633	0.7
123.08163	1.2
125.06063	1.2
125.09708	2.1
126.06905	2.3
135.04552	0.5
137.09712	0.6
139.11328	5.4
149.09709	0.5
151.11316	0.9
167.10739	1.8
172.87527	0.4
177.12807	1.7
178.88853	0.4
185.11832	24.1
186.12106	1.3
195.13890	0.8
205.16006	1.1
247.17085	0.8
249.18576	3.8
250.18753	0.5
265.18127	3.1
293.17581	16.0
294.17975	2.3
311.18655	100.0
312.18970	12.8
338.27917	0.5
353.19717	17.4
354.19955	2.8
397.17334	1.0
397.26138	2.3
398.26077	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2233
Annotation	Neorustmicin B
Peak:m/z	Relative Intensity
51.31652	0.2
54.27236	0.3
57.03451	3.5
59.01387	8.8
66.11669	0.2
67.01868	0.3
69.03454	0.4
69.53757	1.9
71.01363	0.5
71.79085	0.3
83.01392	5.3
83.05035	0.5
83.80865	0.3
89.02474	0.6
91.04018	1.7
98.19855	0.4
106.04257	0.3
107.62315	0.3
108.52295	0.3
124.01839	0.3
129.42213	0.3
153.54500	0.3
163.21672	0.3
193.15950	1.3
195.17545	39.8
196.17863	3.7
209.15451	1.4
217.19589	1.8
218.19991	0.3
219.17520	5.4
220.17924	0.6
221.15454	0.8
233.19070	0.3
235.20656	6.3
236.21054	0.8
237.18602	68.7
238.18947	7.9
239.16516	5.2
240.16930	0.5
251.20161	3.6
252.20538	0.6
255.19655	11.4
256.19992	1.0
257.17554	0.6
261.18600	28.4
262.18906	3.2
267.67908	0.3
279.19656	54.5
280.19958	6.1
297.20682	0.5
305.17621	2.4
311.22235	0.8
321.61719	0.3
323.18634	29.2
324.18967	3.5
325.93256	0.3
353.23367	4.1
354.23901	0.5
397.22318	100.0
398.22672	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	397.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.2
60.12431	0.7
61.95882	0.7
61.98797	2.1
65.00304	1.1
71.61224	0.8
79.69427	0.7
81.03420	0.9
83.01369	1.0
95.05017	0.7
117.17838	0.7
119.05041	0.8
119.84273	0.9
129.84401	0.6
132.72081	0.7
133.06482	0.7
205.16006	1.4
210.48930	0.7
237.18523	0.8
245.19080	2.1
247.16989	3.0
253.15526	0.9
261.18439	0.8
263.14182	0.8
265.15814	3.3
267.17270	1.4
269.15216	4.1
283.16669	1.0
289.18066	1.6
291.17249	1.4
293.15314	0.9
301.16278	0.8
309.18375	100.0
310.18640	12.4
311.16275	16.0
312.16776	1.9
313.14114	0.9
339.04730	0.9
353.17352	40.8
354.17780	5.3
355.15244	3.0
381.85123	0.7
397.16351	79.5
398.16675	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	397.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79216	0.3
58.27802	0.4
58.94437	0.4
59.01391	0.8
61.98831	0.9
69.03454	1.0
69.31671	3.8
71.01387	3.3
75.00871	1.3
85.02947	0.3
85.53812	0.3
93.03468	16.9
94.03819	0.7
97.02975	2.8
98.20664	0.8
108.02159	0.4
109.02975	1.2
112.63438	0.4
117.03479	1.7
119.05032	4.9
123.04455	0.4
130.04272	4.1
132.05780	2.4
133.06607	36.4
134.03755	0.5
134.06937	1.8
135.04546	5.6
143.05037	1.1
145.02959	0.7
145.06602	34.3
146.06924	2.0
147.04526	2.4
147.08160	3.2
149.06102	0.8
158.03735	6.4
161.02495	0.9
161.06082	1.3
163.04109	0.4
163.07668	1.3
172.05385	2.0
172.06767	0.4
173.06088	44.2
174.06456	3.3
175.04066	0.6
189.05577	0.4
191.07153	100.0
192.07518	7.2
204.66254	0.4
217.05135	0.5
231.78189	0.4
235.06238	1.2
249.05524	0.6
267.06708	0.4
277.05182	0.8
279.03046	0.5
293.04504	0.7
295.06143	1.0
306.09521	0.4
321.04004	2.1
339.05048	1.3
353.12378	2.9
397.05850	1.4
397.11517	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1163
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.6
92.66352	0.5
96.96035	2.7
97.93153	0.9
99.92591	57.8
100.92578	3.5
113.92637	0.8
115.92080	10.8
116.92081	1.3
116.92864	9.7
118.89987	100.0
119.90018	5.6
134.89500	6.9
135.89284	0.9
135.90266	18.3
136.90279	1.4
141.93657	2.2
150.88971	7.2
250.06560	0.5
284.85193	0.5
360.13943	12.7
361.14230	2.0
378.10922	0.9
396.11649	38.4
397.11829	8.2
397.22598	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	21.8
61.98832	7.9
67.03004	1.3
69.48802	4.9
69.49212	6.5
71.01371	6.3
72.99306	15.4
74.99374	3.0
75.00887	2.2
76.99654	1.5
83.01382	5.5
83.05544	1.4
85.01461	1.7
93.03443	3.7
99.00886	4.2
101.00945	13.6
102.98864	4.4
109.02946	4.1
111.00887	5.3
112.98777	3.7
113.00948	1.9
115.02496	4.2
117.00450	35.2
121.51834	1.9
123.03017	5.5
125.00950	24.6
126.01018	2.3
126.98867	6.3
127.02541	3.8
129.00423	2.9
133.06578	4.9
135.04570	2.6
139.02496	3.0
141.00462	18.6
143.02025	15.0
144.99857	3.9
145.06584	4.3
147.03029	4.4
147.04443	2.5
148.03062	1.7
149.00957	8.1
150.98891	3.2
153.01901	2.5
155.01958	3.6
156.99959	2.1
157.03574	43.7
158.03690	4.5
159.01521	17.7
167.02010	23.1
168.02168	2.7
168.99944	28.4
170.00015	3.3
170.97810	7.2
171.01538	3.4
173.06052	6.1
183.00075	1.9
183.01486	7.3
187.00952	2.7
191.02008	6.8
191.07166	17.8
192.99898	4.4
196.99336	2.3
198.97664	3.1
198.99467	10.4
199.01047	3.1
208.97868	12.9
209.98080	1.8
211.00993	55.3
211.04535	3.1
212.01166	6.5
215.00436	2.1
217.00491	2.8
222.99403	2.6
225.01039	5.8
226.98885	6.0
227.00606	4.6
227.08391	1.9
227.99016	2.4
235.00896	9.5
237.22438	2.2
241.00531	33.5
242.00703	7.4
243.02003	3.2
250.98958	27.0
251.99103	5.8
254.99939	9.3
255.99969	1.9
259.01593	6.5
265.00266	2.2
269.00116	2.2
271.01636	5.3
281.00058	3.5
283.01630	19.8
284.01666	6.3
285.03195	4.7
293.00055	100.0
294.00201	21.1
299.01166	2.3
308.99484	29.7
309.99844	9.1
311.01123	10.5
321.03958	2.7
323.00888	3.2
325.99808	7.2
327.00156	3.1
336.99063	17.0
337.02814	2.7
337.99261	5.1
353.05777	2.8
354.99982	6.2
369.01779	2.5
397.06131	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	395.2076
Annotation	Cryptoporic acid H
Peak:m/z	Relative Intensity
52.78540	5.1
53.95551	4.9
54.20428	5.3
54.75044	4.9
57.03445	33.2
57.37104	4.3
59.01373	26.4
61.06985	4.4
61.98825	9.7
66.06330	4.9
69.58315	33.6
71.05026	20.7
72.99311	86.7
75.00880	18.2
81.03487	5.8
83.05026	6.2
96.96001	9.6
108.02267	4.8
109.02917	7.3
135.04517	5.5
181.15916	6.9
191.03461	16.0
193.15985	6.2
195.17538	40.7
221.19028	7.9
235.20760	25.7
247.20735	34.0
249.18573	11.0
265.21747	37.7
277.21707	14.3
289.21759	62.7
290.22073	14.5
291.19669	25.0
292.19904	7.4
307.22815	18.7
321.20724	98.3
322.21042	13.3
333.20724	40.8
351.21667	53.8
352.22205	7.6
377.19717	100.0
378.20108	11.2
395.20767	93.5
396.21072	15.2
419.04218	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	395.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.5
59.17192	0.3
61.10696	0.3
71.01359	0.7
71.16622	0.4
71.16940	0.6
73.02923	0.4
75.00866	0.6
78.95893	0.6
83.05022	0.4
87.60876	0.3
88.92749	0.4
89.02442	0.3
117.01929	1.0
135.03000	0.7
152.99617	0.8
191.03581	0.4
275.20297	0.4
277.21713	100.0
277.47906	0.4
278.22067	13.5
311.16660	0.4
395.24231	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
70.84957	100.0
96.96068	58.2
201.11108	47.8
205.30835	39.7
215.38942	43.0
222.49763	53.2
400.73788	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.8
61.06588	1.6
62.91975	1.6
70.29861	7.2
71.01366	2.5
75.00449	2.9
75.00880	51.5
76.58372	1.6
97.06630	2.0
99.00892	4.3
108.02187	15.7
109.02957	27.5
117.01921	3.9
121.02977	14.0
133.02937	5.1
134.03767	15.1
135.04538	51.8
136.01674	29.5
136.04887	2.4
137.02460	39.1
138.02794	2.0
145.03000	5.3
147.00919	2.7
147.04492	12.2
148.01691	11.6
148.05333	15.9
149.02402	2.5
150.03204	3.7
151.04021	2.5
155.44759	1.9
161.02406	2.1
162.03195	3.0
163.04016	25.0
173.02382	5.1
177.01881	5.5
178.02673	4.5
179.03487	5.5
180.04219	4.2
191.03506	100.0
192.04245	21.1
193.04939	3.7
196.03748	2.0
205.08788	2.4
224.03197	6.2
233.11873	2.5
236.03226	2.6
276.25323	1.8
286.84628	2.1
333.09760	4.9
375.69064	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	33.1
71.01385	14.4
71.40951	2.1
72.99303	3.7
73.02948	2.9
74.53248	1.6
75.00879	100.0
82.47704	1.5
83.01429	1.6
85.02969	2.6
87.00897	1.9
89.02464	12.0
89.89045	1.5
90.08018	1.4
96.19656	1.4
101.02446	14.7
101.06085	29.8
109.02956	4.5
113.02451	2.9
117.01938	9.5
118.99853	1.7
119.03522	3.8
131.03510	6.0
131.58731	1.5
133.02972	5.3
135.04662	1.5
141.45052	1.5
144.26659	1.5
145.02969	2.4
146.03749	6.4
146.07458	1.7
147.04503	1.7
149.02380	2.2
149.04579	6.2
149.06116	2.3
150.03223	4.3
151.07666	2.6
159.04520	5.7
161.02513	3.6
162.03230	2.7
163.07722	2.6
172.05336	2.6
173.02496	1.8
173.06038	4.2
174.03241	12.7
175.03905	3.3
175.07610	11.5
176.04817	3.3
176.08058	1.8
177.09196	5.6
185.02455	2.4
187.04005	5.5
187.07681	19.7
188.04784	5.6
188.08078	2.0
189.05496	2.6
190.06317	3.7
191.03604	2.1
191.05653	4.9
200.04807	2.1
202.06343	12.9
203.07150	21.4
204.04189	2.1
204.07521	1.9
205.08675	5.9
213.09215	3.9
215.07155	10.9
216.04352	2.2
217.08661	4.9
221.08235	2.8
223.72963	1.5
227.03584	3.0
228.04254	2.2
231.06653	3.7
231.10283	26.8
232.10439	1.6
233.04506	3.6
233.08427	11.1
234.89241	1.4
245.08180	21.0
246.08630	2.3
247.09792	3.5
249.11226	4.2
257.08182	11.5
263.09348	3.7
265.10709	9.2
275.09213	19.9
276.09506	2.1
277.10809	3.5
307.12143	2.2
309.20691	1.4
319.06100	9.3
328.20465	1.6
333.09927	2.9
351.10855	14.2
352.11478	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01716	1.4
61.98846	0.6
71.01374	0.7
75.00888	1.5
91.04044	1.2
91.06789	0.6
98.20001	2.7
98.20698	0.8
130.00235	0.6
144.08424	0.7
151.07626	0.7
155.06554	0.6
257.21133	2.8
265.01160	0.7
313.14322	0.9
331.15292	1.9
354.74933	0.7
390.84891	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00334	1.3
53.21072	1.3
59.01382	100.0
61.98843	1.5
63.99112	1.0
70.04137	6.5
75.00885	2.5
81.22563	1.3
96.95998	1.4
98.19949	1.7
98.20480	1.3
125.02511	1.2
200.62244	1.1
202.39743	1.1
257.21301	1.6
300.99664	1.5
333.17783	1.2
373.25180	1.2
391.12378	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31592	0.9
58.96529	0.8
59.01384	100.0
60.01715	1.3
69.32510	5.5
69.32928	2.3
98.19765	1.1
135.75316	0.9
145.02934	1.6
147.03432	0.8
165.05734	0.9
211.20721	1.4
257.21265	5.2
358.21259	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01709	1.5
62.33831	0.9
69.37922	6.9
75.00881	3.4
89.02483	1.2
91.04009	5.3
96.96022	1.5
98.20580	1.6
121.03773	0.9
175.98221	0.9
213.18611	1.9
244.12263	1.1
259.19156	21.0
260.19513	1.3
305.98325	0.9
380.24435	0.9
393.22885	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46567	0.5
59.01385	100.0
60.01721	1.1
67.22080	0.5
70.63725	0.5
71.01386	1.2
73.78077	0.5
75.00898	2.5
89.02483	1.0
91.03999	3.5
93.77798	0.5
96.96031	1.0
98.19891	1.1
103.49871	0.7
109.02963	0.8
113.54736	0.6
119.37566	0.6
133.02974	0.7
135.04533	0.9
137.02458	0.6
181.11421	0.5
183.17644	1.0
197.70093	0.6
213.18645	1.6
246.32832	0.7
259.19162	15.7
259.21759	1.0
260.19638	1.5
393.27225	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.234
Annotation	Sedumoside A3
Peak:m/z	Relative Intensity
52.51788	0.8
55.01883	6.8
56.18117	0.7
57.03453	7.1
58.00595	2.4
59.01385	77.0
60.01717	1.5
67.01894	0.9
68.99834	1.1
69.03451	0.9
69.84422	0.8
71.01388	92.2
71.40990	1.4
72.01734	2.4
72.99307	5.1
73.02953	34.8
74.03278	0.8
75.00879	45.7
76.01244	0.8
81.03460	1.1
83.01390	19.3
85.02960	47.7
85.06606	1.0
86.03311	2.0
87.00883	5.0
89.02450	17.3
95.01396	7.1
97.02982	2.6
97.06626	0.9
99.00892	13.3
99.01502	0.9
99.04575	2.0
101.02455	100.0
102.02793	3.1
109.02982	2.7
111.00912	1.0
113.02457	40.5
114.02798	1.7
119.03549	4.9
119.05041	1.5
121.02978	1.0
123.04538	1.1
123.08193	2.3
125.02491	3.5
125.09719	4.3
129.01956	1.8
131.03503	1.5
135.04568	1.4
143.03558	4.0
145.02998	1.3
155.80251	0.8
159.02983	11.0
161.04570	44.5
162.04970	2.8
169.08748	2.1
175.04016	1.6
177.05609	1.1
179.05658	1.2
182.70819	0.8
185.02559	2.0
187.09795	7.2
197.15466	0.9
201.11349	1.0
205.03569	1.8
211.13383	1.0
225.05560	1.1
227.16632	2.2
228.16911	1.0
229.10846	3.6
229.18091	2.7
245.13693	1.4
253.05186	2.9
258.59064	0.8
273.17221	1.1
277.05048	1.7
279.03101	2.2
280.03720	1.0
289.12665	1.0
305.04688	1.2
315.75751	1.0
331.17609	1.5
347.09293	2.9
349.18115	1.0
359.35422	0.8
373.18680	1.3
391.12180	2.6
391.19598	8.6
391.23544	71.6
392.19763	1.1
392.23883	11.6
403.41913	0.9
408.79791	0.9
413.06604	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75583	0.5
59.01385	100.0
60.01725	1.3
68.73981	0.5
69.46136	2.3
69.46557	1.8
71.01385	0.6
85.03002	0.5
98.19878	0.8
237.43141	0.6
295.50455	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2127
Annotation	(-)-12,12'-Methylenedicytisine
Peak:m/z	Relative Intensity
59.01379	2.7
63.25597	0.4
71.03024	0.7
75.00888	0.5
76.19945	0.3
95.66747	0.3
96.96066	0.3
103.50327	0.3
117.02678	0.4
117.03465	1.5
127.92237	0.3
132.02153	1.1
133.02966	20.7
134.03809	2.2
135.04539	7.5
137.02441	0.8
148.95116	0.4
151.78401	0.3
151.92599	0.3
153.00539	0.4
161.02452	100.0
161.28712	0.4
162.02797	6.2
171.10423	0.4
179.03491	1.7
183.17520	0.8
189.91234	0.3
229.18079	11.8
230.18498	1.2
260.36880	0.5
280.29370	0.3
305.21210	0.6
373.20200	2.8
374.20557	0.4
391.21283	39.0
392.21609	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	391.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.9
57.03454	1.0
57.41695	0.6
58.00609	1.0
59.01384	100.0
60.01715	1.8
63.32062	0.5
65.17210	0.5
71.01390	21.1
71.62074	0.6
72.99322	2.2
73.02956	14.0
75.00873	4.1
83.01392	4.4
85.02956	3.9
87.00905	1.7
89.02454	17.8
95.01407	1.5
101.02454	20.2
108.02219	0.9
109.02937	3.8
113.02462	9.1
119.03493	7.3
119.05006	0.7
125.02397	0.9
126.99568	3.3
131.03525	1.6
133.01503	0.8
134.03711	0.6
135.04512	0.7
143.03531	2.3
145.02914	0.8
149.04591	2.3
159.04463	0.6
161.04523	5.9
163.04021	0.8
175.07677	3.2
179.05621	4.3
185.06146	2.2
187.13478	2.3
219.06683	3.4
221.06729	1.1
229.05046	3.7
231.10510	0.7
303.08844	0.8
331.17587	3.6
349.18646	4.5
361.26010	1.6
391.11862	0.6
391.19543	3.7
391.27365	3.6
392.27484	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01708	1.1
61.01059	0.4
61.26367	0.4
71.01398	1.0
75.00884	1.0
90.24876	0.5
98.20747	0.9
101.02451	0.7
113.02441	0.5
117.37157	0.5
168.69937	0.5
174.87358	0.5
216.33170	0.5
229.49829	0.6
265.05008	0.5
313.38599	0.5
339.94986	0.5
367.96268	0.5
396.07635	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1977
Annotation	Leu-Phe-Asn
Peak:m/z	Relative Intensity
55.01896	1.0
57.03429	0.8
58.00593	1.7
59.01384	54.8
61.98824	1.2
70.12065	3.2
71.01386	27.8
72.99316	1.7
73.02947	2.9
75.00879	14.8
83.01382	2.6
85.02965	5.8
86.03282	0.7
87.00896	1.7
89.02444	19.5
95.01353	1.3
98.19923	1.0
99.00916	1.0
101.02451	13.0
109.02929	2.4
111.59798	0.7
113.02464	8.3
117.03538	0.6
119.03504	9.6
121.02923	0.8
125.02400	0.8
125.06057	1.4
133.03011	0.6
135.04529	1.7
145.02921	2.4
148.65045	0.7
153.38069	0.7
159.04526	1.0
161.02402	1.2
161.04561	2.1
163.04095	1.4
175.04039	0.7
179.05647	1.4
185.06046	0.7
193.12367	0.7
211.13429	5.6
229.05095	1.2
229.10818	1.0
229.14415	11.1
237.07568	1.7
245.04500	1.0
263.63019	0.8
349.15192	1.5
373.18719	3.2
391.19754	100.0
392.20139	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	391.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35489	0.9
55.01884	2.1
57.03447	2.2
58.00586	0.9
59.01384	100.0
60.01717	2.2
62.11715	0.8
67.09627	1.0
71.01387	41.6
71.59924	0.9
72.01743	0.9
72.02150	0.9
72.99303	2.1
73.02948	18.2
75.00887	6.0
83.01384	5.3
85.02956	12.1
87.00874	10.1
89.02450	14.6
92.83721	0.9
95.01410	2.4
97.02972	2.0
98.20696	2.2
99.00887	4.6
101.02448	30.3
113.02454	12.9
113.64336	1.2
116.05099	1.4
119.03533	5.6
119.05003	5.1
125.02458	1.4
128.16943	0.9
133.01375	1.1
133.06651	1.0
136.40631	0.8
137.47446	0.9
141.09222	20.2
142.09509	1.3
143.03473	1.9
143.10767	4.5
145.02940	1.5
153.12813	1.6
158.06137	1.1
159.03018	2.0
161.04553	13.2
169.12302	2.3
173.57109	0.9
177.05522	2.2
177.09157	1.0
179.05528	1.1
185.11909	1.2
187.13417	2.0
198.91652	0.9
200.07204	3.6
202.05104	1.9
202.14267	0.9
244.06134	2.7
253.05038	0.9
260.73859	1.0
293.04626	1.7
294.05219	1.4
301.16858	1.1
331.11386	1.7
331.17590	10.7
349.18665	32.7
350.19058	3.6
363.12329	0.9
391.12222	4.8
391.19720	8.4
391.27240	1.8
392.19940	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42346	0.5
52.42607	0.5
55.01871	0.9
56.07071	0.5
57.03451	0.6
59.01384	100.0
60.01726	1.7
70.37683	2.0
71.01394	12.7
72.99319	0.8
73.02954	3.0
75.00876	6.5
83.01388	1.1
83.63258	0.5
85.02974	4.2
89.02454	9.8
95.01382	0.6
99.00883	0.8
101.02450	9.7
113.02454	4.8
119.03503	3.8
143.03514	1.2
161.04546	2.9
179.05687	1.4
302.38998	0.5
331.17715	0.8
373.18680	0.8
391.12048	0.9
391.19257	8.9
391.23642	3.3
392.20117	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48838	1.8
57.03449	14.4
57.28817	1.8
59.01378	15.5
61.98819	3.1
63.88254	2.1
68.93260	1.9
69.00915	1.8
69.46925	16.8
72.35464	1.9
73.50867	1.8
75.00877	6.7
81.03433	3.8
83.01376	6.6
83.05042	3.0
85.02947	3.7
93.03451	2.3
95.01375	4.9
95.05060	2.5
97.02957	6.2
101.02406	3.0
107.04970	2.4
108.77415	1.9
109.02952	3.0
111.00868	3.2
113.02412	3.0
119.05051	1.9
121.02935	4.6
121.06612	2.3
125.02456	13.3
126.02837	2.1
135.00002	1.9
151.72415	2.2
165.52267	2.0
167.14426	6.7
179.14394	4.8
207.17537	2.4
217.16063	2.6
219.17520	6.2
221.15370	6.3
235.17023	4.0
237.18643	2.4
245.15334	2.3
251.16476	3.1
261.18488	14.2
263.13928	2.6
263.16443	15.7
265.14432	8.4
275.20111	2.4
279.19650	7.1
281.17697	4.6
285.18680	3.4
287.16397	4.0
295.15475	2.5
303.19635	19.2
305.17578	25.6
306.17929	5.3
307.15588	12.7
323.18686	11.7
329.17523	15.3
347.14484	4.1
347.18643	76.7
348.18985	10.5
349.16577	21.2
350.16867	2.4
373.16623	25.6
374.17200	2.2
391.17575	100.0
392.17783	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	391.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02257	0.7
57.03177	1.4
57.03452	16.8
59.01379	7.6
69.03481	0.9
69.37040	0.7
69.66193	4.9
71.01392	0.8
75.00872	1.4
81.03462	53.2
82.03799	1.4
83.01388	5.6
83.05042	1.5
95.05013	0.8
97.06588	2.4
98.19936	1.1
99.04523	0.7
101.02444	0.9
107.05050	0.8
113.02451	0.7
119.05011	0.9
123.04504	2.5
125.02453	100.0
125.09698	0.7
126.02814	4.2
141.46756	0.8
153.12869	1.4
179.13235	0.7
179.14464	9.1
181.12384	3.5
193.16010	2.0
197.15488	1.7
203.14410	7.6
219.17497	4.6
221.15474	17.3
221.17485	1.4
223.13443	2.0
229.18144	1.5
237.18625	1.0
243.17509	3.8
245.15462	2.8
247.13388	2.2
261.18573	4.3
263.16446	2.1
265.14459	59.3
266.14825	4.8
285.18530	3.1
287.16547	2.7
289.14438	2.4
303.19598	2.3
305.17636	3.5
329.17566	10.0
336.00937	0.8
347.18613	14.7
348.18900	1.4
373.16577	21.2
374.16901	2.5
391.17596	17.6
391.23233	4.8
392.17941	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	389.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05140	6.3
58.75838	5.7
59.01380	100.0
70.20451	22.4
86.75652	6.0
126.30521	5.7
156.55589	5.7
160.24771	5.8
170.91922	6.2
174.97511	7.7
341.62592	6.8
402.34027	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	391.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.7
57.03444	0.8
59.01383	14.7
70.35013	1.3
71.01386	7.6
73.02949	4.8
75.00875	5.7
83.01401	1.1
83.05017	0.5
84.88020	0.4
85.02959	3.3
87.04521	2.0
89.02445	1.6
89.39854	0.4
93.03485	0.4
95.01386	0.7
95.05049	1.3
97.06591	3.7
99.00893	0.4
101.02459	7.5
102.13591	0.4
109.02984	0.5
113.02444	2.8
119.03513	1.0
119.05084	0.7
121.06597	0.7
123.08170	14.7
124.08501	0.8
125.09729	36.9
126.10076	1.9
139.07652	1.6
143.03499	0.4
143.10808	2.9
145.02986	0.6
154.51105	0.4
161.02472	0.6
161.04539	2.3
164.79376	0.4
169.08711	6.9
170.09155	0.4
187.09764	100.0
188.10117	6.7
201.11293	4.8
229.10809	5.0
229.14424	0.6
280.04007	0.4
335.06012	0.4
361.94742	0.4
373.18613	0.4
391.19391	6.7
391.23938	2.5
391.27478	0.7
392.20020	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.1
57.03449	1.6
58.00582	0.6
59.01382	17.8
69.03413	0.6
71.01388	8.0
73.02950	4.4
75.00877	7.8
76.33021	0.4
83.01402	1.9
85.02949	3.5
87.00912	0.5
87.04523	1.8
89.02438	2.8
95.05023	0.9
97.06596	3.3
98.20641	1.8
99.00883	1.3
101.02449	7.6
109.02946	0.5
113.02450	2.7
119.03502	0.7
121.06605	1.0
123.08163	13.1
124.08500	1.1
125.09726	39.6
126.10113	2.4
135.04532	0.8
139.07634	1.9
141.09375	0.6
143.03522	0.5
143.10782	2.8
160.23062	0.5
161.04568	2.7
169.08705	9.6
170.08981	0.6
187.09758	100.0
188.10118	6.5
201.11336	4.6
202.11505	0.7
229.10818	5.2
229.14227	0.6
317.04382	0.5
331.17679	0.6
349.19073	0.5
373.18680	0.7
391.12122	0.6
391.19321	9.0
391.23889	3.3
392.19986	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2545
Annotation	bhos#24
Peak:m/z	Relative Intensity
54.49972	0.3
55.01851	0.4
57.03452	4.5
58.00603	0.5
59.01384	17.3
61.98833	0.4
69.03453	1.3
71.01387	5.0
71.05039	0.6
71.61369	0.5
72.99315	0.6
73.02953	3.1
75.00883	2.2
78.71231	0.3
79.58222	0.4
83.01394	0.9
83.05042	0.6
85.02962	1.2
87.00858	0.5
87.04530	0.4
89.02473	1.7
93.03484	1.1
95.05015	0.8
97.06596	3.2
99.00868	0.5
99.04498	0.6
101.02442	3.7
102.17847	0.4
109.06599	0.5
111.08180	2.4
113.02457	1.4
113.09750	1.7
119.03511	0.4
119.05027	0.6
123.08173	6.3
125.09754	0.6
127.11287	2.5
137.09721	4.8
141.09229	1.5
152.08409	0.8
153.09235	1.4
153.12859	1.9
154.17549	0.4
155.10797	5.3
161.04555	0.8
170.09531	0.5
171.10298	0.9
183.13876	0.6
185.11798	3.5
187.09874	0.5
201.11330	6.6
201.14972	3.8
202.11696	0.6
217.14467	0.6
227.16603	0.5
230.15190	1.2
235.17169	0.6
256.59619	0.4
261.18472	2.6
267.19852	0.4
307.22784	3.7
308.23022	0.6
325.23730	0.7
329.23123	0.6
347.17078	0.8
359.65948	0.5
371.24371	1.5
372.24445	0.5
389.25488	100.0
390.25864	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	389.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.4
57.03450	4.8
59.01382	14.8
61.99768	0.4
65.84375	0.4
69.03450	1.3
71.01387	4.9
71.21858	0.6
71.22204	1.0
73.02947	3.8
75.00876	1.8
83.01408	1.0
85.02953	1.3
87.04499	0.5
89.02444	1.6
93.03450	0.5
95.05042	0.7
95.46085	0.4
97.06585	3.4
99.04510	0.7
101.02451	3.3
111.08161	2.0
113.02449	1.1
113.09734	1.5
119.03523	0.7
119.05042	0.6
123.08161	6.2
125.09730	1.2
127.11304	3.7
135.04536	0.6
137.09738	5.1
141.09203	1.8
152.08418	1.0
153.12834	1.9
155.10783	6.5
161.04588	1.1
167.10803	0.5
170.09464	0.6
171.10287	0.8
183.13864	0.5
185.11842	3.6
186.12088	0.4
187.09795	0.5
201.11301	5.9
201.14948	3.4
229.14417	0.7
230.15227	1.8
261.18533	2.0
265.21741	0.6
281.20938	0.6
294.86038	0.4
296.10229	0.6
307.22824	3.8
308.23157	0.7
325.23810	1.0
343.25122	0.5
347.24481	0.6
371.24435	2.0
389.25476	100.0
390.18295	0.6
390.25815	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	389.2336
Annotation	7beta-Hydroxy-corymbi-8(17),13E-dienolide
Peak:m/z	Relative Intensity
69.31447	1.2
70.42204	0.2
117.03477	17.0
118.03804	0.7
118.81155	0.2
119.05032	7.8
120.05339	0.3
121.02934	0.8
123.04500	0.3
133.02921	0.3
137.20757	0.1
145.02962	100.0
146.03307	5.8
146.04472	0.2
163.04018	4.8
164.04407	0.3
197.19124	0.8
225.18471	0.2
243.19650	9.3
244.20067	0.7
303.23141	0.2
336.16766	0.1
371.22159	1.3
372.22592	0.2
382.67130	0.2
389.23367	23.1
390.23721	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	389.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41040	26.9
59.01382	57.4
70.13075	96.0
75.24445	30.8
111.22211	30.3
130.17940	38.2
135.85649	30.1
165.30067	32.1
165.99139	33.0
200.30717	33.3
204.51028	31.9
250.72624	30.4
251.91924	30.5
280.39990	34.1
345.20413	34.1
389.19531	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	389.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98817	3.6
67.75186	2.5
69.78399	12.6
76.16263	2.2
76.21182	2.4
83.01375	3.6
115.61765	2.2
125.02423	3.7
151.18483	2.0
160.07674	2.4
172.84764	2.2
195.17506	3.7
219.17622	3.0
259.20630	4.1
260.21024	2.1
261.18481	2.3
279.29379	2.9
287.33185	2.4
301.21732	4.2
301.25226	2.9
303.19824	2.9
304.19379	2.9
345.20633	7.0
345.24316	4.5
357.80698	2.3
366.67987	2.3
389.19562	23.7
390.23242	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	389.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92485	0.7
53.99235	0.6
55.01884	3.8
57.03448	3.1
58.00600	4.0
59.01383	100.0
60.01712	1.5
69.03465	0.8
71.01385	79.5
71.61641	0.9
72.01729	1.9
72.99303	5.0
73.02951	15.6
73.03345	1.2
75.00883	6.9
83.01392	8.4
85.02440	1.3
85.02955	27.1
86.03279	0.9
87.00890	3.6
89.02451	57.0
90.02786	1.4
91.02838	0.7
95.01397	4.9
97.02964	1.3
99.00854	4.8
101.02448	58.9
102.02784	2.2
109.02972	4.7
111.00913	1.3
113.02454	30.7
114.02798	1.6
119.03513	26.9
120.03870	1.1
121.03008	0.8
125.02480	1.4
129.01917	0.9
131.03534	2.6
135.04562	1.4
137.02469	1.7
138.02910	0.6
143.03548	3.1
145.02956	1.3
147.04587	1.0
149.02458	0.7
149.04607	2.0
158.03827	0.8
159.03032	2.0
159.04529	0.8
161.02499	1.2
161.04578	14.2
161.05876	1.2
175.03970	0.7
179.05650	3.7
185.11842	6.1
217.05113	2.2
227.16458	0.9
238.17343	0.7
243.00638	0.7
267.06628	1.0
279.06631	1.1
295.06281	1.3
301.10791	0.8
313.07281	0.7
327.08975	2.6
329.16110	8.4
330.16666	1.5
347.17142	12.3
348.17584	2.2
389.10657	1.6
389.18192	18.9
389.22101	19.0
390.18594	2.7
390.22302	2.4
399.10483	0.8
411.79138	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1972
Annotation	Pregomisin
Peak:m/z	Relative Intensity
57.03452	5.8
59.01375	1.5
61.29808	0.4
65.00326	2.0
68.99843	0.3
69.03470	0.4
70.55392	0.4
76.48009	0.3
77.05486	0.3
79.05541	0.7
81.03473	4.8
83.01390	9.9
83.05045	0.6
98.20644	0.8
109.02972	0.5
120.05814	0.5
121.06595	1.2
123.04523	3.7
125.02451	11.2
126.02812	0.4
133.06584	2.4
135.04530	1.9
137.02449	0.4
145.06593	0.8
146.07343	0.6
148.52153	0.4
195.17546	11.4
196.17871	1.0
203.14458	0.5
217.19579	1.8
219.17542	14.9
220.17856	1.1
228.27988	0.4
231.17561	0.5
235.20663	9.8
236.20985	1.1
237.18683	1.5
243.17497	0.8
244.17790	0.3
245.19115	0.4
253.21727	1.3
257.19141	0.6
259.20676	30.6
260.20969	3.7
261.18600	12.1
262.18976	1.4
273.22275	3.4
277.21771	3.8
278.22150	0.5
279.19635	1.4
283.20676	0.7
285.18607	0.6
287.16681	0.5
301.21713	19.5
302.22098	2.2
303.19662	12.2
304.19943	1.7
305.17548	3.5
306.18002	0.6
321.20694	6.7
322.21121	0.5
327.19647	0.8
329.17719	0.8
338.06421	0.5
345.20709	35.2
346.21100	5.3
347.18665	4.5
348.18896	0.6
389.19708	100.0
390.20047	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	389.2183
Annotation	Sedumoside D
Peak:m/z	Relative Intensity
55.01886	6.0
57.03452	4.2
58.00595	4.9
59.01385	100.0
59.53897	0.7
60.01717	1.4
62.10438	0.7
65.58504	0.6
68.99837	0.6
69.03457	1.0
71.01389	99.4
72.01718	1.7
72.99313	4.2
73.02952	21.3
75.00889	1.5
76.07761	0.6
81.03472	0.8
83.01395	10.4
84.70321	0.5
85.02958	34.8
86.03297	0.6
87.00885	4.9
89.02453	55.7
90.02791	1.5
95.01385	7.0
97.02969	1.3
99.00892	9.6
101.02452	78.2
102.02795	2.3
111.00886	1.3
113.02459	38.4
114.02829	1.0
115.04096	0.7
119.03518	20.1
120.03900	0.8
125.02453	3.1
129.01933	1.7
131.03465	1.4
134.52948	0.8
143.03503	6.6
149.04596	1.3
159.02992	10.2
161.04565	45.7
162.04916	2.0
167.78189	0.8
173.10599	0.6
179.05653	4.3
205.03514	1.1
229.48129	0.9
389.21793	65.2
390.22089	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	389.1818
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01875	0.9
57.03448	1.1
58.00613	0.5
59.01382	60.7
60.01725	0.6
69.57246	2.2
71.01386	9.5
72.01736	0.4
73.02946	2.7
83.01384	1.9
84.89204	0.4
85.02946	3.9
87.00896	0.4
87.05919	0.4
89.02435	4.1
99.00887	1.7
101.02447	8.9
101.03089	0.7
109.02973	0.4
113.02480	3.5
119.03497	1.3
128.09404	0.4
148.80585	0.4
151.67276	0.4
159.03047	0.6
161.04570	1.1
285.94409	0.4
329.16129	0.8
371.16971	1.1
389.18161	100.0
390.18521	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	389.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12646	0.7
57.03457	1.4
59.01383	100.0
60.01728	1.0
66.84254	0.7
71.01398	6.0
71.61064	0.7
73.02958	3.7
74.30275	0.7
75.00877	3.7
81.03451	1.3
83.01413	1.9
85.02965	3.2
88.24977	0.8
89.02471	2.5
93.03456	1.0
95.62365	0.7
101.02451	3.8
109.02987	0.8
113.02480	3.2
119.05031	11.1
121.02920	1.3
134.06120	2.2
135.04608	1.1
136.07693	2.1
138.09320	1.0
161.04593	2.0
162.05618	6.7
163.02795	1.2
163.03972	6.0
227.07158	4.7
276.75146	0.9
283.13571	2.1
293.61530	1.5
301.14392	0.9
329.23495	1.4
345.17209	1.8
347.20844	1.5
347.24606	3.3
359.24176	0.8
362.18948	1.6
380.19919	1.8
389.17047	1.1
389.21634	1.3
389.25552	7.1
390.26135	1.4
406.17813	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.161
Annotation	Sphaerocephalin
Peak:m/z	Relative Intensity
57.03455	12.2
58.04738	0.4
59.01390	4.4
65.00336	1.8
70.76183	1.0
78.98239	0.4
79.05547	1.1
81.03468	9.1
82.03790	0.5
83.01399	5.5
83.05029	0.7
91.04020	0.7
96.27637	0.5
97.06617	0.6
99.20755	0.6
107.01436	0.8
121.06594	3.8
122.03769	0.6
123.04539	11.5
124.04872	0.5
125.02457	100.0
126.02789	3.4
133.06584	1.4
135.04536	1.2
135.08229	0.5
147.04530	1.3
149.02419	2.3
151.00392	1.3
153.12872	3.5
165.05589	2.4
167.03482	1.9
173.36365	0.4
177.12872	5.5
179.37210	0.5
193.15955	0.9
195.13892	1.2
197.06458	0.4
197.19157	0.8
217.15991	8.0
219.13904	10.5
220.14250	1.0
231.17577	1.2
235.17026	1.3
240.99060	0.5
243.19652	16.0
244.19977	1.4
259.17041	13.5
260.17377	2.1
261.14981	9.9
262.15219	1.1
263.12811	5.6
264.13266	0.9
277.18155	1.7
283.17184	1.1
285.14975	3.7
286.15344	0.7
301.18140	7.3
302.18524	0.7
303.16019	7.9
304.16415	0.7
305.13950	3.6
306.14227	0.5
321.16983	2.2
329.13846	0.9
345.17087	17.4
346.17343	3.2
347.14978	3.4
389.16077	69.9
390.16409	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
57.03458	3.9
57.23231	0.6
58.00584	1.7
59.01381	66.1
60.01720	1.5
65.07895	0.7
66.79791	0.8
69.03448	1.2
69.40331	3.5
69.40759	2.9
71.01384	34.4
72.99294	2.1
73.02950	19.5
74.55379	0.7
75.00882	2.3
83.01405	7.6
85.02956	11.7
86.00088	1.2
87.00887	4.8
89.02455	10.0
95.01410	2.4
97.02996	0.9
98.20592	1.3
99.00874	2.3
101.02447	22.9
104.87081	0.8
111.00905	0.9
113.02454	10.2
119.03500	3.1
123.08170	1.5
125.02442	2.4
125.09696	0.8
131.03487	0.8
143.03516	1.5
154.12109	0.9
159.02917	1.0
161.04544	3.6
167.10767	11.5
171.10286	1.0
177.62724	0.8
185.11842	16.6
186.12257	1.0
191.41704	0.9
227.16541	1.5
294.17969	0.8
303.18127	1.2
329.16043	23.2
330.16473	3.6
347.17111	51.2
348.17523	5.2
367.43842	0.9
371.16910	1.0
389.18121	100.0
389.25610	8.1
390.18463	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	387.2027
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
55.01882	5.5
57.03451	7.1
58.00597	2.1
59.01384	46.4
68.99821	0.9
69.03462	1.0
70.03483	2.4
71.01387	100.0
72.01727	2.1
72.99310	2.7
73.02953	27.9
74.03281	0.9
74.58492	0.6
75.00883	5.2
77.01317	0.6
81.03467	0.7
83.01394	13.4
85.02956	43.3
86.03314	1.0
87.00890	3.8
89.02452	22.1
95.01391	7.0
97.02959	1.9
99.00885	12.1
101.02451	66.9
102.02785	1.6
109.02935	2.2
111.00852	0.8
113.02458	40.8
114.02782	1.2
119.03516	7.0
121.59514	0.5
125.02449	2.3
129.01941	2.1
131.03497	1.6
135.04492	0.6
137.09726	2.0
143.03520	4.5
145.02927	0.8
149.04541	0.6
159.03003	11.2
159.04222	0.5
161.04567	44.1
162.04886	1.5
179.05629	1.5
189.12851	3.2
205.03555	0.9
207.13947	0.9
218.07008	0.5
225.11305	1.5
225.14948	5.8
226.15300	0.6
265.08615	0.7
267.09265	1.0
311.05423	0.6
349.31525	0.6
387.20270	26.3
388.20358	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	387.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77013	6.4
57.98796	5.7
59.01375	100.0
61.98833	14.9
64.20322	5.7
65.46758	6.4
70.28812	7.5
70.29158	20.8
70.97688	5.3
73.12931	6.7
111.91264	6.4
261.84564	6.3
343.26318	10.2
387.25586	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.089
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73800	1.3
59.01384	9.8
61.98837	100.0
69.37970	1.8
69.38377	8.3
71.01396	3.4
73.02943	1.9
75.00871	10.6
85.02946	1.8
89.02459	1.5
101.02410	2.5
106.06618	1.5
109.02946	8.0
113.02449	1.8
119.03490	1.4
121.02943	2.0
123.04565	1.5
135.04527	7.1
147.00902	1.2
149.02443	3.7
150.05704	1.2
154.03169	1.3
159.04489	1.4
161.02481	2.7
165.05537	1.5
185.02496	6.3
186.35088	1.4
225.04086	2.2
226.06348	3.2
226.08484	1.4
267.06711	2.8
279.06845	1.8
295.06158	8.1
313.07352	1.9
389.10306	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	387.2028
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
51.30461	0.4
54.52748	0.4
55.01883	7.3
57.03452	6.4
58.00607	3.1
59.01385	63.6
60.01712	1.2
60.15783	0.4
68.10313	0.4
68.65408	0.5
68.99834	0.5
69.03454	1.1
69.57190	2.6
71.01388	100.0
72.01721	1.5
72.99309	4.1
73.02955	26.3
74.03261	0.6
75.00883	6.1
81.03478	0.8
83.01395	12.3
84.02181	0.9
85.02959	43.8
86.03308	1.0
87.00893	4.2
89.02452	43.2
90.02808	0.8
93.03469	1.4
93.67619	0.5
95.01394	7.6
97.02962	2.2
99.00880	12.4
101.02452	71.0
102.02784	1.8
109.02966	4.2
110.03263	0.6
111.00908	0.9
113.02455	43.7
114.02791	1.4
114.96687	0.5
117.03460	0.5
119.03509	13.0
119.04932	0.8
121.02989	0.7
125.02483	1.9
129.01938	1.7
131.03522	1.4
135.04498	0.7
137.09764	2.4
139.07602	0.5
143.03529	4.6
145.02997	0.7
149.04578	0.7
159.03017	8.5
159.04314	0.5
161.04567	40.6
162.04875	1.6
163.03914	0.5
163.11244	0.7
175.03947	0.8
179.05640	2.0
180.06111	0.5
189.12854	2.4
205.03523	1.1
207.13898	0.8
225.11366	0.7
225.14951	6.1
226.15215	0.6
253.05103	0.6
253.78049	0.5
265.08780	0.9
267.09265	1.4
281.04248	0.5
299.05765	0.8
299.11258	0.5
311.05356	0.8
323.14011	0.6
387.20264	24.6
388.20721	2.9
414.98581	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23070	0.4
55.01880	1.1
57.03445	1.5
58.00600	1.5
59.01384	100.0
60.01722	1.0
60.12707	0.4
60.84467	0.3
69.03457	0.5
71.01388	22.0
71.05051	0.4
71.62402	0.4
72.01717	0.7
72.50268	0.3
72.99320	1.3
73.02952	7.5
75.00890	1.6
81.03498	0.5
83.01388	3.3
85.02959	7.9
87.00887	1.6
87.04539	0.6
87.67876	0.3
89.02454	16.5
95.01419	1.5
97.02940	0.5
99.00890	2.7
101.02451	18.2
102.02861	0.4
107.87470	0.3
113.02459	9.5
113.74615	0.4
119.03516	7.3
119.05033	0.5
125.02463	3.6
127.11321	0.7
131.03517	0.7
133.02998	0.7
139.07683	0.4
143.03535	1.9
149.04585	1.0
159.03018	0.6
161.04567	5.9
165.12930	1.1
179.05606	3.5
183.10327	1.3
191.92545	0.4
194.51332	0.3
197.15463	0.4
199.04054	0.6
240.17297	0.4
255.17665	0.5
277.21719	0.4
299.16568	0.4
327.18280	0.7
327.21954	0.5
332.49030	0.4
341.23517	0.8
345.19171	14.7
346.19745	1.5
387.09271	0.7
387.14352	1.7
387.20129	3.3
387.24139	11.6
387.28436	0.7
388.14423	0.4
388.20264	0.7
388.24533	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2027
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
55.01884	5.5
56.23772	1.0
57.03453	6.1
58.00592	1.7
59.01385	54.1
67.01910	1.0
68.99833	1.3
69.59622	6.2
71.01390	100.0
72.01727	2.0
72.99325	3.4
73.02956	32.4
75.00867	4.0
75.16364	0.9
83.01391	12.7
85.02959	42.6
86.00125	2.6
86.03270	1.4
87.00881	15.0
89.02457	22.3
95.01375	7.6
97.02972	2.7
98.64104	1.0
99.00896	13.0
101.02451	66.6
102.02785	2.0
111.00895	2.0
113.02459	44.1
119.03508	8.6
119.05065	2.7
123.11325	1.1
125.02489	1.5
129.01930	1.9
131.03508	1.0
135.04523	4.0
143.03510	5.4
149.04532	1.0
159.03014	11.1
161.02423	2.2
161.04570	57.0
162.04889	2.0
163.03983	1.3
163.11346	6.6
179.03549	1.8
181.12413	1.4
183.18658	1.1
201.11301	1.7
205.03494	1.9
207.13863	1.7
225.14963	1.3
227.03523	1.6
250.11653	1.0
253.14505	2.0
285.03915	1.8
286.04568	1.1
297.16998	1.1
325.16513	6.0
343.17709	6.8
343.21121	1.3
387.16501	2.6
387.20300	34.9
388.20877	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	387.2029
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
52.23070	0.4
55.01880	1.1
57.03445	1.5
58.00600	1.5
59.01384	100.0
60.01722	1.0
60.12707	0.4
60.84467	0.3
69.03457	0.5
71.01388	22.0
71.05051	0.4
71.62402	0.4
72.01717	0.7
72.50268	0.3
72.99320	1.3
73.02952	7.5
75.00890	1.6
81.03498	0.5
83.01388	3.3
85.02959	7.9
87.00887	1.6
87.04539	0.6
87.67876	0.3
89.02454	16.5
95.01419	1.5
97.02940	0.5
99.00890	2.7
101.02451	18.2
102.02861	0.4
107.87470	0.3
113.02459	9.5
113.74615	0.4
119.03516	7.3
119.05033	0.5
125.02463	3.6
127.11321	0.7
131.03517	0.7
133.02998	0.7
139.07683	0.4
143.03535	1.9
149.04585	1.0
159.03018	0.6
161.04567	5.9
165.12930	1.1
179.05606	3.5
183.10327	1.3
191.92545	0.4
194.51332	0.3
197.15463	0.4
199.04054	0.6
240.17297	0.4
255.17665	0.5
277.21719	0.4
299.16568	0.4
327.18280	0.7
327.21954	0.5
332.49030	0.4
341.23517	0.8
345.19171	14.7
346.19745	1.5
387.09271	0.7
387.14352	1.7
387.20129	3.3
387.24139	11.6
387.28436	0.7
388.14423	0.4
388.20264	0.7
388.24533	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2026
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
55.01880	6.4
57.03449	10.2
58.00603	3.2
59.01383	84.4
60.01690	1.2
61.98835	1.1
69.03448	2.1
71.01388	100.0
71.05014	1.4
72.01722	2.1
72.02123	0.8
72.99308	5.5
73.02953	25.6
75.00890	5.1
81.03461	0.9
83.01392	12.4
84.02189	1.1
85.02958	39.6
85.06599	0.7
86.03251	0.7
87.00876	4.6
89.02451	45.8
90.02776	0.9
93.03477	2.0
95.01391	6.8
97.02954	2.3
97.06631	0.7
99.00887	8.9
101.02451	72.3
102.02795	1.5
109.02962	0.9
113.02457	42.3
114.02778	1.1
114.34206	0.7
119.03513	15.2
119.05018	0.9
123.08154	1.6
125.02457	2.0
125.09714	1.2
129.01968	1.5
131.03520	2.5
135.04532	0.8
137.09746	5.5
139.07651	0.9
141.09227	0.7
143.03514	4.9
149.04552	1.5
149.09673	0.8
151.11320	2.3
153.09212	1.1
157.08588	0.8
158.93236	0.7
159.03009	5.5
161.02496	1.6
161.04561	35.1
162.04958	1.2
167.10768	0.8
169.12390	0.6
179.05623	2.9
181.12343	4.8
183.03015	0.9
183.10312	2.4
185.59311	0.9
189.12881	1.9
195.13857	3.6
199.13307	0.7
205.03548	1.2
206.09203	0.6
207.13860	3.5
225.14983	32.3
226.15402	2.7
243.16042	0.9
299.18658	1.5
305.21262	1.8
327.14459	1.1
361.54715	0.7
387.08893	1.6
387.15808	1.3
387.19702	7.0
387.24658	7.8
388.20496	1.2
388.24683	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1817
Annotation	Isodoacetal
Peak:m/z	Relative Intensity
50.34298	2.3
51.04292	1.9
57.03443	9.1
59.01380	5.5
60.45412	1.8
61.98829	4.5
65.00311	2.4
65.67233	1.7
71.60917	2.8
79.43394	2.0
79.60661	1.8
81.03469	8.1
83.01382	7.2
83.05067	2.2
110.66933	1.8
116.98531	1.7
119.95740	1.8
121.06601	3.1
123.04502	7.8
125.02460	16.5
133.06595	4.1
135.04500	7.7
137.02463	6.9
193.15964	4.1
217.15993	7.8
233.19154	6.1
257.19119	23.5
258.19458	2.8
259.17044	11.4
275.20291	3.0
299.20120	17.0
300.20374	2.4
301.18164	14.1
303.16135	3.7
319.19165	6.6
320.19611	2.1
343.19183	40.3
344.19559	6.3
345.16937	6.1
387.18118	100.0
387.25208	12.3
388.18515	12.8
388.25919	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	387.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.0
57.03450	1.8
59.01384	100.0
60.01730	1.8
71.01388	13.0
71.60706	0.6
71.61130	0.9
73.02936	4.3
75.00865	4.1
83.01398	2.6
85.02961	5.3
87.00903	1.2
89.02451	4.1
93.03502	1.1
94.77718	0.6
95.01427	1.0
95.56523	0.7
96.76028	0.8
99.00923	1.1
99.14271	0.7
101.02446	8.7
101.02987	0.8
109.02979	1.6
113.02442	5.6
113.24707	0.6
119.03539	1.2
119.05035	1.9
120.22167	0.7
132.41843	0.7
135.04526	4.7
138.09233	0.8
141.09061	0.8
143.03574	0.9
145.02995	1.2
161.02432	0.8
161.04573	4.0
163.04025	1.1
163.11224	1.1
179.03529	2.2
181.06645	0.8
181.12370	1.4
183.04605	0.9
217.10934	0.9
225.05592	7.5
225.11333	3.1
227.03555	2.0
227.07201	1.3
228.07317	0.9
238.12976	0.7
255.03110	2.6
256.03461	1.5
284.03394	1.6
285.03897	3.4
286.04288	1.4
295.60464	1.2
297.17206	1.4
304.60779	1.9
315.18390	2.3
321.07651	0.7
345.19424	2.1
387.20139	2.6
387.24344	6.9
388.24637	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	4.2
55.81081	0.6
57.03456	7.0
58.00599	1.8
59.01383	90.9
60.01717	1.7
61.85640	0.7
61.98847	1.6
62.25162	0.5
68.99821	1.6
69.03459	1.7
70.60114	0.6
71.01387	100.0
72.01721	2.4
72.99315	2.6
73.02950	17.2
75.00877	7.2
81.03464	1.4
83.01395	8.7
83.05034	1.1
84.02181	1.3
85.02957	56.3
86.03287	1.9
87.00874	4.7
89.02448	30.6
93.03465	2.6
95.00794	1.0
95.01398	16.2
95.05022	1.6
97.02950	1.9
98.20635	1.7
99.00896	9.7
99.04540	0.9
101.02448	29.8
109.02975	10.5
109.06564	1.0
110.03288	1.7
112.01694	0.8
113.02458	86.5
114.02847	3.0
119.03502	8.7
119.05020	1.8
121.02956	1.3
121.06564	1.5
123.04493	0.7
125.02431	2.4
125.06107	0.6
125.09720	0.8
131.03514	1.7
133.02995	0.7
135.04523	2.1
135.08159	2.7
137.06125	1.1
137.09737	0.9
139.00313	1.0
139.07664	5.6
140.04785	0.9
143.03560	3.0
153.09222	22.5
154.09592	1.1
161.02390	1.6
161.04558	11.6
163.03928	1.0
163.11295	15.4
164.11594	0.8
167.01660	0.7
171.10234	1.2
175.03893	0.8
179.05632	0.6
181.08745	5.2
181.12206	0.7
182.09013	2.7
183.09161	2.6
203.88309	0.8
207.10280	3.0
207.13800	0.9
209.11780	4.8
225.11349	1.3
225.14948	1.4
243.15994	15.9
244.16261	1.0
255.56532	0.7
265.08359	0.7
267.06628	0.8
309.58240	1.1
310.04703	0.7
311.05429	2.8
315.14590	3.2
325.06891	0.7
329.09415	1.0
369.19711	0.7
387.16437	61.8
387.20407	9.7
388.09235	0.9
388.16574	7.1
388.21075	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1664
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
53.87815	0.6
56.01295	0.6
57.03416	0.5
58.00597	1.0
59.01385	73.7
60.01727	1.0
60.44061	0.5
61.38462	0.5
63.76879	0.5
68.48994	0.6
70.30010	2.3
71.01389	17.9
71.22127	0.5
72.99294	1.5
73.02960	1.3
76.06402	0.6
83.01395	1.3
85.02966	4.3
85.03421	0.8
89.02448	15.8
95.01385	1.8
101.02453	11.8
113.02451	6.8
114.04508	0.7
119.03513	6.1
127.80004	0.6
131.03439	0.7
161.04550	0.6
163.11272	3.9
181.00795	0.7
184.96043	0.6
207.10284	14.9
208.10629	1.5
246.21294	0.7
369.15649	0.8
387.16617	100.0
388.16977	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	387.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.7
56.32914	0.6
57.03467	0.6
58.00600	1.6
59.01386	79.8
60.01729	0.8
61.93690	0.5
65.32768	0.5
65.87627	0.5
69.82129	0.9
69.82537	1.9
71.00997	0.8
71.01389	17.0
72.99318	1.2
73.02937	0.6
75.00884	2.4
80.24538	0.5
82.60580	0.5
83.01392	1.1
85.02966	4.0
87.00943	0.6
89.02453	16.7
95.01414	1.4
101.02451	10.3
101.03075	0.7
113.02461	6.6
119.03524	5.5
135.04572	0.8
143.03484	0.5
151.03986	3.7
161.04564	0.6
163.11317	6.8
179.05638	0.6
207.10280	14.8
208.10547	1.0
225.11256	0.7
387.16617	100.0
388.16995	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	387.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.8
55.55512	0.5
57.02118	0.4
57.03460	1.0
58.00598	2.4
59.01383	100.0
60.01719	1.5
63.73697	0.4
69.03476	0.6
69.38348	1.7
69.38767	2.8
71.01386	45.2
72.01726	1.1
72.99309	3.2
73.02952	29.1
75.00865	2.8
81.03443	0.6
83.01395	8.5
83.04940	0.6
85.02959	11.6
86.03340	0.6
87.00900	1.6
87.85995	0.5
89.02449	23.2
90.02737	0.6
95.01402	2.5
97.02974	0.7
98.19822	0.8
99.00899	2.0
101.02448	35.7
102.02780	0.9
113.02456	16.2
114.02760	0.7
119.03513	10.3
119.04987	3.2
120.05349	0.5
121.10241	7.6
125.02479	1.1
131.03516	2.5
135.04555	0.7
143.03548	2.7
145.02969	1.2
146.03291	0.6
149.04578	1.1
151.45694	0.4
155.03461	0.7
159.02994	0.7
161.04570	6.5
163.04068	1.0
163.11304	1.2
165.09181	3.2
165.60754	0.5
179.05573	1.5
183.10231	1.2
207.10236	4.3
225.15071	0.8
271.02438	0.8
272.03009	0.5
301.02966	0.6
301.16547	1.6
327.14471	2.7
345.15555	4.4
346.15970	0.8
387.16553	44.6
388.16861	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	386.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41121	1.0
56.31538	1.0
59.01366	1.0
60.14851	0.9
61.98835	100.0
63.59579	1.0
69.13274	0.9
71.41311	1.0
71.41647	1.1
91.05565	0.9
109.96789	1.0
180.07440	0.8
279.23346	2.2
323.22226	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1664
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
50.44345	0.5
55.01879	2.1
57.03450	1.7
58.00601	1.8
59.01384	100.0
60.01717	1.2
63.75132	0.5
71.01389	40.8
72.99309	2.1
73.02954	26.0
75.00874	3.0
83.01394	10.4
83.19120	0.5
85.02950	8.9
87.00879	1.7
89.02451	25.0
95.01382	2.2
99.00889	1.7
99.04534	0.6
101.02453	36.0
102.02796	1.1
109.02994	1.2
109.06490	0.5
113.02458	13.8
119.03526	8.7
119.05017	2.4
121.10242	6.8
125.02444	1.6
131.03505	1.7
135.04684	0.6
143.02519	0.6
143.03510	3.3
145.02925	1.1
149.04495	1.1
159.02940	0.7
161.04565	7.0
163.04019	1.2
163.11211	1.0
165.09186	3.3
169.67635	0.6
170.30814	0.6
179.05649	1.7
183.10239	1.1
207.10257	3.8
224.43668	0.5
225.14937	0.8
269.92758	0.6
270.09723	0.8
271.02365	1.0
301.16620	1.7
327.14572	1.9
345.15720	3.4
345.42612	0.6
386.59445	0.9
387.16541	39.8
387.20303	1.6
387.28488	1.1
388.16876	5.5
402.28711	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.2
56.86758	1.4
59.01382	97.5
60.01707	5.5
60.02007	1.7
61.01807	2.2
69.03417	1.4
69.74928	2.9
69.75326	6.3
71.01394	15.9
72.99295	1.8
73.02953	4.1
75.00864	6.8
83.01392	2.5
85.02970	6.1
87.04510	2.0
89.02441	11.6
100.28869	1.6
101.02455	9.2
106.73103	1.6
109.06580	1.9
113.02472	14.0
119.03534	4.8
119.05025	11.8
120.05331	4.6
125.06090	2.1
133.10229	2.9
135.04462	1.5
135.11821	19.4
136.12109	1.5
145.02946	7.2
156.50455	1.7
159.08144	3.1
159.11772	2.8
161.04555	2.4
161.09717	17.3
162.09958	1.7
163.03992	2.6
164.53807	1.7
177.12910	2.2
179.10779	100.0
180.11095	6.3
203.10783	6.3
204.11107	1.5
205.08754	1.5
221.11703	2.4
223.09773	53.2
224.10152	2.5
263.92270	1.8
265.10782	5.6
300.56543	1.5
327.08582	1.5
384.37579	1.6
385.14920	5.1
386.11060	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	385.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.8
56.78804	0.9
57.03454	18.0
59.01094	1.5
59.01380	24.1
66.06518	0.8
69.03477	1.1
69.39144	2.1
69.39554	5.9
70.85357	1.1
71.01385	3.8
71.05034	2.0
71.73830	0.8
72.99285	1.2
73.02934	1.5
75.00881	5.6
83.01398	1.3
83.05025	2.2
85.02982	1.3
85.47520	0.8
89.02470	4.0
91.04029	2.4
93.03446	1.4
97.02975	1.0
97.06592	1.7
99.82488	1.0
101.02443	1.9
106.39777	0.9
109.06628	0.9
110.53913	0.8
111.08182	0.9
113.02457	1.8
114.41605	0.8
119.05055	2.2
122.10887	0.9
140.68156	0.9
145.03000	1.7
153.12848	1.2
163.11258	1.2
165.12788	6.6
173.61708	0.9
177.12842	1.0
179.14415	8.0
181.12431	1.9
181.16006	12.6
183.13895	1.8
193.15979	1.4
195.13647	1.1
195.17496	1.8
197.15434	10.1
198.15788	1.0
203.14439	2.4
205.15945	5.2
207.13947	2.8
221.15479	10.2
223.13701	1.5
223.17050	35.2
224.17377	3.2
225.14960	13.8
226.15300	1.8
228.71408	0.9
229.06239	1.0
233.70274	0.9
239.16460	5.0
243.16052	7.0
249.14929	2.1
251.12901	2.3
265.08826	1.6
265.14471	4.5
267.16013	47.6
268.16403	5.3
293.13937	7.0
303.10986	0.9
311.15005	100.0
312.15320	12.1
327.08759	1.4
385.18710	62.6
385.26288	4.6
386.19092	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13538	0.7
57.03437	2.0
59.01382	100.0
60.01718	0.9
69.38719	0.8
69.95442	0.8
71.01373	2.3
73.02949	0.9
75.00877	6.7
83.99292	0.8
85.02952	2.2
87.00868	3.3
88.80270	0.7
93.03464	1.1
98.20618	2.9
101.02448	0.9
113.02447	2.7
117.03480	1.5
119.05035	8.9
119.71472	0.7
119.94630	0.7
125.09720	0.8
135.08090	1.0
145.02957	21.5
146.03265	0.9
161.09785	0.7
163.03999	4.2
164.21501	0.8
171.10226	4.0
179.10733	2.5
221.04590	5.2
223.09784	1.0
229.88333	1.1
235.56665	0.7
265.10779	1.8
297.13348	2.4
297.17001	5.8
298.17337	0.9
327.08932	0.8
364.09628	0.8
385.14975	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	385.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	37.2
65.58302	2.3
68.18127	2.4
71.01391	12.3
71.05025	2.3
73.02962	4.6
75.00880	22.7
83.01435	2.5
85.02966	6.3
89.02459	8.3
93.03448	5.0
95.01374	3.7
98.20712	5.8
101.02465	6.6
104.45037	2.2
109.02974	2.8
113.02455	15.6
117.03477	2.9
119.05029	15.8
121.03011	3.1
125.06160	3.0
133.03004	3.0
135.04535	37.7
135.08174	2.6
135.11824	20.4
139.64447	2.1
145.02975	9.7
147.56348	2.2
158.03769	2.9
159.04585	5.0
159.11797	3.7
161.02620	2.3
161.09747	13.8
163.03981	5.6
177.05617	4.9
179.03494	15.3
179.10780	100.0
180.11174	9.7
203.10771	4.2
221.11900	4.0
223.07599	3.1
223.09740	40.2
224.10085	3.9
226.06258	3.1
227.03497	15.5
227.07071	17.0
229.47745	2.8
239.07082	2.6
253.08557	4.2
255.02998	24.7
265.08447	10.9
265.11047	5.0
281.08127	3.4
284.03253	25.2
285.04059	17.3
304.06000	5.7
311.06723	5.1
313.14505	3.4
327.08740	4.6
364.08652	8.7
385.22122	5.0
403.04797	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	385.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16943	1.3
52.06971	1.4
58.00592	1.3
59.01384	57.8
69.40906	10.7
71.01382	12.1
73.02953	2.7
75.00874	5.1
77.34750	1.2
80.61752	1.3
85.02955	4.1
89.01989	1.2
89.02452	9.3
95.01378	2.2
98.19916	2.8
101.02452	3.9
106.04263	3.4
107.05047	2.6
107.08651	1.5
113.02464	6.3
119.05040	2.6
121.06599	6.1
135.04555	6.4
135.11795	15.9
145.02971	2.4
159.08153	1.4
159.11781	2.1
161.02417	1.7
161.04558	1.8
161.09714	8.6
162.10103	1.6
179.03516	4.0
179.10786	100.0
180.11172	5.8
203.10803	6.3
205.08742	1.5
223.09769	51.3
224.10094	3.2
227.03540	2.3
227.07103	2.9
255.03091	2.5
261.26999	1.5
265.10843	2.3
284.03278	4.3
285.04004	3.3
313.14526	3.5
385.16095	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	385.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.6
69.29844	5.2
71.01379	3.0
72.99301	0.9
74.76353	0.5
75.00877	63.7
85.02949	2.3
93.03463	27.1
94.03795	1.0
96.99310	5.3
98.20636	1.2
101.02438	1.1
109.02947	0.7
113.02407	0.7
115.00358	1.7
117.03452	1.9
119.05035	16.2
121.02963	0.7
123.04520	1.9
130.04230	1.1
131.05051	4.5
133.02945	3.6
135.04488	1.2
137.02415	0.7
143.05037	18.2
144.05412	1.3
145.02980	5.0
145.06577	2.3
147.04535	0.7
152.08424	1.1
153.09239	1.0
158.03676	0.9
158.07126	0.8
159.04527	1.6
163.04002	9.5
164.04338	0.7
171.04497	3.3
181.08701	6.1
205.12347	0.8
210.06850	2.3
211.07642	21.7
212.08006	1.7
219.07979	0.8
221.06107	0.7
221.09674	1.9
223.07700	3.1
235.07574	3.5
236.08037	0.7
237.09216	8.3
238.09535	0.8
239.10756	1.3
247.07561	0.9
250.06419	0.7
254.17976	0.6
265.08707	30.0
266.09109	3.8
283.09744	1.0
297.11063	0.8
309.07700	13.8
310.07990	2.1
327.08743	100.0
328.09109	12.8
360.02798	0.5
385.09338	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	385.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.4
58.92115	0.2
59.01379	2.6
61.98816	0.8
68.63882	0.3
71.01397	1.3
71.61236	0.5
72.99300	0.6
73.02941	0.5
75.00880	24.0
76.01195	0.5
80.38182	0.3
83.01408	0.4
83.05002	0.3
85.02988	0.4
93.03467	6.5
101.02456	1.0
107.05021	0.4
107.79076	0.3
108.02182	1.0
109.02305	0.4
109.02974	5.3
111.04526	0.5
113.02438	0.4
117.03456	0.6
119.05040	8.7
120.08176	0.8
120.12337	0.2
121.03004	0.7
122.03751	9.4
123.04578	0.3
124.01725	0.4
130.41827	0.3
131.05055	1.6
133.02943	0.6
133.06598	0.7
133.33647	0.3
135.04524	1.9
137.02441	1.2
137.06039	1.9
143.05081	1.6
145.02951	7.0
145.06645	1.4
146.03285	0.3
147.04552	0.5
154.02754	1.5
158.03754	0.5
158.07162	0.9
159.04572	1.3
161.02489	0.5
161.06073	0.4
163.04013	3.8
163.07681	0.5
171.04602	0.5
179.03529	0.3
180.06702	0.8
181.08716	100.0
182.09026	6.5
185.02429	0.5
202.06177	1.2
203.58118	0.3
205.12419	0.4
207.07939	0.3
211.07657	2.7
212.08243	0.4
217.04950	0.3
221.04503	1.4
223.04097	0.3
223.07672	1.5
231.40723	0.3
235.07710	0.4
236.04967	0.4
237.09271	1.0
239.10791	2.0
240.11021	0.4
253.05048	0.7
253.12344	0.4
255.06760	0.4
265.08713	11.6
266.09082	1.2
283.09808	0.7
283.15549	0.3
309.07623	2.5
310.04865	0.3
311.05771	0.4
327.08780	9.3
328.08981	1.5
341.10272	0.4
385.09402	2.0
385.14990	1.1
386.09509	0.4
389.08521	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63184	0.7
53.78782	0.7
57.51578	0.8
59.01394	1.6
61.98835	100.0
65.45484	0.7
75.00882	1.2
98.20370	4.2
162.97540	0.7
202.71997	0.8
235.20654	0.8
310.47906	0.8
321.20901	2.8
385.23965	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	385.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.2
65.86064	0.3
71.01404	0.5
71.34067	0.7
72.00002	0.3
72.99313	1.0
75.00879	100.0
76.01224	1.2
78.60912	0.3
93.03475	4.7
109.02962	1.1
109.06597	0.5
117.03478	2.5
119.05035	20.0
120.05381	1.2
121.02966	1.2
125.02410	0.5
131.05083	0.8
132.46768	0.3
133.02969	0.9
135.04543	1.9
137.06087	2.8
140.94919	0.3
143.05048	2.4
145.02960	20.7
145.06696	0.6
146.02188	0.3
146.03233	1.6
149.02477	0.5
150.06900	1.6
151.07661	0.8
159.04544	1.7
162.06874	2.5
163.04018	12.4
163.07640	1.3
163.29404	0.4
164.04370	1.0
171.04568	0.5
180.07947	4.6
181.05107	7.8
181.08682	4.9
208.03824	0.4
210.06911	1.2
211.04358	0.4
211.07658	8.4
212.07965	0.7
221.04562	4.5
222.04910	0.5
222.06908	0.7
223.05774	0.5
223.07809	4.2
224.08118	0.6
228.17157	0.3
235.07613	1.0
237.09232	6.8
238.09828	1.2
239.10886	1.8
253.08730	1.0
265.08722	9.3
265.11450	0.6
266.09134	1.1
276.05386	0.4
283.09790	2.9
284.10257	0.4
309.07712	3.3
327.08749	17.4
328.08975	2.5
385.09735	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00589	0.7
57.03452	9.1
59.01382	3.2
61.98832	0.9
71.01393	2.5
72.99319	1.1
75.00879	100.0
76.01230	1.1
85.02966	9.1
89.03989	1.1
93.03463	35.1
94.03799	1.5
96.99323	3.4
98.19896	1.6
104.08183	0.8
109.02969	3.7
117.03484	3.2
119.04227	1.4
119.05035	18.4
119.05891	1.2
121.02965	8.3
123.04538	2.0
131.05020	3.9
133.02968	3.3
135.04529	4.4
137.06085	2.1
138.05580	1.0
143.05031	18.9
145.02977	9.8
145.06606	3.5
147.04501	1.0
159.04492	3.3
163.04013	10.2
166.02602	1.0
171.04518	13.9
172.04916	1.3
177.05466	1.1
179.07135	13.7
181.05159	3.8
181.08696	5.6
191.17920	0.8
205.08705	3.4
210.06856	5.1
211.07648	35.3
212.07974	2.8
215.03386	1.0
219.08093	1.1
221.06142	1.2
221.09656	1.9
222.06847	3.3
223.07607	8.5
223.09770	12.1
224.08253	1.8
225.09183	1.6
235.07645	3.0
237.09180	14.1
238.09454	1.6
239.10814	5.6
249.05591	1.3
250.06390	4.3
253.12360	1.4
263.07037	1.2
265.08707	52.6
266.08997	5.6
281.08231	1.3
283.09818	4.2
291.06671	1.7
297.11346	2.8
309.07693	57.3
310.07977	6.6
327.08740	73.7
328.09048	12.2
331.39233	1.0
359.93054	0.9
371.41864	0.7
379.75284	0.8
385.09406	8.7
385.14383	1.1
386.10117	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.244
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47401	0.4
55.01868	0.6
57.03447	3.0
58.00598	0.4
59.01381	9.3
65.19865	0.5
68.99824	1.3
69.03455	1.0
71.01388	8.4
71.05022	1.0
71.62198	0.6
72.99304	0.8
73.02959	3.2
75.00871	2.6
81.03440	1.1
83.01387	1.8
85.02954	6.6
87.00893	1.1
87.04506	1.0
88.35629	0.4
89.02473	0.8
93.03497	0.5
95.01392	1.4
97.02972	0.8
97.06601	1.4
99.00895	0.9
101.02465	1.4
109.06619	0.7
111.08173	0.5
112.01692	0.5
112.27052	0.4
113.02447	5.5
119.05032	3.0
123.08192	1.9
125.02454	2.2
125.09727	4.0
127.11314	1.0
135.46367	0.5
137.09744	2.6
142.02730	0.5
143.03528	0.8
143.10835	0.5
153.09201	0.7
165.12811	2.9
167.14445	0.9
171.10274	8.9
177.05569	0.6
177.12888	1.0
181.16016	1.0
183.13928	1.0
195.13914	0.8
209.11855	0.6
209.19142	0.9
211.13518	1.0
223.13354	0.5
223.17018	0.7
227.12846	1.1
239.12929	1.5
239.16515	0.6
240.13567	0.9
247.16965	0.6
249.29474	0.4
265.18155	0.9
279.02933	0.7
293.24725	0.6
303.23257	1.4
321.24472	2.1
322.24634	0.5
337.23978	1.5
339.21613	0.7
339.25409	6.3
340.25653	1.1
347.22397	0.7
365.23438	3.2
366.23767	0.9
371.19550	0.5
383.20798	7.0
383.24487	100.0
384.24829	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	383.244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.6
59.01384	8.0
65.31689	0.5
68.55695	0.5
71.01379	2.8
71.05008	0.8
71.61820	0.8
73.02947	2.2
75.00867	2.0
85.02948	2.0
87.04522	0.5
87.98857	0.5
91.96533	0.5
95.01408	0.5
97.06595	1.5
101.02435	1.0
103.63815	0.5
109.02953	0.7
113.02451	1.6
119.05044	2.4
121.06546	0.6
123.08175	2.1
125.02416	0.8
125.09735	3.5
137.09714	1.7
138.08678	0.5
139.11261	0.5
153.09225	1.0
161.02414	0.5
163.86888	0.5
165.12833	2.9
167.10696	0.5
167.14439	1.3
171.10262	6.9
172.10609	0.5
177.05696	0.6
179.10869	0.8
183.13857	0.6
195.13905	1.2
198.60081	0.5
221.11864	0.7
227.12866	1.0
239.12927	1.2
247.45660	0.5
275.23798	0.7
279.03076	0.6
303.23792	0.7
310.17371	0.5
310.34317	0.5
321.24399	1.8
337.24060	0.9
339.25363	6.9
340.25830	1.2
347.22244	1.0
365.23218	3.2
383.24435	100.0
384.24792	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	383.2078
Annotation	13,14-dihydro-15-oxo-20-carboxy-PGF2alpha
Peak:m/z	Relative Intensity
53.41315	0.9
57.03454	22.0
59.01381	9.9
61.71664	0.8
71.01376	1.2
71.41145	1.3
75.00890	3.0
81.03462	58.8
81.98262	0.9
82.03809	1.8
83.01405	3.2
85.76340	0.9
113.00775	0.8
119.05049	1.7
125.02456	100.0
125.09806	0.9
126.02824	3.1
133.25426	0.9
181.16022	1.2
209.15602	1.1
209.19164	1.7
211.17024	12.5
212.17317	1.6
219.17506	6.8
233.19191	1.6
235.16856	0.9
235.20732	2.0
237.18533	4.3
251.20114	2.1
257.17578	35.8
258.17896	4.5
259.20612	1.0
275.20184	4.5
277.18588	1.0
277.21707	2.6
279.19586	1.7
281.17679	2.6
297.20679	4.5
303.19516	1.0
321.20724	11.1
322.21103	2.5
339.21732	16.1
339.25494	1.3
340.22134	3.1
365.19678	41.8
366.19968	5.6
383.20728	38.7
383.24658	8.2
384.20807	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	383.244
Annotation	Sinuflexibilin
Peak:m/z	Relative Intensity
57.03446	1.6
59.01384	8.0
65.31689	0.5
68.55695	0.5
71.01379	2.8
71.05008	0.8
71.61820	0.8
73.02947	2.2
75.00867	2.0
85.02948	2.0
87.04522	0.5
87.98857	0.5
91.96533	0.5
95.01408	0.5
97.06595	1.5
101.02435	1.0
103.63815	0.5
109.02953	0.7
113.02451	1.6
119.05044	2.4
121.06546	0.6
123.08175	2.1
125.02416	0.8
125.09735	3.5
137.09714	1.7
138.08678	0.5
139.11261	0.5
153.09225	1.0
161.02414	0.5
163.86888	0.5
165.12833	2.9
167.10696	0.5
167.14439	1.3
171.10262	6.9
172.10609	0.5
177.05696	0.6
179.10869	0.8
183.13857	0.6
195.13905	1.2
198.60081	0.5
221.11864	0.7
227.12866	1.0
239.12927	1.2
247.45660	0.5
275.23798	0.7
279.03076	0.6
303.23792	0.7
310.17371	0.5
310.34317	0.5
321.24399	1.8
337.24060	0.9
339.25363	6.9
340.25830	1.2
347.22244	1.0
365.23218	3.2
383.24435	100.0
384.24792	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	383.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36138	0.5
59.01386	8.1
71.01395	1.8
75.00885	0.7
77.75508	0.6
87.00883	100.0
88.01241	1.8
97.06603	1.4
111.08198	0.8
112.01695	1.6
113.02464	0.9
113.06123	3.2
119.05035	1.3
123.08151	2.4
125.02457	2.3
125.06087	1.0
133.06587	0.8
136.07689	1.2
161.37546	0.6
162.05565	0.8
167.07162	1.7
169.12363	9.1
170.12625	0.7
171.10313	4.5
177.05595	2.8
181.12431	1.2
193.12126	0.7
207.17523	1.4
223.17046	2.4
233.19083	2.0
235.16975	1.0
251.16429	2.0
253.17955	1.1
277.18121	5.1
279.16071	1.6
295.15579	6.5
295.19135	57.5
296.19473	6.5
297.16980	5.0
321.17081	1.3
339.18109	5.9
339.25424	0.8
340.18381	0.8
380.20071	0.8
383.17120	32.5
383.24460	4.0
384.17380	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2078
Annotation	Perseanol
Peak:m/z	Relative Intensity
52.14411	0.5
57.03454	4.1
59.01384	9.5
69.50584	3.2
71.01408	0.6
76.51907	0.5
83.01398	4.8
83.05058	0.8
89.02442	0.6
91.04023	1.6
107.62106	0.5
179.14452	1.1
181.15999	39.2
182.16338	3.5
195.13910	1.1
203.18077	1.8
205.15967	5.7
206.16336	0.6
207.13957	0.6
221.19115	9.3
222.19238	0.6
223.17043	68.7
224.17369	7.4
225.14963	7.3
226.15144	0.7
237.18622	4.4
241.18114	12.2
242.18449	1.7
243.16016	0.9
247.14429	0.7
247.17039	31.7
248.17339	3.6
265.18097	67.0
266.18420	8.1
267.16217	0.5
291.16104	2.1
292.29349	0.5
297.20798	1.0
309.17087	35.8
310.17374	5.0
339.21756	4.4
340.22025	0.7
383.20770	100.0
384.21088	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	383.147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	5.2
61.98811	0.8
69.53574	0.5
71.61935	0.7
71.62291	0.6
75.00853	1.7
81.03414	0.7
85.08243	0.5
93.03442	0.7
95.05031	0.6
110.19540	0.6
116.19608	0.4
119.05010	1.7
139.44066	0.6
191.14380	1.4
203.14375	0.5
205.15991	1.1
229.16017	1.0
231.17433	1.1
233.15427	2.6
237.33795	0.6
251.14182	3.3
252.14803	0.7
253.15704	4.2
255.13634	3.4
265.91565	0.6
269.15253	0.7
271.16898	1.0
275.16544	1.3
277.15677	2.6
279.03018	0.9
295.16779	100.0
296.17151	13.2
297.14709	17.1
297.18121	0.6
298.15021	2.6
339.15759	42.7
340.16101	5.7
341.13599	3.3
383.14755	76.1
384.10654	0.6
384.15112	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19830	1.9
57.03438	2.7
59.01382	67.6
65.78346	1.6
65.79061	1.5
69.50468	2.9
69.50871	9.0
71.01379	4.2
72.99309	2.0
75.00885	11.7
77.80740	1.5
83.01370	2.0
85.02957	3.7
86.54200	1.7
87.00877	100.0
88.01202	2.2
89.02434	3.0
90.41188	1.8
93.03454	3.6
96.95992	1.9
97.02951	2.7
97.06558	2.5
98.61119	1.8
101.02453	2.9
104.85751	1.8
109.35735	1.5
111.08241	2.3
112.01675	2.4
113.02466	4.0
119.05032	24.1
122.16594	1.9
123.08157	6.4
125.02488	3.1
135.04579	1.8
141.05585	4.1
145.02907	2.3
155.08197	1.9
159.04399	1.9
161.02438	2.6
167.07135	10.1
169.12315	3.7
171.10272	4.0
177.05493	4.2
277.17984	3.2
279.02896	3.7
295.15500	11.2
295.19107	32.2
296.19379	3.2
297.17126	4.8
320.93976	1.9
321.17056	2.0
339.18179	10.6
383.16846	20.4
383.20468	3.5
383.24466	6.2
384.17197	2.8
385.93439	2.1
386.99066	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	383.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94120	1.3
59.01394	6.7
62.97129	1.2
69.97063	5.0
71.01391	3.0
73.02956	5.4
74.02469	2.3
75.00878	16.0
84.48997	1.2
90.75258	1.4
93.03474	3.3
101.02403	1.7
107.05057	2.4
117.03489	6.6
119.05032	91.2
120.05365	3.6
123.21713	1.3
124.71955	1.2
128.75656	1.2
133.02972	27.2
134.03737	2.6
135.04533	100.0
136.04861	5.7
141.06729	2.4
143.04739	1.3
145.02957	97.6
146.03299	4.8
150.06641	1.4
161.02452	88.6
162.02809	4.4
163.04013	69.7
164.04352	3.7
177.02014	3.4
177.05559	1.8
178.02371	3.7
179.02048	2.3
179.03522	35.5
180.03877	1.8
187.04100	1.5
192.21336	1.5
203.03506	3.0
203.86212	1.3
213.07544	1.4
221.04564	43.0
222.04939	2.3
325.09402	2.3
358.44070	1.5
383.09827	34.0
384.10175	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	383.135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67860	0.7
53.06575	0.8
54.98874	0.9
59.01383	100.0
61.30128	0.7
71.20535	1.6
72.29820	0.7
75.00890	1.3
88.37807	0.8
112.88670	0.8
119.05038	64.2
120.05401	4.1
123.07994	0.8
148.62494	0.8
197.45682	0.8
208.96545	0.8
242.32455	1.0
282.00668	0.8
293.98416	0.9
301.29678	0.7
302.27338	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40277	0.7
57.03451	32.1
59.01390	3.4
66.21958	0.6
71.01371	0.9
71.61969	0.6
75.00875	17.1
75.01292	1.1
93.03464	78.3
94.03799	2.2
106.47272	0.6
109.02954	3.3
117.03468	0.9
119.05052	1.8
121.02959	29.5
122.03326	1.2
135.04538	3.4
138.05637	1.0
145.02962	65.9
146.03473	3.2
147.04532	0.8
151.03799	0.7
159.04535	4.5
161.02419	1.4
161.06097	6.2
175.03972	1.1
179.03723	1.9
179.07141	100.0
180.07484	6.9
185.02460	1.4
186.03197	5.0
187.04018	18.8
188.04372	1.1
203.03566	0.9
205.05058	6.9
213.01913	3.1
214.02769	5.6
221.08182	0.9
231.02960	1.2
233.06116	0.8
234.06770	1.0
235.07600	2.4
237.05551	2.8
237.09213	0.6
238.05952	0.7
239.07173	5.7
251.07175	1.5
253.08708	8.9
254.08879	0.7
261.05594	2.1
263.07117	3.3
264.04599	0.7
265.05035	7.3
266.05389	1.1
277.05246	0.7
279.02972	2.8
279.06610	2.5
281.08151	5.2
283.06140	7.4
284.06650	0.9
297.07748	1.3
307.06119	49.4
308.06506	6.5
325.07181	54.2
326.07471	7.1
339.08841	1.0
383.07770	10.0
383.13208	1.6
384.08215	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28935	27.2
59.01364	46.2
66.64806	27.0
99.92592	71.5
249.28577	24.0
318.01041	25.2
337.18024	32.8
363.18378	79.7
381.30054	100.0
381.37134	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2648
Annotation	2,6,10,14-Tetramethyl-6,10,15-hexadecatriene-2,3,8,14-tetrol 8-acetate
Peak:m/z	Relative Intensity
57.03455	14.0
59.01380	6.5
61.98827	2.6
67.07007	1.0
70.09503	1.0
71.22820	1.0
78.95922	5.6
83.04995	1.8
97.06613	1.6
98.20633	2.8
125.09736	2.1
132.93150	1.0
141.12862	5.1
143.88005	1.1
146.96524	1.3
155.14452	1.5
165.12793	2.1
169.12364	4.9
169.16042	1.1
171.13942	2.6
178.89543	1.0
194.67319	1.0
204.49207	1.3
277.25381	3.1
295.26501	3.3
337.27481	33.1
338.27945	6.1
381.26480	100.0
382.26871	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	382.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88389	1.0
57.03439	1.3
58.02983	11.1
59.01398	2.8
60.23041	1.0
61.98843	1.3
70.02991	13.1
70.20244	4.4
72.00932	1.6
72.04549	13.9
74.02482	39.6
74.02896	2.0
75.00889	1.9
78.25998	1.2
83.02536	1.3
84.04588	2.9
85.51231	1.1
86.02512	2.1
87.05663	2.5
88.50030	1.0
89.04003	2.7
90.04327	2.0
93.03496	1.3
96.99943	3.7
97.04070	5.5
98.02470	5.1
98.06145	2.5
99.05647	23.4
105.03496	4.4
106.03835	3.9
110.00739	1.4
110.02541	1.4
110.23722	1.2
112.04084	3.0
113.03645	1.5
114.05583	1.2
123.01496	16.0
123.05692	4.9
125.02916	1.4
125.03706	2.7
126.03808	20.6
131.09358	1.1
133.02959	12.7
134.03252	8.6
135.04536	26.9
137.03055	1.2
138.03839	21.1
138.04764	1.5
141.06712	80.3
142.07101	2.8
143.04619	12.5
145.03009	2.0
152.05403	15.9
161.02486	3.4
164.05608	1.0
167.04666	1.5
168.01373	1.0
176.01207	1.5
177.01938	95.1
178.02283	100.0
179.02425	2.7
179.03639	17.5
185.05679	62.6
186.06140	3.2
276.11951	3.1
287.29449	1.2
294.13022	4.7
295.07684	1.8
338.11832	8.8
364.09875	6.7
382.10962	68.5
383.11209	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	383.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56819	2.3
59.01386	16.5
70.12148	11.6
71.73025	2.5
75.00854	6.6
93.03461	3.0
95.84579	2.8
107.05029	5.0
109.02950	4.0
117.03482	3.6
119.05030	43.3
133.02969	5.2
133.06624	12.7
135.04529	100.0
136.04778	4.8
145.02971	30.9
146.03250	4.3
149.06068	3.3
161.02449	14.5
163.04019	37.6
175.07678	6.4
179.03511	18.0
187.07642	4.0
221.04573	21.9
279.08743	30.1
280.09204	3.4
316.46121	3.0
322.75705	3.2
383.09879	12.2
384.10413	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	381.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03184	0.9
57.03453	14.6
59.01377	2.1
63.64727	0.4
65.00333	0.6
70.30373	2.0
73.51008	0.4
78.95911	0.8
81.03463	8.8
83.01395	5.9
83.05059	0.8
97.39388	0.5
99.04483	0.5
125.02454	100.0
126.02771	3.8
154.98920	0.5
181.16006	0.8
190.39140	0.5
193.15977	4.2
204.02748	0.5
207.17513	1.2
209.15497	1.7
209.19122	4.9
210.16008	0.5
210.19365	0.5
211.17049	4.2
221.19128	0.7
225.18613	2.4
231.17569	0.7
233.19150	0.8
235.17076	6.6
236.17224	1.0
249.18568	2.4
249.22264	0.7
251.20163	3.7
253.18106	14.5
254.18483	0.7
255.15909	0.6
267.19711	0.6
275.20193	1.1
277.18063	1.3
279.15994	0.9
291.19650	6.8
292.20059	0.7
293.21262	3.9
294.21600	0.8
295.19183	1.7
297.17084	0.8
307.19153	1.0
313.20309	0.6
319.19107	0.6
335.18567	3.3
337.20193	5.2
338.20523	0.7
363.18185	0.7
381.19186	58.4
382.19562	9.0
397.66498	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.192
Annotation	Viguilenin
Peak:m/z	Relative Intensity
58.00596	1.2
59.01388	1.7
67.86993	0.3
69.03455	2.1
70.79652	0.9
71.01401	0.8
73.02941	0.9
75.00890	1.7
87.04516	0.4
91.51516	0.4
93.03466	0.5
97.02934	0.8
109.02969	0.7
113.06097	0.5
119.05032	1.0
121.02953	0.9
127.90966	0.3
135.04512	0.5
135.08202	0.5
137.02492	0.4
137.09741	2.8
144.04654	0.4
145.02972	1.1
148.04036	1.1
161.02458	0.6
166.11972	0.3
177.01909	2.7
178.02509	0.3
181.99333	0.3
188.07196	0.7
191.14513	0.6
193.99707	0.3
205.93517	0.3
217.15974	0.9
219.02966	1.4
219.06650	1.1
231.17433	0.4
233.06349	0.4
233.19144	0.8
235.07298	0.7
243.17371	0.4
245.19138	2.0
255.17577	0.5
257.15448	0.7
257.19168	0.8
259.17123	0.5
261.18607	0.4
263.20181	0.8
273.18637	1.4
274.18878	0.4
275.20142	0.7
291.19638	0.6
292.20111	0.4
305.04443	0.7
319.19095	0.8
335.18738	0.8
337.07181	0.6
337.20212	35.2
338.20563	4.6
381.19186	100.0
382.19519	14.9
382.26791	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.6
59.96720	2.2
67.86922	1.0
71.61545	1.3
74.99077	20.2
75.96233	1.8
76.43079	0.9
80.60636	1.1
91.02213	46.5
93.00140	19.1
99.92596	1.0
159.08475	100.0
160.08653	4.4
161.06403	12.1
170.12984	1.0
227.03288	1.2
365.10806	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12646	1.2
56.48454	1.3
58.00594	2.6
59.01383	62.2
60.01729	1.7
61.98834	23.3
71.01389	38.9
71.30202	2.2
72.99313	14.9
73.02965	1.5
75.00864	6.2
80.67715	1.2
83.01404	2.5
85.02970	8.9
86.02459	2.9
87.00875	3.6
89.02451	46.4
95.01398	2.3
99.00908	1.8
99.92583	1.9
101.02452	31.3
105.53477	1.1
109.02987	1.5
113.02464	16.3
116.05054	3.6
116.92902	1.3
119.03509	22.7
119.05041	3.6
121.02959	5.7
123.04523	1.5
130.06606	5.5
131.03671	3.9
132.98199	1.8
135.04506	1.6
137.02446	1.4
141.04559	1.6
143.03516	2.9
145.02986	3.1
149.02464	1.5
155.06268	2.1
157.07722	100.0
158.08069	4.4
159.04512	1.3
161.04597	1.8
174.99275	4.2
175.02675	1.5
176.03552	2.4
179.05557	2.5
186.95605	4.6
201.06712	23.8
202.07143	2.0
203.00383	1.2
203.65520	1.2
219.07993	1.9
230.98146	7.6
233.01347	1.5
250.08772	2.5
253.00423	1.2
279.00912	2.0
291.01852	1.8
292.99832	1.9
304.69760	1.3
319.10880	2.8
321.11920	2.6
325.04221	1.5
337.03821	2.0
353.00638	1.8
381.02832	2.2
381.13052	49.2
382.13467	7.7
384.24847	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1609
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.78628	0.7
54.41310	0.7
55.01886	0.8
57.03458	0.8
58.00581	1.1
59.01381	100.0
60.01711	0.8
61.98829	0.9
71.01385	15.7
71.61166	1.2
72.99313	2.2
73.02946	4.9
75.00881	5.1
78.38079	0.7
78.44731	0.7
83.01392	2.7
84.80547	0.7
85.02960	5.0
85.04111	0.7
87.00846	1.1
89.02451	10.0
89.04691	0.7
95.01351	1.3
95.20039	0.7
97.10275	0.7
99.00877	1.9
101.02445	9.4
109.02959	0.8
113.02459	5.7
119.03506	3.1
119.05060	0.8
119.91293	0.7
125.02544	0.9
131.03578	0.9
135.04538	12.7
136.04887	0.8
143.03423	0.9
145.03000	0.8
149.04594	0.9
157.08667	1.0
161.04579	6.2
199.09760	1.0
217.05171	0.8
235.02127	0.7
247.11887	5.7
319.13980	21.4
320.14270	2.4
341.08640	1.2
356.37317	0.9
379.11545	0.9
379.16031	19.5
380.16501	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.156
Annotation	trans-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
55.01872	0.5
57.53042	0.5
59.01095	1.2
59.01384	18.0
69.56495	2.7
69.56912	1.2
71.01388	36.3
71.05023	5.2
72.01717	0.7
72.27762	0.6
72.99302	2.0
73.02950	1.4
75.00878	1.4
83.01376	1.5
85.02950	2.3
87.39165	0.5
88.04043	4.7
88.58871	0.5
89.02451	8.8
95.01395	0.8
96.96017	2.2
99.00896	0.9
99.04516	1.9
99.92607	4.6
101.02444	8.2
102.86820	0.6
109.02927	0.6
113.02451	4.5
113.66586	0.6
115.67064	0.5
115.92081	2.3
116.03538	1.2
116.07185	1.4
116.92860	1.8
119.03497	2.3
119.05019	0.6
128.07161	2.6
135.04514	2.5
136.04834	1.0
146.08238	60.5
147.08607	2.2
151.90105	0.6
161.02441	0.8
161.04532	1.3
174.11417	0.8
177.01854	0.8
191.05447	0.5
200.09309	1.3
219.06535	0.6
262.96448	1.5
263.11282	0.7
308.13574	6.8
325.04074	0.7
325.09576	0.6
362.14642	1.7
380.15610	100.0
381.15939	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77926	0.3
59.01389	0.4
66.46783	0.2
68.62077	0.2
70.02969	0.3
74.02470	0.9
75.00858	0.3
89.03986	2.3
93.03442	0.3
96.20718	0.2
97.02930	0.3
97.04015	0.3
99.05617	0.6
104.02719	0.3
105.03453	3.1
106.30495	0.3
110.62361	0.3
119.68513	0.2
123.01531	0.4
123.87585	0.2
126.03797	0.6
133.02966	10.0
134.03358	0.5
141.06720	2.0
143.04568	0.5
148.01715	0.5
149.02437	1.0
171.07687	0.2
176.01149	0.8
177.01938	100.0
178.02277	6.5
185.05655	1.4
211.53952	0.3
219.02960	0.5
219.06619	0.6
249.87231	0.3
381.08261	4.0
382.11069	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12061	0.8
51.12364	0.8
59.01382	100.0
60.01695	1.0
61.16772	0.8
78.12442	1.0
106.21436	0.9
191.03505	1.1
243.19688	2.9
309.55624	1.1
387.38599	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01736	1.5
62.19570	0.7
64.19474	0.8
67.70102	0.7
69.65331	5.0
83.94292	0.7
95.72263	0.9
98.19870	1.2
113.07248	0.7
113.78386	0.7
114.32800	0.7
121.52599	0.8
136.01236	0.7
136.70821	0.8
197.19127	0.9
243.19707	7.2
254.39778	0.8
301.95758	0.8
369.67557	0.8
377.19452	0.9
377.23648	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01713	1.7
69.45907	2.6
69.46334	3.8
88.43713	0.7
98.19835	1.4
140.74123	0.7
192.04193	0.8
197.19208	1.7
243.19627	6.4
383.48450	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.0679
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19200	0.9
59.01374	3.9
61.15589	0.7
61.98834	100.0
64.43005	0.7
71.01394	1.5
71.60581	1.2
72.99309	8.4
75.00895	1.4
84.35763	0.7
89.02447	1.0
96.96016	2.2
109.02952	8.3
109.39709	0.8
119.03423	0.8
119.05051	1.4
135.04546	8.9
136.04871	2.7
153.01955	18.0
179.03523	3.3
180.03825	0.9
191.00317	1.4
203.97282	0.7
205.98933	1.8
222.99246	1.1
234.99283	2.1
248.97079	1.5
277.00284	5.4
289.64539	0.8
291.01837	0.9
315.07236	3.3
341.11050	1.1
351.00406	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	377.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74881	0.6
59.01382	100.0
60.01731	1.1
70.90106	1.5
71.01395	2.4
72.02497	0.5
73.02962	1.3
73.05251	0.5
73.88800	0.6
74.11246	0.5
75.00868	0.5
85.02986	1.8
85.44753	0.7
87.04536	1.0
89.02447	0.7
93.54702	0.6
95.01405	0.7
95.15978	0.6
96.47457	0.5
96.96089	0.7
97.02952	0.6
101.02468	2.1
113.02448	1.1
135.04527	2.9
143.14223	0.6
159.12364	0.7
161.04584	1.1
163.04019	0.7
191.03499	2.9
192.04329	1.8
233.64352	0.6
257.08267	0.5
290.73303	0.6
294.08652	0.6
317.19836	1.5
317.88480	0.7
389.89658	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01711	1.3
60.34203	1.0
68.93150	0.9
70.56799	1.6
70.57165	2.4
92.11263	1.0
146.01170	1.1
155.34843	0.9
180.38568	1.0
191.03526	1.6
193.24353	1.0
200.80780	1.0
209.97263	1.0
243.19658	3.5
298.69391	1.1
396.71353	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.94120	2.1
60.50350	2.1
69.28097	24.1
71.01374	3.7
72.99324	4.1
75.00879	77.7
95.01403	2.2
98.19890	3.8
118.99849	6.8
132.67743	2.1
148.53407	2.1
159.04527	4.4
165.28418	2.1
172.05290	15.4
173.06023	3.7
183.04503	7.0
187.04060	3.3
187.07655	100.0
188.07994	8.9
191.03374	3.8
199.03999	9.5
200.04742	8.4
201.05479	3.7
201.09126	2.7
204.04324	3.7
211.03975	3.7
213.09175	8.7
215.07143	20.3
227.03447	15.4
228.04115	10.5
229.08810	4.1
231.06689	11.7
231.10239	9.8
245.08183	7.5
257.05615	4.2
257.08212	63.3
257.10873	3.5
258.08487	7.2
271.09625	3.5
289.07227	7.1
289.10712	7.6
290.11279	2.5
379.61725	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	377.088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	6.2
63.50734	1.9
71.01392	4.6
72.99285	2.2
75.00892	4.5
75.24917	2.1
91.05492	2.2
98.94539	2.0
108.02171	6.3
118.99866	7.1
119.05083	2.1
121.02949	6.4
122.03749	27.3
124.01684	4.6
127.02448	2.3
135.04536	14.6
136.01678	12.2
145.02983	4.5
146.03735	4.4
147.04536	4.9
148.05310	16.8
150.03220	3.6
159.04564	2.5
162.06845	2.7
163.04025	14.4
174.03226	3.2
177.09218	100.0
178.09546	9.4
191.03525	45.1
192.04315	11.2
203.10637	2.1
205.08707	88.2
206.09047	7.6
217.12343	8.2
218.12701	2.8
229.08733	3.9
257.08191	13.1
258.08481	2.3
261.11349	3.8
275.09366	2.5
279.64047	2.4
289.10864	15.6
290.11234	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	377.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69829	6.1
65.36458	5.5
69.03449	11.3
70.15762	15.2
71.01371	27.6
72.99316	10.8
73.02938	8.7
75.00876	43.9
78.57465	5.9
83.05032	13.6
93.03461	22.8
109.02982	9.1
111.04553	38.5
118.99853	20.1
121.02973	40.4
139.04013	61.2
146.03716	9.8
147.04491	13.1
159.04515	23.1
172.05325	31.8
173.06116	36.1
173.07466	8.4
174.06496	7.2
175.07626	7.9
187.04028	11.1
187.07661	100.0
188.04811	34.8
188.08127	15.6
189.09161	26.0
191.03386	7.5
197.06087	18.3
199.03889	6.7
200.04781	8.5
201.09175	25.1
204.07904	8.1
205.08685	8.8
213.09142	10.6
215.07114	29.8
216.04227	19.5
216.07809	10.0
217.08739	73.4
227.03392	8.3
227.07170	8.8
227.10718	26.1
228.04468	8.3
229.08803	9.7
231.10295	19.4
243.10326	15.1
245.08162	50.3
245.11821	15.7
257.08209	37.1
261.11343	8.5
271.09750	15.6
289.10815	21.0
378.49326	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	377.088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63887	1.2
56.18488	1.1
57.91270	1.1
65.80265	1.1
70.94452	2.6
71.01372	1.6
108.02181	7.3
119.05061	2.8
121.02977	6.6
124.01684	1.7
131.77008	1.3
133.02957	2.0
134.03725	4.5
135.04539	100.0
136.04782	5.7
147.04529	14.7
148.05339	13.0
150.03223	2.2
151.04036	2.9
159.93402	1.2
163.04024	14.9
173.02415	3.7
179.03342	1.2
191.03519	44.3
192.04301	47.7
193.04601	5.3
243.10376	1.2
275.09396	1.4
302.49680	1.1
341.26846	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72789	1.0
62.13533	1.1
63.15372	1.3
69.84341	3.6
69.84752	2.8
71.01369	1.1
85.39525	1.2
86.45985	1.1
107.05006	1.3
108.02177	9.3
109.02950	1.2
121.02955	5.6
133.02968	1.4
133.36989	1.1
134.03773	3.5
135.04539	100.0
136.04851	5.2
145.03017	3.0
147.04552	11.7
148.05276	4.6
150.03178	1.3
151.04025	2.1
163.04012	13.8
173.02419	2.1
188.14066	1.2
191.03511	49.3
192.04294	46.1
193.04742	2.5
205.08681	1.7
326.80643	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.5
58.00589	1.1
59.01385	28.5
60.01714	0.5
60.84514	0.2
69.53703	1.5
71.01388	23.3
72.01732	0.3
72.99314	1.1
73.02963	0.6
80.96527	0.7
83.01401	0.6
84.42769	0.3
85.02964	2.9
87.00880	1.6
89.02451	37.9
90.02773	0.8
92.38490	0.2
92.45580	0.2
94.98109	0.3
95.01380	1.0
97.02965	0.5
99.00877	0.4
101.02451	13.3
102.02791	0.3
113.02455	10.6
119.03507	13.7
120.03852	0.4
125.02438	0.5
128.89255	0.5
130.88951	0.9
131.03528	2.3
132.88663	0.6
140.90845	1.3
141.01906	0.4
143.03519	2.5
144.86986	0.3
149.04539	1.5
152.93687	0.5
154.90628	0.5
154.93346	0.5
155.90657	0.4
161.04573	4.8
167.66997	0.3
179.05626	19.4
180.05927	0.6
182.91916	0.7
197.02214	3.3
212.92940	0.6
215.03284	19.8
216.03606	0.8
221.06697	0.5
228.84050	0.3
234.85703	0.9
234.88281	0.2
249.99197	0.3
281.08661	0.4
317.05496	0.8
341.10892	100.0
342.11224	9.5
377.00037	2.6
377.08563	59.0
378.00330	0.3
378.08917	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	375.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	12.6
57.03448	8.3
58.00595	2.9
59.01382	59.3
69.03466	1.5
71.01384	97.2
72.01719	2.2
72.99316	5.1
73.02956	43.0
75.00890	2.0
83.01392	18.6
85.02435	2.8
85.02956	56.9
86.00126	1.8
86.03294	1.2
87.00881	4.5
88.23665	1.3
89.02451	10.9
95.01378	8.8
97.02986	2.5
99.00891	17.3
101.02451	100.0
102.02805	2.2
111.00897	3.1
113.02457	43.8
119.03493	1.6
125.02458	2.6
129.01952	2.0
143.03490	4.9
159.03003	9.7
160.44263	1.2
161.04564	46.8
162.04852	1.8
175.70512	1.2
205.03627	1.6
372.95956	1.2
375.23907	31.0
376.24106	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	375.239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	4.8
59.01384	100.0
61.98852	4.8
65.00328	3.0
67.98624	1.6
71.61369	2.7
81.03452	4.2
83.01374	8.1
123.04530	8.4
125.02460	37.3
138.18069	1.7
138.64832	1.5
148.05339	3.9
149.02512	3.0
167.03650	1.8
181.15968	3.7
191.03450	2.0
200.32654	1.7
205.16043	6.0
220.93205	1.9
245.19122	6.8
247.17090	6.2
287.20193	5.3
288.91260	1.9
289.18124	6.7
307.19214	2.1
331.19055	14.3
331.22250	2.1
332.19183	2.4
357.20767	2.1
375.17819	55.3
376.18213	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15582	3.6
51.28936	3.7
58.43002	3.6
59.01384	100.0
70.82216	9.3
72.28873	3.7
79.11648	3.8
125.02439	12.3
197.73656	4.5
217.49707	4.4
245.18658	4.2
287.20239	8.5
331.19312	10.0
375.17886	25.8
375.21506	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0645
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	2.1
63.41191	0.3
63.62569	0.3
67.00849	0.3
69.52584	0.6
69.52995	1.6
71.01394	0.8
71.13950	0.3
73.02934	0.4
75.00876	0.6
75.88760	0.4
79.16843	0.3
85.02966	0.5
89.02460	0.4
107.05062	2.0
111.20908	0.3
119.05042	0.4
123.04514	0.6
130.51193	0.3
131.05119	0.4
133.02992	0.3
133.06586	0.4
134.03761	1.7
135.04532	100.0
136.04863	5.7
145.06424	0.3
151.04018	4.4
177.05571	1.1
179.03503	25.1
180.03841	1.3
192.03033	0.4
199.03679	0.6
215.09279	0.4
241.09885	0.7
243.11511	0.3
285.08771	0.6
313.09323	1.1
314.09677	0.4
315.09976	0.6
341.08740	19.2
342.08987	1.8
359.08841	1.0
377.06485	1.0
377.14325	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
67.00385	0.6
67.75961	0.7
70.18154	1.0
70.18501	2.3
73.77834	0.6
74.99090	1.9
78.29081	0.6
93.00137	1.1
98.20589	0.9
108.45723	0.6
115.56277	0.7
130.79358	0.6
143.05385	0.8
159.08481	11.0
161.06421	3.4
169.29739	0.6
185.02069	0.7
209.01282	2.3
217.07199	0.9
239.25017	0.7
275.05975	2.0
277.07535	2.4
289.07535	2.3
291.09113	97.2
292.09204	14.5
292.12326	1.2
309.10303	1.1
344.52673	0.6
357.13852	2.2
359.15347	100.0
360.15500	20.1
375.18430	6.4
376.18243	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70296	0.7
59.01384	100.0
60.01711	1.4
68.64330	0.6
71.01393	2.7
73.03008	0.7
75.00874	2.5
89.36510	0.7
90.92887	0.6
96.96182	0.7
101.02457	1.4
113.02499	1.5
119.05020	1.8
143.42703	0.7
147.08211	1.1
161.04582	1.9
259.54785	0.7
268.27872	0.7
315.18243	1.6
317.17758	3.6
386.78159	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01723	1.6
64.80585	0.5
68.79131	0.5
70.78001	1.1
71.01374	4.0
73.02967	1.1
75.00876	0.8
85.02966	1.6
89.02466	1.5
89.96310	0.4
101.02456	2.2
113.02474	1.7
119.03489	0.7
126.64469	0.4
159.03062	0.8
161.04591	2.2
180.40509	0.5
195.17593	0.7
229.18092	1.6
239.16441	0.8
253.31824	0.5
255.75842	0.5
257.17694	2.0
299.12921	0.7
315.18173	0.8
331.21451	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2179
Annotation	Macrolactin H
Peak:m/z	Relative Intensity
70.52305	0.4
70.52677	0.4
93.83755	0.2
98.20183	0.4
114.91414	0.2
117.03474	17.3
118.03802	0.7
119.05038	6.7
120.05405	0.4
121.02959	0.9
123.04556	0.3
145.02963	100.0
146.03308	5.3
163.04015	4.2
181.16078	0.2
183.17566	0.8
229.18083	10.3
230.18431	0.9
245.19185	0.2
264.29996	0.2
292.72620	0.2
331.19305	0.3
333.78824	0.2
355.65152	0.2
357.20670	0.8
375.21793	21.9
376.17755	0.3
376.22134	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	375.1811
Annotation	Sauriol B
Peak:m/z	Relative Intensity
54.59158	0.7
57.03443	3.3
65.00323	1.1
71.13538	2.0
81.03455	2.1
81.79018	0.7
83.01384	5.3
83.05009	1.2
87.58618	0.7
105.66473	0.8
110.62049	0.8
121.06584	1.1
123.04498	3.3
125.02462	6.6
133.06638	1.2
135.04543	1.0
155.37785	1.0
181.15996	7.3
182.16351	0.8
203.18011	2.6
205.15952	9.4
209.69505	0.7
221.19116	9.3
222.19496	0.7
229.16006	1.0
245.19110	25.2
246.19447	2.9
247.16988	10.1
259.20642	3.0
263.20053	3.5
265.18054	1.4
287.20203	17.7
288.20499	2.7
289.18088	12.7
290.18600	0.8
291.15991	3.3
307.19296	5.1
313.18011	0.9
331.19159	37.3
332.19568	6.5
333.17236	5.4
337.37970	0.8
375.18115	100.0
376.18472	16.7
381.99799	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12569	0.7
57.44321	0.7
70.18558	3.2
74.99084	2.7
82.98417	0.7
90.08785	0.8
93.00137	0.8
98.20576	0.9
121.03033	0.8
124.78201	0.8
135.50999	0.7
159.08450	10.5
161.06413	3.3
209.01259	2.3
217.07260	1.1
261.04297	0.9
275.06070	1.0
277.07513	2.1
289.07742	1.6
291.09113	91.3
292.09238	15.2
299.84000	1.0
309.10028	1.8
357.13834	2.3
359.15356	100.0
360.15524	19.8
375.18484	8.9
376.18558	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.7
61.98829	0.5
65.58357	0.2
69.41904	1.7
69.42188	0.2
75.00848	0.2
83.01379	0.3
98.19832	0.4
100.35354	0.2
101.06113	1.0
101.06669	0.2
124.07655	0.7
125.02467	0.3
148.05154	0.3
165.10323	0.2
181.15965	0.3
189.10384	0.5
205.12172	0.3
205.15979	0.5
206.12801	0.2
216.11392	0.2
221.19023	0.3
232.10915	9.4
233.11246	0.8
245.19122	1.0
247.17163	0.3
287.20200	0.6
289.18002	1.8
290.18750	2.8
291.19241	0.2
316.16589	1.6
318.18262	0.4
331.19165	1.7
358.21411	1.0
374.24493	100.0
375.18106	3.6
375.24823	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	375.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36965	0.9
55.01894	1.6
57.03449	2.0
58.00599	2.5
59.01386	100.0
59.82689	0.6
60.01726	1.2
61.98828	0.7
69.74606	4.7
71.01389	42.8
72.99326	4.3
73.02948	9.1
73.03294	0.9
75.00872	6.2
78.70370	0.7
83.01397	5.6
85.02961	15.2
87.00887	2.6
89.02457	41.7
90.02763	0.7
91.41589	0.9
93.03490	0.9
95.01383	2.9
99.00904	2.4
99.04556	1.4
101.02454	31.0
109.02979	1.9
113.02464	17.4
119.03511	21.8
127.38476	0.6
131.03535	2.3
135.04538	2.3
143.03526	3.3
146.03740	0.9
149.04584	1.4
151.03958	0.8
153.09201	4.0
161.02481	1.1
161.04546	4.0
171.10323	0.9
175.07635	1.4
177.09215	1.5
179.05659	2.7
186.20984	0.7
187.07605	1.4
195.10301	1.2
201.05606	1.2
211.07521	1.0
212.04842	1.3
213.05589	2.0
213.11256	0.8
215.03488	1.1
216.57613	0.8
241.09880	1.5
258.05286	1.2
277.60764	0.8
279.02951	2.0
285.08710	1.4
287.09299	2.4
315.14511	3.7
317.06583	1.0
331.17795	1.1
333.15701	4.3
354.19974	0.8
357.15497	5.9
375.16611	54.0
376.16895	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	374.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58588	0.6
59.01384	8.1
61.98833	1.3
62.03361	0.7
69.67593	2.7
69.68006	1.5
71.01379	4.1
72.99318	1.3
73.02956	0.8
75.00883	2.9
77.20383	0.6
80.05073	4.7
85.02946	1.6
89.02444	2.3
93.03452	0.8
101.02424	1.6
106.02979	0.8
106.06633	70.1
107.06980	3.1
109.02962	2.3
113.02441	3.6
118.06618	3.1
121.03027	1.0
122.06158	1.0
123.04532	0.9
124.04091	3.4
124.07691	38.1
125.08021	1.9
135.04501	1.1
137.02452	2.0
150.05611	6.6
151.04012	0.8
152.07179	1.8
159.04579	0.9
161.02386	0.9
161.04681	0.8
164.07172	8.7
165.07565	0.9
168.06670	100.0
169.07021	6.5
182.08234	12.8
194.04541	0.8
210.07761	10.8
211.07594	2.2
212.05658	6.2
213.05870	1.0
254.06557	1.2
269.08194	1.9
270.07614	0.7
314.08774	2.0
317.06723	2.8
374.10782	16.1
375.07056	0.9
375.11356	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	374.1319
Annotation	ZM323881
Peak:m/z	Relative Intensity
71.07213	4.0
74.60550	1.8
84.23789	1.7
99.92588	94.6
100.06439	1.9
100.92585	6.3
115.92072	19.4
116.92877	16.0
118.89980	66.3
119.90016	2.7
134.89468	11.4
135.90250	30.0
141.93593	2.5
150.88991	3.0
173.90556	1.8
331.26346	3.6
338.15540	28.5
339.15839	2.4
362.01797	2.2
374.13220	100.0
375.13657	21.5
375.18161	3.9
375.25412	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	373.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	7.0
57.03446	8.4
58.00599	3.4
59.01385	69.0
61.98846	1.4
71.01389	100.0
72.01743	1.8
72.99317	5.6
73.02952	31.8
75.00880	13.1
83.01402	17.7
85.02958	43.9
87.00883	4.7
89.02451	24.9
95.01398	7.4
97.02950	1.7
97.06593	1.9
99.00888	14.9
101.02451	91.2
102.02788	2.4
103.40015	1.4
113.02452	43.0
119.03510	8.3
125.02466	2.4
129.01974	2.0
131.03494	1.6
137.09749	1.4
143.03513	4.3
144.33374	1.3
159.03035	8.8
159.04199	1.4
161.02480	2.2
161.04565	40.9
162.04855	1.6
164.98224	1.2
185.11896	1.6
201.11319	2.3
211.17087	1.9
224.16824	1.2
227.03476	2.8
227.16563	1.5
229.14507	1.3
279.74075	1.5
297.11392	2.7
343.24759	2.0
345.26144	1.5
355.24930	3.0
373.22113	14.9
373.25946	47.7
374.22046	1.8
374.26483	8.2
378.98816	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82561	1.6
55.01873	10.0
56.66823	1.7
57.03456	8.8
58.00578	3.2
59.01385	82.7
60.01709	1.6
71.01388	100.0
72.01729	2.1
72.99319	4.7
73.02950	37.4
75.00890	8.1
83.01397	20.4
84.02194	1.5
85.02955	47.3
86.00135	1.5
87.00874	5.9
87.04556	1.7
89.02463	29.1
92.11465	1.8
95.01375	8.4
97.02963	2.1
99.00890	12.1
101.02452	86.7
102.02790	2.5
111.00898	2.3
113.02462	48.3
119.03521	13.6
121.07666	1.8
125.02434	1.8
125.09734	2.0
129.01913	1.7
139.38542	1.8
143.03485	6.2
145.03017	1.7
158.09116	1.8
159.03032	8.8
161.04570	47.6
163.11382	1.7
171.10277	7.3
179.05719	2.1
193.12343	2.7
201.11374	1.9
211.13393	6.4
229.10583	2.3
317.08804	1.6
331.17664	2.5
331.21329	5.3
373.18546	62.0
373.22461	7.3
373.26096	71.4
374.19022	7.2
374.26407	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	373.187
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
59.01385	100.0
60.01722	0.8
69.35580	2.3
69.35990	4.8
71.01383	14.0
73.02967	11.1
73.64227	0.8
75.00884	6.5
77.99220	0.7
78.21204	0.8
79.14356	0.8
81.69236	0.8
83.01409	2.9
85.02966	3.0
89.02440	5.1
101.02454	10.7
109.03016	0.8
113.02463	5.3
119.03529	2.5
119.14333	0.9
131.03500	0.8
135.04611	1.0
137.84685	0.9
148.05266	0.7
151.98564	0.8
161.02512	1.5
161.04559	2.6
165.12094	0.8
198.87057	1.0
275.54446	0.8
373.18723	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69485	1.1
55.01881	1.1
57.03443	1.7
59.01384	100.0
61.98816	2.2
64.80040	1.1
69.29138	11.3
71.01382	17.5
72.99315	1.9
73.02953	4.7
75.00879	26.4
83.01405	2.9
85.02956	6.1
87.00870	1.5
88.53516	0.9
89.02457	9.8
89.93636	1.0
93.03452	1.3
95.01402	2.0
99.00880	2.0
101.02460	11.0
109.02917	2.5
113.02476	7.2
119.03481	3.3
119.05064	1.3
125.02464	1.4
135.04562	2.8
145.02916	1.8
159.03070	1.1
161.02428	2.1
161.04604	3.4
167.10857	1.2
168.33478	1.0
229.01433	1.5
257.07913	1.5
257.12885	1.7
329.19644	4.8
331.17661	2.3
373.18579	3.1
373.22403	1.7
373.26248	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92448	0.7
53.56327	0.8
55.01889	9.2
57.03451	6.8
58.00595	2.9
59.01384	77.2
60.01711	1.2
63.96574	0.7
67.69061	0.8
69.03452	1.9
69.86553	4.7
71.01386	100.0
72.01703	2.3
72.99313	5.0
73.02952	31.3
75.00875	4.3
83.01396	14.7
84.02170	0.9
85.02956	46.7
86.00105	2.5
86.03257	0.9
87.00877	4.1
89.02451	25.2
95.01388	6.8
97.02946	2.9
98.19946	1.2
99.00886	12.8
101.02451	86.6
102.02763	2.2
111.00855	1.6
113.02459	40.3
114.02792	1.7
119.03502	9.7
125.02439	1.3
126.62571	0.9
129.01935	2.2
131.03474	1.8
143.03473	3.7
159.03003	8.0
161.04564	35.9
162.04828	1.0
167.68195	0.8
179.05667	1.3
193.12338	1.3
205.03571	1.1
212.30275	0.8
226.03285	0.8
331.17551	2.7
355.17673	1.0
373.18555	62.0
373.22360	7.4
373.26144	4.9
374.18817	8.6
374.22479	1.1
374.26468	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.187
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
53.26902	0.4
55.01891	2.2
57.03447	2.0
58.00602	1.5
59.01384	100.0
60.01727	0.8
69.03475	0.9
71.01389	39.9
71.61786	0.5
71.62193	0.4
72.01733	1.1
72.99322	1.4
73.02953	26.4
74.03290	0.5
75.00880	6.1
81.03484	0.5
83.01397	9.1
83.01878	0.6
85.02960	14.1
86.03295	0.7
87.00897	1.5
89.02447	10.7
95.01403	2.5
97.02979	0.7
97.06607	0.6
99.00883	3.8
99.25955	0.4
101.02453	32.7
102.02809	0.9
109.02962	1.0
109.34975	0.3
111.00902	0.6
113.02457	16.6
114.02808	0.7
119.03500	3.6
119.04991	0.5
119.36194	0.4
124.71862	0.4
125.02501	1.3
131.03549	2.0
141.83713	0.4
143.03519	2.0
147.03065	0.4
149.04597	0.7
155.03447	0.4
159.03003	1.8
161.02504	0.6
161.04584	10.4
162.09302	0.5
179.05701	0.4
213.05536	0.4
228.10381	0.5
229.18224	0.8
237.18611	0.5
255.19843	0.4
256.09808	9.4
271.02628	0.5
285.20810	0.6
298.10846	3.7
300.02808	0.5
307.59479	0.4
313.16547	2.0
329.20078	1.1
330.20236	0.5
331.17575	5.4
331.21072	0.5
332.17960	0.5
373.03430	0.6
373.18634	2.2
373.22672	3.1
373.26221	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1658
Annotation	Euserotin
Peak:m/z	Relative Intensity
51.27613	0.9
56.32003	0.9
59.01365	2.3
61.98828	1.0
69.03453	1.6
71.61897	1.3
73.25350	0.8
91.05540	2.1
93.03438	1.6
107.76692	1.1
109.02955	1.0
118.45801	0.9
121.02935	1.3
135.04503	3.0
135.08185	0.9
137.02486	1.2
146.07394	1.3
152.55563	1.0
184.49565	1.0
191.14349	2.6
217.15868	1.1
231.17407	1.2
233.15634	1.9
243.17522	6.0
257.19104	2.6
259.13269	1.0
259.17075	2.5
261.18573	3.6
262.18753	1.1
285.18619	30.2
286.18863	4.2
287.16489	4.0
289.14557	1.1
305.17627	2.4
329.17593	100.0
330.17892	17.2
331.15634	1.6
351.68164	1.0
373.16516	26.5
373.20554	1.2
374.16730	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	373.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28105	0.5
55.01875	1.1
57.03458	2.1
58.00592	1.5
59.01384	100.0
60.01723	0.7
69.03456	0.8
70.63152	2.0
71.01389	28.4
71.05003	0.7
72.99316	2.5
73.02951	9.4
75.00880	8.0
76.96747	0.7
83.01386	3.4
85.02952	10.1
87.00896	1.6
89.02452	15.6
93.03471	1.1
95.01385	2.6
99.00892	2.7
99.04530	1.0
101.02452	18.9
101.03085	1.2
109.02974	1.2
113.02454	12.8
119.03512	7.1
123.08181	0.7
129.01918	0.7
131.03371	0.6
135.04561	1.6
141.01955	0.6
143.03535	1.2
145.02988	1.2
159.02957	1.4
161.02473	1.4
161.04543	3.6
169.17889	0.5
179.05724	0.8
211.13344	4.6
213.14838	0.8
238.07959	0.6
267.06683	0.6
283.64343	0.6
345.04028	0.7
373.10706	1.2
373.18661	22.9
374.18826	2.6
385.29230	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.8
55.32290	1.0
57.03448	2.4
58.00600	3.5
59.01385	100.0
60.01727	2.0
61.98829	1.3
63.54146	1.1
69.27979	10.3
71.01389	64.8
72.01723	1.7
72.99310	7.0
73.02952	4.5
75.00875	12.1
77.01300	1.2
80.51119	1.0
81.03466	1.3
83.01388	6.6
85.02952	14.5
87.00900	6.2
89.02450	79.7
91.02847	0.9
95.01419	5.0
95.05077	1.2
98.19843	2.5
99.00870	5.4
101.02451	45.4
102.02823	1.4
102.61198	1.0
109.02964	18.8
110.03303	6.0
111.03481	2.0
113.02451	25.8
114.02879	1.3
115.00404	4.0
119.03513	39.9
120.03864	1.4
121.02974	3.6
123.04578	2.3
123.08146	1.4
125.02474	3.0
131.03532	3.1
133.02972	3.1
135.04498	6.0
137.02516	1.4
137.09744	1.4
137.28917	1.1
139.11270	1.8
143.03531	6.0
145.02966	2.0
147.04585	1.6
149.04790	1.6
149.06093	23.5
149.07231	1.8
149.09708	12.5
150.06607	1.0
150.10095	2.0
151.04062	3.1
151.07677	2.7
159.03180	1.2
159.04544	4.1
160.04941	1.0
161.02466	7.8
161.04529	12.2
161.05902	1.3
163.03941	1.7
167.03568	4.2
167.10776	11.1
168.02623	0.9
174.03250	1.5
175.00385	1.8
175.02573	2.6
175.04062	5.0
177.01955	8.2
177.05592	1.1
179.05611	11.1
180.06003	1.4
185.02568	2.1
186.02953	1.6
189.05515	2.2
191.03577	1.0
192.07968	1.3
193.05074	4.9
193.08745	6.9
205.04413	1.2
210.06854	14.8
211.07623	6.4
211.09839	6.0
219.03018	6.4
220.03419	1.3
225.05534	1.3
233.04520	5.4
237.03975	10.0
243.06816	1.1
244.12471	1.1
253.05089	2.0
255.06738	1.3
267.06650	1.1
269.04633	1.7
271.09570	1.2
275.05750	1.3
277.03467	8.5
279.06512	1.3
279.35364	1.0
293.06833	1.5
295.06137	2.4
296.06580	2.4
297.03983	4.9
297.07007	11.5
315.08716	2.7
337.05627	20.3
338.06049	2.3
373.09238	3.8
373.15033	37.5
374.14813	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	372.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
69.26325	8.3
75.00857	0.9
94.03051	0.9
96.08575	0.8
98.20664	1.8
100.19635	0.8
109.02958	1.6
152.86832	0.8
194.15898	0.8
225.47885	0.9
265.21707	2.3
309.20724	3.7
334.33939	0.8
390.99170	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34584	0.6
53.31922	0.6
54.11613	0.7
55.01886	5.2
57.03455	7.4
58.00600	2.0
59.01384	43.1
60.01716	0.8
67.01924	0.7
68.99814	1.6
71.01389	82.6
71.61575	0.9
72.01717	1.3
72.99319	2.6
73.02954	23.3
75.00890	5.0
79.11301	0.6
80.90453	0.6
81.03493	0.8
83.01398	12.4
83.05000	0.6
85.02958	33.0
86.00111	0.9
86.03268	1.0
87.00886	3.8
87.11933	0.7
89.02455	22.4
95.01404	7.9
97.02970	2.1
97.71339	0.6
99.00895	10.7
101.02453	59.9
102.02797	2.1
102.98607	1.0
109.02955	8.0
111.00888	1.2
113.02460	34.3
114.02809	1.4
119.03509	10.6
123.08174	0.9
125.02460	1.8
125.09761	1.2
129.02008	1.4
131.03513	0.8
139.00375	0.9
143.03526	3.1
149.04466	0.7
159.03027	7.0
159.04526	3.1
161.02457	1.9
161.04565	31.2
171.10280	4.1
172.05319	9.9
173.06032	0.7
179.05540	1.3
183.04457	1.3
185.02371	1.0
185.06067	1.4
187.04045	1.3
196.05307	0.8
197.06085	5.7
198.06737	1.0
199.04021	12.1
200.04781	8.3
201.05440	2.2
203.03490	0.7
204.04247	2.2
205.03534	2.2
211.03990	2.3
211.07576	1.4
213.05533	1.8
214.06425	2.4
227.03513	40.0
228.04251	20.6
229.04636	1.4
230.05734	1.0
232.03845	1.5
246.05382	1.0
250.25160	0.6
257.15500	2.1
265.43173	0.7
267.13913	1.5
269.08124	0.7
281.15509	1.1
283.13419	42.0
283.16614	1.5
284.13916	4.9
295.06131	5.3
296.06592	1.1
301.14474	9.7
302.14923	0.9
307.13406	1.5
309.14929	14.5
310.15433	1.9
311.12894	9.4
312.13260	1.5
325.14560	5.7
327.12521	1.1
327.15927	5.4
329.14005	4.7
341.23444	2.2
343.15765	1.2
353.13947	14.6
353.18103	1.1
353.23337	1.2
354.14301	2.3
371.15015	100.0
371.20184	3.6
371.24500	35.9
372.15335	14.2
372.20255	1.3
372.24774	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	371.1351
Annotation	Macrosphelide J
Peak:m/z	Relative Intensity
51.87286	0.8
55.01880	1.0
57.03439	1.0
57.89015	0.8
58.00590	3.0
59.01384	62.5
60.01724	0.9
70.43427	1.8
70.43781	1.6
71.01389	33.2
72.99328	2.7
73.02939	1.4
75.00878	33.7
76.01215	0.8
83.01402	2.1
85.02959	6.9
87.00872	1.7
89.02448	44.9
90.02792	1.3
91.05528	2.1
95.01400	3.0
98.20515	0.9
101.02450	23.1
106.06633	1.7
108.02177	1.8
109.02959	100.0
110.03303	3.6
113.02459	13.5
117.03429	0.8
119.03506	21.2
121.02960	2.3
123.04498	1.5
125.02443	1.6
131.03542	1.1
131.05013	1.2
133.02966	1.2
135.04549	2.3
136.05290	1.5
137.02327	1.2
137.89886	0.7
143.03514	1.4
145.02928	1.9
147.04523	1.6
147.08157	2.1
149.04611	1.5
150.05603	2.2
151.05956	0.9
157.02946	0.9
158.03694	1.3
159.04529	24.2
160.04895	1.5
161.02481	6.3
161.04652	1.5
161.05988	1.1
164.04817	1.7
165.05573	5.1
173.02487	3.8
175.04042	6.0
177.05586	1.5
179.05629	2.1
185.02431	16.0
186.03122	3.3
191.07106	0.9
203.03531	7.3
204.03850	1.3
209.04556	1.3
209.08043	0.8
225.05545	1.5
233.33621	0.8
237.04024	1.0
251.07143	0.9
253.05028	3.1
254.05815	1.2
263.07486	0.8
265.04944	1.2
266.05933	0.8
267.06613	3.5
269.08231	2.7
277.05038	2.0
278.05484	1.1
295.06122	83.2
296.06442	10.2
313.07181	1.2
371.08167	4.1
371.13464	65.6
372.13824	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	371.135
Annotation	Macrosphelide J
Peak:m/z	Relative Intensity
52.25586	0.7
55.01874	1.8
55.14751	0.7
57.03449	1.3
58.00587	3.7
59.01385	100.0
60.01709	1.4
69.53339	4.8
69.53746	1.4
71.01389	44.0
72.01732	1.4
72.99313	3.0
73.02931	1.4
75.00878	14.5
83.01386	3.2
85.02961	10.1
86.03294	0.9
87.00864	1.3
89.02454	54.9
90.02816	1.4
91.05570	1.7
95.01386	3.9
98.19897	2.0
99.00957	0.9
101.02452	32.4
104.27342	0.9
106.06604	1.6
109.02961	33.8
110.03290	1.9
113.02457	19.9
119.03506	26.1
123.04554	1.5
131.03516	1.1
135.04536	1.6
136.05301	2.6
143.03471	2.6
147.08182	0.8
147.12778	0.8
149.04535	2.5
151.05994	0.9
158.03825	1.3
159.04517	9.3
160.05006	1.0
161.02466	2.2
161.04579	1.9
161.05992	0.8
164.04787	1.7
165.05573	6.9
166.05942	1.1
172.88562	1.0
173.02437	1.0
175.04030	3.8
179.05577	2.3
185.02415	6.0
203.03522	2.9
209.08142	0.9
295.02939	1.7
295.06149	25.8
296.06396	2.5
371.13504	85.9
372.13904	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	371.0984
Annotation	Deacetyl asperuloside
Peak:m/z	Relative Intensity
55.97933	0.4
59.01385	1.3
59.34329	0.4
70.73895	1.1
72.98924	1.1
72.99311	14.0
74.28220	0.4
75.00883	4.2
78.68643	0.4
80.25082	0.5
85.89028	0.4
91.95780	0.4
98.57133	0.5
103.05575	0.8
106.81300	0.4
109.02960	10.2
110.03336	0.7
117.03477	0.5
118.95003	0.5
119.05034	3.4
121.02969	0.5
123.04529	0.9
135.04515	2.2
147.04530	14.1
148.04836	1.3
159.04533	3.8
161.06128	2.3
163.04041	2.2
165.05592	7.2
167.03511	0.7
171.91212	0.5
174.39275	0.6
185.02435	1.1
191.03514	43.7
192.03885	2.5
203.03613	0.6
205.05051	0.7
209.04561	100.0
210.04900	6.3
233.04553	2.6
251.05594	3.2
270.43719	0.5
281.06754	0.8
295.06168	6.8
296.06619	1.5
311.07709	1.8
371.09827	7.0
372.10391	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68313	0.7
58.43912	0.7
59.01387	3.4
69.60158	4.7
71.01382	3.2
72.99309	12.3
73.02944	0.9
75.00875	33.5
76.01196	0.8
81.25170	0.7
89.02440	1.2
99.04491	0.9
101.02429	2.0
103.05515	0.7
106.47453	0.6
108.02175	3.4
109.02955	100.0
110.03304	4.5
113.02487	0.8
115.05544	2.8
118.65095	0.7
119.05038	1.8
121.03015	1.6
123.04536	6.2
131.05034	1.9
133.06618	1.8
135.04535	2.0
145.02962	2.9
145.06554	0.9
147.04536	11.9
151.06139	0.6
152.01161	1.5
157.02951	2.4
158.03764	1.9
159.04517	27.5
160.04872	2.5
161.02443	2.4
161.04744	1.2
161.06084	9.3
163.04004	1.2
164.08420	2.7
165.05568	1.2
167.03467	4.1
173.02408	4.2
173.06010	0.7
175.04010	7.3
176.67184	0.7
177.05577	1.0
185.02438	25.5
186.03200	5.1
187.03949	1.0
191.03497	20.6
192.03673	0.9
203.03525	6.5
205.05115	1.6
209.04546	28.1
210.04991	1.7
224.04803	0.9
225.05646	1.6
232.05095	0.8
233.04584	16.5
234.04726	1.1
239.07198	1.4
249.05534	1.3
251.05579	27.9
252.05972	3.0
253.04971	3.5
267.06598	3.0
269.08197	2.7
276.04260	0.9
277.05096	3.1
278.05826	1.5
280.03860	1.5
281.06662	6.7
294.05270	1.0
295.06119	73.6
296.06485	10.9
311.07739	26.3
312.08136	2.7
313.07260	1.9
371.09952	12.3
371.13852	1.2
372.10153	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0991
Annotation	Deacetyl asperuloside
Peak:m/z	Relative Intensity
51.48602	0.5
51.71418	0.5
59.01382	6.4
61.98834	4.8
71.01387	2.8
71.60453	1.0
72.99316	7.9
73.02947	1.7
75.00880	32.9
75.32536	0.6
78.95914	0.6
83.01398	0.7
85.02957	1.6
87.00890	6.4
87.16383	0.6
89.02426	0.8
93.03486	3.3
93.56639	0.6
101.02442	0.8
101.54320	0.5
108.02186	2.5
109.02962	100.0
110.03294	3.9
111.00884	0.5
115.05553	1.0
119.05053	2.9
121.02978	3.4
121.06596	1.9
122.03754	0.8
122.06118	0.7
123.04541	5.6
131.05055	1.4
133.06616	0.7
135.04507	2.3
136.01701	2.1
137.00374	0.6
137.02460	1.2
145.02997	2.4
145.06662	0.6
147.04538	8.8
149.02443	0.8
149.06169	0.7
150.05669	1.7
151.04008	3.1
157.03000	2.0
158.03821	1.2
159.04523	24.9
160.04854	0.9
161.02463	2.6
161.04852	0.9
161.06073	3.3
163.04034	1.8
165.01918	4.4
165.05586	22.8
166.05971	1.0
167.03479	1.9
173.02446	2.8
174.03171	1.2
175.03989	7.7
177.05569	2.4
177.19421	0.5
177.62221	0.5
182.28951	0.5
185.02454	17.1
186.03212	4.0
189.05522	1.1
191.03526	14.5
192.03886	1.2
203.03511	5.4
204.03886	0.6
205.05093	1.2
209.04565	30.1
210.04933	1.7
214.57010	0.6
219.06862	0.8
224.04794	0.9
225.05609	1.5
233.04520	4.8
239.07190	1.7
249.05597	1.8
251.05518	6.4
253.05038	2.6
261.04156	1.3
267.06659	2.2
269.08188	1.7
277.05130	2.2
278.05820	1.2
280.03693	0.7
281.06470	0.7
293.04572	1.0
294.05399	0.7
295.06128	73.9
296.06491	8.9
311.07733	3.0
313.07150	0.9
346.72501	0.6
354.11954	1.3
371.10129	15.7
372.09848	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36772	0.2
58.85852	0.3
59.01381	1.5
62.95424	0.3
65.03060	0.2
67.05960	0.3
69.03461	0.3
71.01385	0.7
71.62220	0.5
73.11586	0.2
75.00878	11.3
76.01195	0.3
83.01369	0.3
85.02947	0.8
91.59327	0.3
101.02457	0.5
103.04287	0.6
104.05064	4.1
104.30972	0.3
106.06632	99.5
107.06961	5.1
109.02956	4.9
113.02540	0.3
117.01953	0.3
121.02963	0.3
125.02463	0.5
135.04448	0.3
145.30658	0.3
147.04445	0.4
149.02496	0.4
150.05611	100.0
151.05960	5.3
159.04553	1.3
161.04553	0.5
167.03430	0.4
175.04060	0.3
185.02437	0.8
194.04584	1.0
253.05066	0.5
283.15427	0.4
295.06097	4.0
326.12402	0.8
335.05640	0.4
370.11426	6.8
371.11823	0.6
371.20804	0.4
386.98245	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.5
61.98832	100.0
69.86250	0.6
75.00867	3.0
91.79063	0.5
98.20753	1.2
109.02950	2.8
113.55935	0.7
120.02712	0.6
120.20486	0.5
143.04976	0.6
159.04543	0.7
181.16037	0.7
222.19420	0.7
295.06219	2.3
307.19269	2.5
328.61115	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86447	0.3
59.01382	2.3
70.75594	0.5
70.75934	0.6
71.01395	1.0
72.01687	0.2
72.99319	0.6
75.00879	29.4
76.01263	0.4
81.03479	0.4
85.02974	0.4
89.02431	0.9
93.03490	0.3
93.83589	0.3
98.02473	0.3
100.18301	0.3
101.02451	1.1
101.03981	0.5
108.02186	1.3
109.02960	100.0
110.03289	4.2
113.02438	0.5
115.05547	0.6
119.03518	0.6
119.05017	0.5
121.02988	1.6
123.04523	2.2
129.03520	0.3
131.05019	1.1
135.04506	0.5
137.02422	0.4
145.02995	2.5
147.04533	2.0
151.05983	0.3
157.02985	2.3
158.03743	1.8
159.04526	24.6
160.04858	1.3
161.02452	1.4
161.06097	0.9
164.08348	0.3
167.03474	0.4
173.02441	3.3
175.04021	6.3
176.04315	0.9
177.05586	1.1
185.02449	18.3
186.03148	3.3
187.03998	0.5
197.06091	0.5
201.01930	0.6
202.02682	0.4
203.03500	5.9
204.03958	0.5
217.05154	0.3
221.06064	1.0
224.04861	0.4
225.05597	1.4
237.05608	0.4
239.07117	1.3
241.04947	0.3
249.05602	1.3
250.06346	0.8
251.07137	0.4
253.05090	2.1
254.05444	0.5
261.03992	0.6
265.05115	0.7
266.05743	0.5
267.06577	3.0
269.08124	2.1
276.04257	0.5
277.04980	2.8
278.05701	0.7
279.03061	0.5
280.03644	0.7
293.04605	1.0
294.05215	0.7
295.06113	76.0
296.06448	9.6
313.07153	1.8
313.18689	0.3
368.31699	0.4
371.07770	2.5
371.13568	1.0
372.08322	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.6
70.89641	1.0
71.01367	0.5
72.99318	0.8
75.00877	29.5
94.53630	0.4
95.54031	0.4
108.02185	1.8
109.02959	100.0
110.03304	3.8
121.02904	0.5
131.05029	0.6
145.02960	1.2
147.04550	1.1
157.02951	1.0
158.03784	1.6
159.04524	25.2
160.04849	1.8
161.02420	1.3
167.03468	0.7
173.02435	1.9
174.03339	0.6
175.03996	6.3
176.04411	0.6
177.05559	1.0
185.02454	5.0
186.03192	1.0
203.03513	7.0
217.05147	0.5
221.06154	0.5
224.04811	0.6
225.05563	1.7
239.07121	1.0
248.04820	0.6
249.05614	1.0
251.07098	0.9
253.05093	2.1
254.05620	0.5
267.06622	2.8
269.08160	1.5
277.05075	1.7
278.05688	0.7
293.04477	0.6
294.05246	0.8
295.06116	80.2
296.06485	9.8
313.07220	2.4
371.07654	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	369.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	5.0
59.01380	9.7
68.25230	0.7
71.41944	1.0
83.01382	4.2
84.35828	0.7
85.06649	0.7
91.04011	1.4
165.12811	1.0
167.12997	1.8
167.14415	34.7
168.14760	3.4
181.12352	1.1
183.88274	0.8
191.14381	4.9
207.17516	7.6
209.15457	56.8
210.15807	4.9
211.13390	7.0
223.17043	4.1
227.16496	13.0
228.16908	1.1
229.14503	1.7
233.13109	1.3
233.15463	30.8
234.15842	3.5
251.16515	69.5
252.16872	6.7
277.14401	5.2
283.19135	1.8
295.15500	33.9
296.15930	4.3
317.08823	0.7
325.20187	5.3
355.21884	0.8
369.19177	100.0
370.19510	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	369.1918
Annotation	CHEBI:66791
Peak:m/z	Relative Intensity
57.03450	4.8
59.01381	11.4
69.59453	0.4
69.60458	1.1
69.60876	2.1
71.01358	0.5
83.01379	4.9
83.05039	0.9
89.02470	0.5
91.04007	1.8
111.88153	0.4
113.92852	0.5
154.48854	0.4
165.12854	1.2
167.14410	37.9
168.14720	2.2
181.12363	1.1
189.16507	1.6
191.14418	5.9
192.14705	0.5
193.12331	0.8
207.17542	7.9
208.17813	0.8
209.15466	59.7
210.15813	5.1
211.13391	7.4
212.13696	0.7
223.17087	4.1
224.17352	0.8
227.16541	13.7
228.16881	1.0
229.14369	2.1
233.15462	32.3
234.15781	3.3
249.99269	0.4
251.16516	75.3
252.16830	8.2
277.14481	5.0
278.14731	0.5
283.19308	1.3
295.15500	32.7
296.15802	3.8
325.20230	3.8
326.20541	0.7
369.19165	100.0
370.19510	14.3
379.55374	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2127
Annotation	Querciformolide D
Peak:m/z	Relative Intensity
51.05854	1.0
56.00438	1.2
56.74776	1.0
57.03191	1.2
57.03453	19.4
59.01149	1.6
59.01388	18.8
61.98819	2.0
69.03445	2.2
69.55089	6.4
69.55497	2.0
83.01376	1.9
84.02168	5.2
96.95982	1.9
122.10116	1.1
127.11285	1.8
135.39699	1.2
139.51358	1.4
147.04507	1.2
149.09593	1.3
167.10776	13.3
221.19072	6.7
231.98125	1.2
233.19096	1.5
235.20660	8.4
237.18599	2.2
237.22234	13.3
238.22343	1.8
251.23891	2.5
253.21698	8.5
259.20685	2.4
261.22165	4.8
263.20096	1.5
277.21829	5.6
279.23288	29.4
280.23624	3.9
281.21265	7.1
295.22733	3.4
299.22211	1.6
305.21146	1.7
321.20694	1.8
323.22296	27.9
324.22534	4.4
328.86890	1.4
367.21198	100.0
367.24902	7.6
368.21597	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	367.2642
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
52.60651	0.4
61.57161	0.4
71.61162	1.0
77.98608	0.5
126.64241	0.4
133.06607	2.1
138.61020	0.5
142.59410	0.5
149.09723	85.1
150.10089	5.6
184.24762	0.5
205.15971	85.5
206.16324	7.7
218.70633	0.5
297.19275	0.5
301.58380	0.5
350.85098	0.5
367.26413	100.0
368.26749	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	369.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.4
71.01401	0.7
72.30573	0.5
73.02950	5.5
75.00884	1.0
87.00883	100.0
88.01225	1.0
88.55724	0.5
97.06600	2.8
98.20620	1.5
112.01678	1.2
113.06077	2.4
115.07644	0.7
123.08164	2.6
125.09752	2.7
126.06794	0.8
137.09727	1.1
139.07646	1.3
151.11302	1.9
155.10815	4.7
157.08746	3.4
167.07071	2.0
167.10771	0.9
169.12262	0.8
193.15993	1.7
209.15555	1.3
219.17570	0.9
237.15005	0.9
237.18651	2.3
239.16663	0.8
263.16559	2.7
265.05020	1.0
265.14395	1.4
269.00787	0.7
281.14096	3.7
281.17575	38.3
282.14804	0.7
282.17957	4.6
283.15533	3.9
283.31714	0.6
297.17056	1.1
307.15518	1.6
325.07199	1.5
325.16617	7.2
326.16904	1.0
369.15530	20.6
370.15982	3.3
373.81595	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75377	2.5
57.03450	10.9
59.01389	34.8
67.10015	2.5
77.36288	2.6
83.01401	2.5
83.05016	3.3
96.96055	6.3
97.06615	3.1
97.62499	2.4
118.78435	3.0
123.80621	2.7
129.89470	2.4
135.04453	2.5
141.26726	2.3
161.02457	7.9
179.14452	8.3
193.16023	4.5
195.17560	5.5
213.05475	3.2
219.17549	100.0
220.17885	10.0
221.15573	11.8
235.17090	7.1
237.18608	15.3
239.16570	5.2
241.04961	5.2
245.15436	7.9
263.16571	31.1
264.16827	4.4
269.04572	8.7
270.05344	11.4
279.16037	11.8
281.17587	13.6
289.14471	6.3
293.17596	3.1
307.15518	64.7
308.15857	8.1
325.16589	52.9
326.16937	5.3
367.12448	3.6
367.17664	42.3
367.21713	4.0
368.18100	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	367.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.5
59.01384	100.0
60.01740	1.2
63.01305	0.4
63.84639	0.5
71.01384	5.5
71.11487	0.5
73.02956	2.2
75.00874	1.1
83.01375	1.0
85.02959	2.3
89.02447	0.8
99.00872	1.0
101.02457	4.5
103.53887	0.5
104.17257	0.5
106.22723	0.5
113.02446	3.2
117.03471	4.6
119.05028	2.8
131.10574	0.5
137.47955	0.5
145.02959	17.9
145.08763	0.6
146.03351	0.6
159.03075	1.0
159.04430	0.5
161.04561	4.2
163.04037	2.4
187.04005	1.1
307.17630	10.6
307.20856	0.7
308.18066	0.9
367.18817	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	367.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	14.2
59.01389	5.4
69.03444	0.9
70.63686	2.4
75.00879	1.7
81.03461	10.0
83.01391	5.6
83.05038	1.8
85.68537	0.7
96.96030	4.2
112.98827	1.0
119.05044	0.7
122.03739	0.8
125.02451	100.0
126.02789	2.7
149.81078	0.7
161.02483	1.2
167.14449	1.0
179.14424	5.4
191.60925	0.8
193.15948	1.6
195.13866	2.2
195.17595	4.4
197.15504	4.1
197.17010	0.7
209.15482	0.8
209.19099	1.1
211.17061	2.0
217.16052	1.0
219.17586	1.1
221.15501	9.4
235.17038	2.9
235.20610	0.8
237.14908	1.5
237.18619	3.3
239.16544	12.5
240.16841	1.5
241.05263	0.8
251.16513	1.2
251.20241	0.9
257.49677	0.7
261.18674	1.3
263.16415	1.5
265.14456	0.9
270.05267	1.7
277.18140	8.6
279.19730	6.0
280.19904	1.1
281.17618	2.0
293.17670	1.0
305.17947	0.9
321.17172	3.7
323.18665	5.4
367.17627	60.4
368.18015	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	367.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	4.2
61.30285	0.2
66.13821	0.2
71.01389	2.3
71.60843	0.2
72.99312	0.2
73.02957	3.1
75.00886	0.6
81.54942	0.2
83.01394	0.9
83.14451	0.1
85.02974	0.3
87.00870	0.2
89.02463	0.4
100.54740	0.2
101.02466	1.5
113.02479	0.7
117.03478	24.5
118.03823	1.2
119.05029	6.0
120.05344	0.4
123.42888	0.2
124.91961	0.2
131.05049	0.2
133.06618	0.6
145.02966	100.0
146.03299	5.7
159.04507	0.8
161.06122	1.0
163.04019	8.1
164.04317	0.5
175.08656	0.2
187.04013	3.4
188.04449	0.2
191.05547	0.3
203.07121	0.2
205.05081	0.7
205.31367	0.2
229.05191	0.2
249.82213	0.2
307.12048	0.2
361.86783	0.2
367.10367	2.8
368.10699	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05336	2.8
54.84471	2.7
59.01369	8.2
70.80403	5.6
70.80735	6.4
71.01376	12.3
72.99310	6.7
73.02950	21.0
75.00888	5.4
78.95893	5.4
81.03457	4.0
83.05024	6.9
85.02937	8.7
89.02435	5.2
93.03466	41.9
94.03783	3.0
99.00875	9.2
99.04530	6.1
101.02497	3.5
111.04517	18.7
112.98837	5.1
121.03013	3.3
123.04569	4.8
125.02426	6.0
129.01968	4.6
136.93965	4.3
137.02434	12.4
143.03456	5.2
152.01181	5.1
154.90581	6.5
154.93373	3.3
155.03487	10.2
160.04025	12.3
161.04401	15.7
167.03494	11.1
169.01434	7.2
173.03081	6.0
173.04562	100.0
174.05000	3.9
177.00394	3.3
200.01300	3.3
232.07185	3.2
268.96445	5.0
269.93146	3.4
348.95386	5.2
367.08383	4.1
367.65158	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45599	0.9
59.01382	4.8
71.01395	1.2
74.68519	0.9
75.00869	1.7
76.44137	0.9
109.46236	0.9
119.05030	100.0
120.05408	5.0
128.40387	0.8
152.39404	0.9
162.39120	0.9
223.07584	1.3
251.90114	0.9
252.93507	0.9
253.92897	1.0
256.58090	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	7.2
59.22717	0.3
71.01363	0.7
71.41734	0.6
73.02928	0.3
75.00875	0.6
93.03447	0.6
101.02449	0.5
117.03460	1.7
119.05033	100.0
120.05369	5.5
123.04613	0.3
142.06651	0.3
145.02956	7.4
161.06026	0.5
163.04018	74.2
164.04362	4.6
187.03993	0.4
205.05086	0.6
291.06561	0.4
307.17871	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.197
Annotation	Sinulariolone
Peak:m/z	Relative Intensity
53.11338	0.5
57.03454	11.2
59.01381	1.9
61.98829	0.9
65.00333	0.9
75.11364	0.5
81.03464	12.2
82.03826	0.5
83.01397	4.3
85.96868	0.5
96.95999	0.9
99.92600	2.9
102.27380	0.6
115.92094	0.6
116.92875	1.7
125.02453	100.0
126.02814	4.4
195.17537	12.0
196.17857	0.8
224.58910	0.6
235.20668	2.4
237.18619	21.5
238.18956	2.5
239.16461	2.6
255.19739	1.2
257.17563	1.3
259.20642	1.9
261.18588	2.0
277.21713	1.8
279.19635	6.7
303.19678	3.7
304.20154	0.7
305.76990	0.7
321.20767	6.0
322.21054	0.9
365.19681	50.1
366.19968	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96644	0.2
59.01373	0.2
69.33228	0.9
69.33656	0.7
69.77783	0.2
70.92300	0.2
72.20729	0.2
89.83482	0.2
98.20642	0.4
98.79229	0.2
116.05076	3.5
131.03601	0.2
132.04556	0.4
159.03284	0.5
160.04053	100.0
161.04407	5.7
193.51082	0.2
204.03017	4.5
205.03333	0.3
358.37784	0.2
366.08304	16.6
367.08566	1.9
385.95865	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1143
Annotation	N,N-Didesmethylgrossularine 1
Peak:m/z	Relative Intensity
57.37889	0.5
59.01385	4.4
61.88282	0.6
69.26107	4.4
71.01385	1.1
75.00887	1.3
80.02663	0.5
86.02495	1.4
92.05072	1.4
93.03461	2.6
98.19851	1.3
99.00890	0.5
100.39195	0.5
101.61814	0.5
112.00415	1.9
116.05040	0.6
117.03477	2.4
118.03014	0.9
119.05038	100.0
120.04575	0.9
120.05374	4.6
130.06581	0.7
131.03792	7.6
132.04579	8.2
135.04538	2.1
144.04533	2.6
145.02959	16.1
145.04079	3.5
146.03304	0.8
146.06090	1.1
147.08156	1.9
157.07733	7.9
158.06129	6.4
162.05620	17.3
163.04025	1.7
173.03600	0.7
175.08835	0.7
183.04555	0.6
188.07193	3.4
190.08727	0.9
201.06717	8.4
219.07762	9.7
220.08096	1.3
228.04063	0.5
229.06354	0.6
232.06268	1.0
250.08684	2.2
255.02792	0.6
275.11990	1.3
293.09351	2.7
303.11496	1.8
321.12137	1.6
347.10294	0.8
365.11429	45.3
366.11780	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	365.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.0
70.35729	0.4
72.00918	3.8
74.02494	0.9
83.79739	0.4
100.00413	13.7
107.05050	1.0
109.02970	1.2
112.28999	0.4
116.05068	4.8
118.96648	0.4
128.96988	0.4
130.06630	2.8
133.02963	8.4
134.03783	2.6
135.04535	100.0
136.04858	5.3
140.78746	0.4
142.06630	23.4
143.06972	1.4
157.07700	0.6
159.09291	0.9
161.02454	24.7
162.02823	1.6
175.00735	0.4
185.07225	1.4
186.05602	10.9
203.08235	3.5
229.06181	45.9
230.06523	3.6
296.54745	0.4
310.45328	0.4
365.11404	3.0
366.11768	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.6
69.28452	0.6
69.28860	2.0
72.00914	3.6
72.26323	0.3
74.02484	1.0
91.05538	0.4
92.42712	0.2
100.00417	10.8
100.78017	0.2
107.05030	0.8
109.02966	0.9
116.05077	4.8
117.03465	0.9
119.05031	0.4
130.06638	3.0
132.02167	0.7
133.02200	0.2
133.02966	7.3
134.03789	2.6
135.04533	100.0
136.03874	0.3
136.04871	4.9
142.06631	24.8
143.07016	1.8
159.09293	1.8
161.02454	23.3
161.03928	0.3
162.02782	1.3
176.37527	0.3
185.07141	1.6
186.05606	11.1
187.05905	0.7
203.08273	3.2
229.06181	47.2
230.06494	4.1
233.88574	0.3
321.12479	0.6
365.11371	2.8
366.11798	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	35.4
69.63676	51.6
71.01389	23.7
72.99313	100.0
73.01469	6.8
73.02943	17.5
73.92309	9.3
74.74066	10.3
75.00866	9.4
80.35255	6.5
99.00865	13.8
101.02450	14.8
106.90069	8.0
111.04543	13.8
112.98805	28.1
121.03030	11.3
129.05577	56.3
135.04555	8.8
142.99841	29.8
155.03510	35.3
160.04070	8.4
173.00934	17.5
173.04576	44.1
221.01285	8.8
263.02328	32.1
277.00443	12.3
279.57755	7.7
286.04028	8.7
291.36700	6.6
295.57254	6.7
337.02478	30.2
339.80185	7.1
365.14557	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	53.2
59.91735	7.9
60.77145	8.3
67.75761	9.6
68.02611	8.8
71.01374	26.1
71.60663	11.1
72.99306	92.2
73.02944	17.5
83.01375	13.1
83.05018	13.7
96.96037	10.4
99.00866	8.7
101.02428	12.2
111.00871	15.5
111.04546	21.5
112.98807	36.9
114.98842	8.6
117.00459	8.7
128.17372	10.0
129.05588	100.0
142.99863	35.1
155.03502	31.0
160.03995	28.9
173.00833	19.4
173.04485	51.8
200.98972	17.4
215.73106	8.8
218.68875	8.4
221.01236	10.5
235.43228	8.3
263.02206	18.7
270.64120	9.6
286.16144	11.6
337.02505	20.5
365.14810	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40791	0.3
52.09885	0.3
54.64674	0.4
58.02982	0.3
59.01381	4.2
59.49875	0.4
71.01381	0.8
72.00902	0.4
73.26599	0.4
75.00872	1.3
75.56693	0.3
85.02962	0.5
86.02499	0.8
92.05064	1.3
93.03465	2.7
96.96022	0.6
97.97456	0.4
100.00438	0.4
112.00401	1.9
116.05075	0.7
117.03470	3.0
118.02999	0.4
119.05029	100.0
120.04603	0.7
120.05364	4.8
128.05032	0.5
130.06668	0.5
131.03780	7.9
132.04553	8.6
133.04843	0.6
133.06529	0.4
135.04555	2.1
137.99727	0.4
144.04538	2.5
145.02992	16.3
145.04079	3.0
146.03308	0.8
146.06113	1.5
147.04553	0.5
147.05644	0.5
147.08177	2.0
157.07729	6.6
158.06119	7.1
158.08049	0.5
161.02406	0.5
162.05611	17.0
163.04004	1.6
163.05951	1.1
166.50880	0.4
171.99083	0.4
173.03603	0.6
174.05583	0.6
175.08784	0.4
186.05531	0.4
188.07152	3.7
190.08652	0.8
201.06693	6.6
202.07097	0.5
219.07733	9.8
220.07988	0.7
227.03506	0.6
229.06264	0.4
232.06078	1.2
245.05632	0.4
249.10408	0.5
250.08676	2.7
255.03065	0.4
275.11978	1.0
284.03186	0.7
285.03958	0.6
293.09399	2.5
303.11343	1.7
315.01013	0.3
321.12109	1.2
321.15878	0.4
347.10419	0.6
365.11404	44.1
365.19824	1.3
366.11703	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	364.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03973	1.2
55.01880	1.0
57.03444	1.2
57.17742	0.9
58.00597	1.7
59.01385	100.0
60.01708	3.1
69.53539	8.6
71.01386	48.9
72.01743	1.3
72.99310	3.2
73.02953	26.4
75.00879	8.9
77.51289	1.0
83.01408	9.4
83.42714	1.0
85.02952	11.3
86.02493	2.6
87.00881	2.7
89.02454	28.1
90.02781	0.9
90.56800	1.1
93.03448	1.9
95.01391	3.2
99.00887	3.1
100.00421	6.5
101.02452	33.2
102.02810	1.3
109.02966	1.3
112.00397	3.1
113.02461	26.2
114.02796	1.3
117.03454	2.8
119.03521	10.0
119.05019	16.4
121.26980	1.1
122.27829	0.9
125.02500	1.1
130.95821	1.1
131.03598	2.3
132.04565	11.8
133.02969	1.4
135.04530	10.3
142.06607	6.5
143.03528	3.7
144.04568	3.9
145.02959	21.4
146.06175	1.5
147.04538	1.3
157.07730	5.3
158.06125	2.0
160.07693	4.2
161.02486	5.9
161.04576	8.1
166.05107	1.8
176.07181	3.5
179.05620	1.3
188.07133	2.2
216.57515	0.9
219.07771	16.2
220.06078	6.4
224.07159	1.6
227.03429	1.1
229.06146	3.5
245.05701	1.1
255.03064	1.2
257.08078	1.2
279.65311	1.2
293.09372	1.3
304.11917	20.8
305.12152	2.6
322.12949	27.0
323.13251	2.4
364.14221	1.1
365.11459	17.8
365.19382	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16837	0.9
59.01383	100.0
69.56512	7.3
106.01021	1.1
125.84562	1.0
150.67937	1.2
160.04764	1.0
226.10397	1.0
229.18097	2.4
256.34494	1.1
289.19199	1.1
319.50018	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.98823	2.6
71.01342	3.0
71.19188	4.8
75.00867	8.3
75.65846	2.3
79.55062	2.0
83.46906	2.1
96.85005	2.0
96.95990	2.8
161.02441	2.3
165.05603	2.6
167.70425	2.3
188.27509	2.1
196.96474	2.3
209.11879	2.4
225.69179	2.1
229.17941	2.5
363.17563	3.8
374.08765	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	364.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33048	0.8
54.60429	0.7
58.50644	0.6
59.01377	3.3
61.98834	100.0
71.01405	0.9
71.52385	0.7
72.99303	3.6
73.02953	1.3
74.92560	0.7
75.00898	0.8
89.04938	0.7
99.92608	2.2
101.02472	1.2
103.62926	0.6
105.14439	0.7
113.49216	0.8
119.05039	0.8
124.83086	0.7
139.04034	2.3
144.60449	0.7
170.66756	0.8
209.86581	0.7
241.01178	0.7
336.01361	1.3
365.14706	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40461	0.6
55.02024	0.6
56.58399	0.7
59.01384	5.2
65.01627	0.6
69.43584	4.8
71.01392	2.5
71.69894	0.6
73.02964	0.9
74.46279	0.7
74.94778	0.6
75.00893	1.2
76.50603	0.7
85.02966	1.1
89.02468	1.1
93.03466	2.6
96.00947	0.7
98.02478	3.2
101.02435	2.3
109.01706	1.2
113.02466	0.9
116.05085	4.1
117.03481	2.2
118.03046	1.1
118.93041	0.7
119.05038	27.0
120.05342	1.0
121.02956	1.6
123.04516	1.4
123.37691	0.7
130.04269	6.9
130.06647	1.9
131.03874	1.3
131.05038	7.9
132.04524	0.8
132.05855	1.2
134.03780	0.8
134.06143	1.0
142.03047	0.8
143.03648	0.7
144.04529	1.1
145.02971	2.7
146.03772	1.3
146.06110	3.5
147.04538	17.9
156.04607	0.8
157.05345	19.3
158.06128	63.2
159.04526	3.0
159.06468	4.2
160.04047	1.6
173.04825	0.7
174.05612	16.2
175.04091	1.1
180.83327	0.7
201.04341	0.8
202.05121	100.0
203.05486	6.7
231.57274	0.7
234.07727	75.2
235.08075	6.0
237.64830	0.7
308.15714	0.6
363.13516	34.6
364.13708	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	363.1817
Annotation	Gibberellin A97
Peak:m/z	Relative Intensity
59.01381	6.5
61.98823	1.3
62.10937	0.4
71.01376	1.5
73.30713	0.5
75.00883	0.9
77.94564	0.5
79.95748	1.3
84.94019	0.5
85.02958	0.9
87.64618	0.5
98.20676	0.8
101.02422	1.5
106.37126	0.5
113.02448	1.0
119.05025	0.5
121.02921	0.7
133.42336	0.5
134.01311	0.5
135.08206	0.7
137.09715	1.8
150.06918	0.9
161.02364	0.5
161.04480	0.7
165.05603	2.7
165.09192	0.9
240.15530	0.7
241.15982	38.1
242.16335	4.8
255.17511	2.8
257.19110	17.0
257.21835	0.8
258.19446	1.6
265.29147	0.5
268.14935	0.7
273.64450	0.6
275.20187	4.3
283.16919	4.0
284.03091	0.8
284.17319	0.6
292.81531	0.5
301.18085	50.0
302.18411	6.8
319.19156	6.4
320.19431	1.1
343.35208	0.6
345.17114	13.3
346.17435	1.7
359.16110	0.6
363.18130	100.0
364.18445	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	363.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14737	1.8
52.58072	2.1
59.01383	100.0
59.99038	2.1
61.98825	6.7
75.00898	2.6
78.03695	2.4
91.66588	1.9
96.96006	3.5
137.02301	1.9
208.60779	1.9
229.18060	8.8
277.21768	2.2
363.17868	3.1
363.21964	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	363.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58259	1.0
52.68441	1.0
59.01385	100.0
59.71655	1.2
60.01701	1.9
62.31098	1.2
70.59233	1.2
72.73978	1.2
75.00878	2.6
96.96031	1.6
101.35170	1.5
142.48862	1.4
229.18126	3.3
319.19202	4.0
363.18143	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	363.0211
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.4
66.47001	0.9
70.32560	3.0
71.01384	1.0
72.99314	100.0
74.99388	1.3
75.00888	2.2
98.19987	1.3
99.83562	1.1
101.00906	1.0
107.78737	0.9
110.38605	0.9
113.00938	1.3
115.99656	1.4
119.05017	2.1
119.73798	1.1
125.00964	1.6
135.04520	9.6
141.00546	1.2
143.99100	1.4
147.04509	3.1
153.00426	2.5
156.99878	0.9
161.02446	1.2
173.04601	9.4
174.04738	1.0
175.02539	14.3
175.04031	2.5
176.02713	1.8
179.03554	4.8
183.01515	1.0
187.02548	1.8
187.99704	1.7
189.23436	1.0
190.01221	6.4
195.01459	5.3
201.02556	1.7
215.01952	1.7
217.03596	12.4
218.00809	1.6
218.03819	1.4
219.01480	21.5
220.01660	1.9
229.03714	1.0
230.00623	1.2
243.03598	11.5
244.03920	1.8
260.01675	1.4
261.02563	54.9
262.02789	9.1
273.02606	1.6
275.00558	10.6
275.03586	1.4
276.00385	1.4
335.02646	40.8
336.02768	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	363.0988
Annotation	10-Hydroxycamptothecin
Peak:m/z	Relative Intensity
57.21809	0.5
58.69627	0.7
59.01384	3.3
71.01373	1.5
73.02967	1.3
75.00874	6.2
83.78635	0.6
89.02458	1.3
92.40202	0.6
101.02474	0.9
109.02938	0.7
123.04560	0.7
133.02957	1.4
135.04520	1.6
159.04454	1.0
161.02489	3.8
185.02472	0.7
195.05614	5.1
201.05511	0.7
211.03966	1.7
220.07681	11.7
222.71805	0.6
226.05154	2.9
226.07178	0.7
227.05887	4.5
230.06137	1.2
231.06946	0.8
232.07611	3.2
247.06305	3.2
248.07156	8.9
249.07616	1.6
250.08760	10.5
251.09277	0.7
258.05746	0.7
259.06454	2.2
260.06989	1.3
275.05908	6.6
275.11908	1.7
276.06659	100.0
277.07040	10.6
283.06140	1.0
284.06952	0.8
291.11166	0.7
301.09885	4.6
302.08157	1.1
317.09198	2.0
319.10873	43.1
320.11270	5.0
363.09866	80.5
364.10190	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	361.236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	17.9
69.34106	2.7
69.34534	4.1
81.07132	0.8
92.07079	0.7
108.25664	0.8
132.35323	0.7
231.17522	1.2
233.15427	1.0
261.22205	0.9
270.85645	0.7
273.18781	1.3
279.23294	100.0
280.23627	11.6
317.17526	2.5
361.16772	4.5
361.23602	19.2
362.24014	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01096	5.0
59.01381	100.0
75.46226	2.9
101.17471	3.0
191.14464	3.7
224.06914	16.7
229.69229	3.6
231.17493	6.4
262.31354	2.7
288.54410	3.4
317.17490	10.6
361.16553	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86184	6.1
52.94238	6.0
54.40814	5.9
58.64411	6.4
59.01384	100.0
61.41364	7.1
71.03205	19.4
71.84322	6.0
74.14140	6.0
85.69102	7.5
95.34956	6.2
104.67226	6.9
231.17560	14.2
233.15430	10.7
273.18533	10.0
281.11517	7.0
317.17545	20.9
349.96954	6.9
361.16547	54.6
361.20355	12.1
362.16714	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.9898
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	11.6
60.01713	1.2
61.01809	0.6
61.98835	100.0
71.60157	0.6
72.99338	0.5
78.91902	0.4
96.68424	0.3
119.08183	0.3
131.26276	0.3
141.15749	0.3
159.97371	0.8
161.98877	0.7
164.96417	0.4
174.99294	1.1
175.99591	0.5
178.98528	0.8
183.96471	0.3
201.02594	1.3
203.02167	0.6
203.72125	0.4
203.99992	4.6
204.02701	0.8
206.97501	0.5
217.00290	3.6
217.97997	0.7
218.00645	3.9
219.00327	1.1
219.97758	51.1
220.96008	0.3
220.97668	0.4
220.99716	4.9
277.96893	0.7
277.99652	0.9
286.74036	0.4
305.95477	0.4
319.97989	1.1
320.00980	0.9
361.99036	2.9
362.02188	1.5
363.00641	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73492	0.5
54.74737	0.5
55.01894	1.1
55.50320	0.5
57.03445	1.0
58.00582	0.6
58.59276	0.6
59.01383	100.0
60.01704	0.8
69.51025	2.1
69.51457	1.7
71.01385	19.6
71.01762	1.0
72.99310	0.8
73.02954	5.5
75.00892	2.2
77.20958	0.5
79.95943	0.6
83.01395	2.5
85.02949	7.3
87.00898	0.9
89.02452	9.5
93.03474	0.8
95.01419	1.5
98.19842	0.5
99.00913	1.3
101.02448	15.5
101.03084	1.0
113.02465	7.9
119.03497	4.2
119.05037	0.7
133.05356	0.7
134.06033	0.7
143.03508	1.3
145.02956	0.9
155.10776	0.8
157.12320	0.8
159.03027	1.1
161.04575	7.8
163.04039	0.5
179.05643	1.0
199.13492	1.1
249.62544	0.5
301.16684	4.4
301.20007	0.8
302.17188	0.6
319.17691	31.2
319.21277	4.8
320.17935	3.5
361.10742	1.3
361.18781	3.5
361.22354	4.6
361.26172	0.9
362.18820	1.9
362.22849	1.0
383.52667	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.7
57.03443	1.6
57.41741	0.5
58.00586	1.0
59.01097	0.9
59.01386	17.6
70.37521	1.0
71.01391	14.5
72.99315	2.1
73.02955	4.1
75.00908	0.9
83.01015	0.4
83.01399	4.0
85.02962	7.9
86.00117	0.6
87.00902	1.2
89.02449	2.6
95.01395	1.6
98.64724	0.5
99.00885	1.9
101.02452	10.6
109.53017	0.4
111.00893	0.8
113.02452	3.0
119.03516	0.6
135.23117	0.4
139.11317	0.6
153.27094	0.4
181.12398	0.7
199.11639	0.8
199.13396	7.3
200.13774	0.4
343.17612	1.6
361.18701	100.0
362.19049	13.4
362.22412	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2022
Annotation	Cespihypotin S
Peak:m/z	Relative Intensity
51.91187	0.4
54.50227	0.3
69.74689	0.3
80.08411	0.3
112.30591	0.3
117.03472	16.7
118.03804	0.7
119.04218	0.6
119.05029	7.4
121.02969	1.0
145.02959	100.0
146.02220	0.5
146.03304	6.1
163.04004	4.2
164.04224	0.3
191.14404	0.3
207.17458	0.4
215.16516	11.1
216.16830	0.9
231.17566	0.5
248.24448	0.4
275.16681	0.4
309.77051	0.3
317.17529	0.8
334.29205	0.3
343.19058	1.1
361.16522	1.7
361.20218	20.1
362.20621	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	361.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63912	0.6
57.03437	1.0
59.01383	55.6
69.70035	0.6
71.01382	2.9
71.61687	1.2
72.99307	1.4
73.02940	0.8
75.00874	2.1
89.02445	1.6
91.04030	0.9
101.02455	1.7
103.52444	0.7
111.08163	2.4
155.14407	0.8
161.04808	1.3
165.12849	24.9
166.13196	1.3
183.13902	100.0
184.14229	8.1
199.13393	32.9
200.13768	2.4
205.03839	3.3
209.11841	3.5
227.12889	25.1
228.13220	1.9
231.99686	0.7
245.13939	55.0
246.14272	3.9
269.14056	2.0
287.14990	2.9
301.16589	23.1
302.16824	2.7
319.17621	82.6
320.17981	7.9
323.41153	0.9
329.11536	2.0
361.18683	42.0
361.26144	1.4
362.18951	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	361.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76286	0.8
57.03444	1.1
59.01383	60.4
60.82206	0.7
61.74956	0.8
65.17155	0.7
69.21683	0.7
71.01398	2.0
72.99234	0.9
73.02931	1.4
75.00877	1.5
84.42628	0.8
89.02444	1.0
91.04001	1.4
110.67459	0.7
111.08193	2.6
119.52053	0.7
125.57298	0.8
134.87268	0.8
161.04770	1.5
165.12857	23.8
166.13156	1.8
181.12332	1.8
183.13904	100.0
184.14232	5.4
199.13402	36.8
200.13763	2.4
205.03836	2.8
209.11839	5.4
215.36574	0.8
227.12900	27.0
228.13138	1.7
241.59390	0.8
245.13936	50.9
246.14340	3.0
269.13916	1.3
287.15094	2.5
301.16580	26.1
301.20059	1.4
302.16916	2.1
319.17633	91.1
320.17960	9.7
329.11536	1.6
361.10764	1.6
361.18704	42.7
362.18942	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	361.1658
Annotation	3,4,5,3',4',5'-Hexamethoxybibenzyl
Peak:m/z	Relative Intensity
57.03455	5.3
59.01384	1.3
65.00338	1.7
69.29982	2.8
81.03471	3.7
83.01400	7.3
83.05051	1.0
95.05011	0.4
97.06614	0.4
98.06174	0.3
98.20666	0.7
99.41814	0.3
109.02931	0.3
109.06615	0.5
111.08083	0.4
120.05830	0.4
121.06593	1.2
122.03782	0.7
123.04525	4.5
125.02457	7.6
126.02757	0.5
133.06615	2.3
135.04552	1.7
135.08167	0.6
137.09764	0.3
137.98198	0.3
138.66382	0.3
145.06601	0.6
146.07373	0.7
147.08249	0.6
167.14439	10.2
168.14758	0.9
189.16483	2.0
191.14426	14.3
192.14732	1.4
203.14311	0.6
205.16103	0.4
207.17557	9.1
208.17886	1.3
209.15500	1.2
215.14426	1.1
225.18648	2.1
229.15918	0.6
231.17543	29.6
232.17888	3.2
233.13120	0.6
233.15475	11.2
234.15825	1.2
245.19078	3.6
247.17165	0.5
249.18643	4.8
250.18877	0.5
251.16583	1.2
255.17566	0.8
257.15439	0.5
273.18619	21.8
274.18933	2.7
275.16537	14.4
276.16827	1.4
277.14478	2.9
278.14780	0.6
293.17566	7.8
294.17850	1.2
299.16620	0.6
317.17581	41.0
318.17914	5.7
319.15543	4.7
320.15805	0.5
343.15656	0.4
361.16580	100.0
362.16931	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	361.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80354	0.7
63.65291	0.7
69.49197	3.8
69.49609	2.2
72.99314	30.2
76.07751	0.8
76.88448	0.8
78.00313	0.7
95.05019	1.3
98.19868	1.1
104.05046	1.0
106.06604	0.8
107.03806	1.0
110.06121	5.0
117.48006	0.9
122.05304	1.4
122.06135	16.3
123.06417	1.3
132.04572	40.3
133.05367	24.3
134.06107	1.5
136.05865	0.8
138.05586	1.7
148.04082	1.3
162.05560	1.0
165.04337	17.0
166.05025	2.6
168.55501	0.8
176.03520	2.5
177.04289	6.7
178.04576	0.8
182.06134	0.9
186.09264	1.6
190.77882	0.8
201.10364	8.3
209.03328	8.0
212.10818	9.9
213.10312	4.7
226.07304	0.9
229.09698	1.7
239.08264	0.9
241.09665	0.8
243.11426	20.3
243.13867	1.6
244.11729	2.1
255.11404	33.1
256.11783	4.4
271.10806	1.3
281.09174	0.9
287.10382	21.6
288.10699	2.4
299.10364	18.0
300.10593	1.7
317.11420	14.2
318.11725	1.4
343.09399	7.7
344.09317	1.0
361.10422	100.0
362.10733	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
61.76624	0.9
63.10271	0.9
72.99310	37.1
77.72855	1.2
77.87668	1.2
92.10281	1.2
95.03725	1.4
95.05083	2.0
102.68710	1.0
104.05075	2.4
106.06583	1.8
108.04629	1.6
110.06097	7.3
113.09410	1.2
121.05315	2.1
121.81804	1.1
122.06116	21.8
123.06429	1.6
132.04559	52.2
133.05362	30.8
134.06181	5.8
134.69032	1.2
138.05612	3.7
144.94063	1.2
146.02469	1.2
148.04095	1.4
165.04317	27.6
166.05029	3.5
174.68932	1.1
176.03503	3.4
177.04317	8.9
186.09120	1.5
201.10313	8.4
202.10664	1.1
209.03288	11.9
212.10841	12.8
213.10309	5.3
229.09612	1.8
241.09843	1.3
241.89702	1.2
243.11374	22.1
244.11658	3.2
245.12985	1.0
255.11394	40.7
256.11789	5.7
287.10379	30.9
288.10745	1.8
299.06958	1.7
299.10370	27.2
300.10648	3.4
317.11432	18.5
318.11707	2.3
343.09360	14.6
361.10397	100.0
362.10739	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	360.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	8.2
63.55208	1.3
63.95120	0.8
69.30762	8.3
71.01393	1.9
72.99319	4.1
75.00890	2.4
85.03014	0.9
85.49393	0.9
89.02431	1.4
94.87868	1.3
95.22325	0.9
101.02416	1.3
112.57378	0.9
123.03289	5.1
126.09070	1.1
132.04559	4.3
133.05330	2.0
138.05620	100.0
138.71155	1.1
139.05975	4.0
152.07176	1.4
165.04349	2.7
209.03294	1.2
243.11411	2.3
255.11450	3.0
282.09967	1.4
287.10291	3.0
300.10947	2.4
317.11331	1.6
360.17490	1.4
361.10440	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	360.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98280	0.8
59.01382	44.4
63.33244	0.8
67.48824	0.8
67.56726	0.8
69.03465	1.6
71.01382	5.5
71.84513	0.9
72.92659	0.7
72.99318	3.6
73.02953	1.7
75.00874	2.6
78.61566	0.7
79.74429	0.8
83.01407	1.5
85.02956	2.4
89.02435	2.2
93.03468	0.9
95.05003	0.8
96.67741	0.9
98.19816	1.7
100.79683	1.0
101.02473	4.5
109.02963	0.9
113.02457	2.7
119.03513	1.7
122.06128	2.4
123.03252	4.2
132.04587	4.8
133.05367	1.5
135.04536	3.6
138.02007	1.9
138.05615	100.0
139.05960	3.8
148.04095	1.1
152.07176	1.2
161.04530	1.7
165.04324	2.2
180.06786	0.8
181.12379	1.8
192.06664	2.3
201.10445	0.8
212.10864	1.7
243.11348	2.4
244.11699	2.0
255.11432	4.2
273.11792	0.9
282.09814	14.6
287.10263	1.9
288.10785	1.9
299.10385	2.2
300.10895	5.9
343.09366	1.6
343.13547	1.0
360.08932	1.4
361.10342	13.4
361.14984	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	360.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14999	0.4
59.01389	6.5
61.02466	0.4
69.79233	2.6
71.01389	0.7
72.99313	5.8
75.00873	0.8
75.50097	0.4
85.02972	0.5
89.02451	0.6
101.02513	0.5
108.02197	7.3
110.06087	0.7
122.06128	4.1
132.04568	7.7
133.05318	4.9
134.06126	0.9
138.01981	100.0
138.05531	2.5
139.02368	3.4
156.50386	0.4
165.04330	4.0
176.03525	0.5
177.04326	1.2
180.02989	0.5
180.06642	0.6
186.09207	0.5
189.89684	0.5
201.10388	1.8
209.03271	1.4
212.10861	1.5
213.10289	0.7
243.11392	3.6
255.11456	5.8
287.10364	4.4
299.10403	3.8
317.11392	2.0
343.09363	2.4
361.10443	17.1
361.14850	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88411	0.4
59.01385	6.2
66.78753	0.3
69.53745	1.4
69.54161	1.3
69.80255	0.4
71.01382	1.2
71.42314	0.3
72.99308	5.6
73.02978	0.7
74.51035	0.4
75.00889	0.6
78.90813	0.4
86.84119	0.4
87.32776	0.3
101.02452	0.5
103.38538	0.4
110.06134	0.6
112.04049	0.4
122.06132	2.5
123.03278	5.5
132.04568	6.8
133.05359	3.9
134.06166	0.8
135.04498	0.3
138.05620	100.0
139.05974	4.3
142.33990	0.4
152.07173	0.8
165.04297	3.7
176.03529	0.7
177.04359	1.0
192.06673	0.6
201.10318	1.5
209.03325	1.6
212.10886	1.7
213.10263	0.9
229.09737	0.5
243.11438	3.3
255.11394	5.7
282.09845	1.6
287.10361	3.8
299.10437	3.5
300.10941	0.9
317.11389	2.6
343.09354	1.6
361.10410	20.8
365.82117	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	23.7
67.23273	0.5
69.34880	4.5
71.01395	0.5
99.92566	0.9
132.28970	0.4
151.66782	0.5
277.21719	100.0
278.22052	12.7
300.45737	0.6
317.66675	0.5
359.22055	16.6
360.22324	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	359.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42405	0.5
52.91464	0.6
57.03448	0.8
58.37525	0.7
59.01363	1.3
59.88536	0.6
61.98823	0.9
71.25266	1.3
81.73769	0.6
91.03975	1.0
97.02880	0.7
105.61919	0.7
199.18404	0.7
223.20677	80.6
224.21051	7.4
238.87779	0.7
241.21733	1.4
267.19662	62.5
268.20029	6.1
285.20724	100.0
286.21078	12.5
333.25775	0.7
359.24402	40.3
360.24780	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	359.244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37650	1.3
51.43656	1.3
54.43500	1.6
55.48907	1.6
59.01367	1.7
61.98822	1.7
66.91777	1.3
71.61703	2.0
75.00835	1.6
78.94795	1.4
88.92663	1.3
90.21102	1.3
138.54111	1.5
216.65627	1.7
223.20670	82.8
224.21013	7.2
241.21815	1.6
246.55028	1.7
252.11034	1.8
267.16705	2.4
267.19650	62.5
268.19916	6.8
285.20703	100.0
286.20999	10.7
316.39395	1.6
359.24417	38.8
360.24600	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	359.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	12.3
57.03444	6.9
59.01381	68.7
61.98853	10.2
64.37137	5.6
71.01389	100.0
71.61861	8.0
71.62206	7.0
73.02954	23.1
75.00872	31.7
82.51827	5.3
83.01391	14.0
85.02967	55.2
87.00890	7.8
89.02466	15.0
95.01379	8.5
97.02951	6.2
99.00911	16.9
101.02460	71.9
113.02451	44.8
119.05006	13.1
121.03043	6.4
123.04497	6.8
128.97130	5.8
135.04538	47.0
143.03448	9.4
153.09247	15.3
153.28493	5.5
159.03061	7.9
159.04576	12.0
160.05295	9.7
161.04581	43.1
161.05948	9.9
179.03575	8.0
199.07855	6.4
271.09653	6.2
315.18130	86.3
316.18582	8.5
329.14056	21.9
332.46414	6.4
359.10464	20.0
359.20642	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01722	1.3
61.00483	0.7
61.15850	0.6
69.56555	1.4
69.56978	2.7
71.01399	3.8
73.02991	1.5
75.00871	0.7
85.02966	2.3
89.02468	0.9
100.18137	0.6
101.02461	3.5
113.02475	1.5
150.20448	0.6
161.04622	1.5
185.98535	0.7
241.18092	1.1
317.19864	1.5
326.00391	0.7
359.14838	0.8
359.28113	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43856	1.5
59.01381	100.0
69.28985	14.5
71.01374	4.3
72.99313	2.3
73.02962	3.1
75.00862	1.7
81.11947	1.5
85.02951	4.6
91.03998	2.1
101.02435	5.3
139.23332	1.5
154.73805	1.5
177.77045	1.4
180.06694	1.5
182.95404	1.6
195.17511	8.0
203.53964	1.3
213.18608	5.9
217.00189	1.5
223.17093	2.1
239.16531	4.4
241.18083	93.1
242.18422	8.5
243.06592	1.9
255.19633	2.4
257.17606	2.5
285.17068	17.4
293.12457	1.4
299.18637	2.8
299.25943	4.2
317.19614	5.6
359.20792	83.2
359.27795	25.7
360.21008	13.3
360.28488	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	359.114
Annotation	Elaeocyanidin
Peak:m/z	Relative Intensity
53.65686	0.3
57.03452	12.7
59.01385	1.8
60.42321	0.3
65.00330	16.3
69.30956	3.5
73.53498	0.3
75.00883	0.4
78.89087	0.3
83.01390	9.6
98.20621	0.9
101.02492	0.4
107.27776	0.3
121.02958	0.3
125.02454	100.0
126.02776	3.4
135.04582	0.6
147.04515	0.4
153.09558	0.4
161.06128	0.6
165.01071	0.3
166.77766	0.3
189.05615	1.2
189.09201	1.8
213.09241	0.4
215.10741	0.5
217.08745	1.8
233.67757	0.3
241.08905	0.3
249.11322	2.7
273.11264	2.4
275.09354	0.6
291.12448	1.1
297.11365	0.9
303.69965	0.4
315.12418	4.9
316.12833	0.4
317.10260	0.7
328.76556	0.5
359.11380	11.0
359.28021	0.7
360.11694	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22594	0.6
59.01384	5.8
61.98839	0.9
66.85862	0.7
69.26383	8.1
71.01382	6.0
71.88713	0.7
72.99306	2.1
73.02950	0.9
74.02506	0.9
75.00883	1.8
81.03454	0.8
81.06210	0.6
81.79324	0.8
85.02932	1.1
87.40303	0.8
87.47366	0.7
89.02437	0.9
89.98717	0.7
92.02979	0.7
93.03471	2.0
98.02493	1.3
101.02444	1.1
105.07037	0.8
107.05054	0.8
108.02182	22.4
108.02900	1.6
109.02967	55.5
110.03271	1.8
114.97860	0.7
115.00385	6.4
119.05020	1.5
121.02966	5.2
122.03741	2.6
123.04534	5.9
124.01659	1.0
125.02534	1.2
131.05011	1.0
132.04546	1.8
133.02959	4.5
134.03864	1.1
135.04527	15.8
137.02484	1.6
138.05618	3.0
146.03790	1.4
147.04515	2.9
148.05327	5.4
149.06102	12.6
150.03180	0.7
159.04568	1.9
161.02460	1.8
161.04720	1.0
161.06093	21.7
162.06589	1.5
163.07695	3.5
165.04335	0.8
175.03989	1.3
177.05612	2.0
179.03494	4.0
185.06116	1.5
197.04471	0.9
197.06104	1.4
197.08128	1.2
200.10782	1.7
201.10423	0.9
213.05542	3.1
214.06322	1.3
224.04822	0.9
225.05571	1.4
225.09364	0.6
226.06416	1.3
237.09180	1.1
241.05098	7.3
242.05858	62.8
243.06520	17.3
243.11302	2.2
244.07199	0.9
253.08711	3.3
255.06770	1.2
256.07458	1.0
269.08246	2.9
271.09778	100.0
272.10077	10.9
287.10358	1.5
314.10406	1.9
315.09171	2.2
342.10605	0.8
359.07751	11.9
360.11313	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	359.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00525	0.6
57.03444	2.8
59.01382	17.8
60.01717	0.8
60.96981	0.5
61.98829	0.6
63.02411	1.0
65.00324	2.7
65.03973	0.6
67.01898	1.7
67.90373	0.5
68.99819	3.5
69.86787	2.0
71.01377	1.8
72.99310	5.2
75.00894	0.7
81.03481	1.6
83.01397	15.9
84.01750	0.6
85.02960	1.3
89.02440	0.7
91.01849	0.5
93.03480	0.9
94.02982	0.8
97.02978	0.8
101.02457	1.4
102.91037	0.5
107.01392	3.4
107.05059	0.9
109.02970	9.2
111.00898	1.1
113.02505	0.6
117.00426	0.9
119.05004	0.8
121.02930	1.1
123.04536	2.5
125.02454	39.8
126.02802	1.6
135.00923	1.1
135.04539	13.2
136.04849	0.5
137.02431	2.2
137.06099	1.0
138.01947	2.8
139.04012	0.8
149.01437	0.5
149.02425	3.1
151.00378	15.0
151.04047	0.9
152.00919	0.5
153.01949	100.0
153.05464	3.8
154.02301	3.4
157.03581	0.7
161.04532	0.6
169.01372	0.6
174.40088	0.5
174.99252	4.3
177.01962	2.7
178.99901	5.0
179.03479	5.0
189.43344	0.6
195.03004	1.8
197.04567	9.0
201.02545	5.1
214.47815	0.5
217.00311	21.4
218.00684	0.8
249.67163	0.5
274.99329	2.3
287.07675	1.2
309.63623	0.6
315.07245	7.4
316.07614	1.1
331.47729	0.6
341.05133	1.6
359.01959	1.0
359.06195	7.9
359.09958	3.4
360.10422	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	4.0
61.22628	0.8
63.03448	0.8
70.38265	3.3
72.15129	0.9
72.99316	3.4
75.00881	100.0
76.01231	1.7
100.98833	1.0
118.99863	2.9
135.04539	1.7
145.02939	1.1
146.03687	0.8
158.03792	1.2
159.04524	2.1
161.02504	4.4
169.06598	0.8
171.04565	1.2
172.05347	4.7
173.02458	1.0
174.03206	3.3
179.03511	0.9
183.04576	2.0
183.11786	0.9
184.05266	3.0
185.04649	0.7
185.06058	4.9
186.03232	2.8
186.06842	1.7
187.03987	6.9
189.01984	2.0
197.06133	4.5
197.09714	3.1
198.06888	11.0
199.07451	1.1
199.11258	1.8
202.02670	2.6
211.07764	1.7
212.08447	1.2
213.05473	0.9
213.09206	1.0
214.02718	4.1
215.03537	4.1
215.10808	4.2
227.10799	26.9
228.11104	2.7
231.10205	1.2
234.19080	0.8
241.05032	1.0
241.08809	1.1
243.10260	7.3
257.08206	1.9
271.09796	21.2
272.10132	2.2
301.10825	2.0
315.08734	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	358.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85615	10.2
59.01379	29.0
61.98834	100.0
71.19012	17.2
77.42379	10.6
83.27124	11.4
102.19969	12.0
127.22021	11.9
209.15547	24.0
226.66641	12.6
240.86319	12.5
243.16031	14.2
251.16498	26.3
295.15491	49.2
310.11908	14.1
322.52658	13.1
358.26633	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	358.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78996	0.9
59.01389	1.2
61.98835	100.0
70.33668	3.3
89.32010	0.9
91.71049	0.9
98.20530	1.2
163.77083	1.0
193.89784	0.8
251.20230	1.1
295.19196	5.2
296.19489	1.1
356.46344	1.3
358.17270	1.0
379.74475	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54856	0.4
59.01382	83.7
60.01718	0.8
61.71821	0.4
61.98833	3.5
62.60753	0.4
69.45870	1.3
69.46301	1.7
72.99331	2.4
88.45454	0.4
90.97131	0.4
96.64971	0.3
98.20573	0.6
100.83681	0.3
114.98895	1.0
118.96616	0.6
132.98149	1.7
135.77428	0.4
152.82677	0.4
156.90851	0.9
156.99933	1.2
157.03561	1.8
159.01479	2.0
161.98993	0.7
174.99255	22.1
175.99640	0.4
192.23032	0.4
201.02557	25.7
202.02722	2.7
204.00133	0.4
215.00572	0.5
217.00301	100.0
217.98288	2.1
218.00514	4.1
264.73810	0.4
273.01749	0.6
274.99512	1.1
299.01086	0.8
302.25607	0.4
317.00620	2.7
318.00784	0.8
353.92346	0.4
359.01630	7.6
360.01801	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	80.0
60.01723	1.0
61.98837	1.1
65.00329	0.4
70.26668	1.1
71.01395	0.7
72.00900	0.5
72.99309	9.0
73.02937	0.3
75.00884	1.0
78.95927	0.5
81.03499	0.3
83.01382	1.7
87.00918	0.3
90.97141	1.2
94.02982	0.4
97.02991	0.4
98.19935	0.3
107.01392	0.4
107.05042	1.0
108.02213	0.5
109.02962	9.8
110.03297	0.4
114.98895	0.6
117.00461	1.6
117.03431	0.4
118.96637	0.5
119.05036	0.7
121.02874	0.4
121.80383	0.4
123.00843	0.5
123.04525	3.5
124.01672	0.8
125.02445	6.3
131.47459	0.4
132.98215	1.9
134.03741	1.7
134.04697	0.8
135.04532	90.1
136.04857	4.1
137.02451	3.2
137.06084	0.4
138.01939	0.9
138.02974	0.4
151.00349	1.7
151.04031	0.7
152.01141	0.9
152.04774	0.4
153.01947	17.7
153.05585	4.6
154.02271	0.6
157.03545	2.3
159.01505	1.9
161.04616	0.4
174.99249	20.7
175.99638	0.3
179.03500	6.2
182.02115	0.4
183.01479	0.4
195.03073	0.4
197.04565	14.1
198.04787	0.7
201.02550	24.8
202.02682	2.5
217.00296	100.0
218.00632	4.0
232.98273	1.3
236.43637	0.4
237.09323	0.4
271.09760	0.4
274.99356	4.6
279.02856	0.4
297.09756	0.9
299.06259	0.9
314.98978	0.4
315.07248	0.8
315.10889	1.2
317.00299	0.8
330.18030	0.3
359.01785	4.8
359.06061	1.3
359.09576	9.9
360.01559	0.8
360.10034	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97775	0.4
59.01378	5.5
68.32857	0.5
70.12007	0.5
70.66673	0.5
70.92262	1.3
71.01391	2.4
73.02948	0.5
75.00896	1.2
85.02956	1.6
89.02468	0.7
95.89939	0.4
101.02453	1.2
108.08202	100.0
109.02947	0.6
109.08543	4.4
113.02455	2.3
120.08210	1.5
132.08192	2.0
134.06155	1.3
135.04515	2.7
135.71521	0.5
147.03256	0.9
148.07715	1.6
151.03992	0.8
152.07181	72.1
153.07535	3.6
164.07262	0.8
166.08745	17.6
167.09067	1.5
176.07155	1.4
185.06017	0.6
194.08226	7.8
196.06161	60.5
197.06499	4.0
198.06918	0.5
207.03056	1.3
224.82542	0.5
227.10751	1.4
227.92398	0.5
238.07211	8.6
239.07527	0.8
243.07797	1.0
271.09702	0.6
298.09399	5.5
315.18094	1.0
317.16077	1.3
358.11444	5.9
359.08716	1.9
359.16678	0.8
365.30402	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.2
57.03442	1.4
58.00610	0.5
59.01384	100.0
60.01723	1.2
71.01389	15.4
71.05029	0.3
71.61638	0.3
72.01733	0.4
72.99330	0.7
73.02955	5.2
75.00887	0.9
78.95901	0.4
83.01395	3.3
85.02960	8.4
86.03288	0.3
87.00926	0.5
89.02448	2.5
95.01417	1.0
97.02970	0.5
99.00897	2.1
101.01785	0.6
101.02451	11.7
113.02455	6.6
119.03514	0.9
121.03007	0.5
125.02460	0.6
129.01973	0.3
137.06133	0.3
143.03537	0.6
158.29187	0.3
159.03056	1.0
161.04556	4.1
162.04872	0.3
182.96298	0.3
194.99289	0.3
205.03551	0.4
241.12526	0.3
269.15634	0.4
313.27676	0.4
315.18268	1.2
355.24936	0.5
357.13693	0.6
357.17389	1.7
357.22787	0.6
357.26532	8.6
358.26947	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
66.32538	1.5
71.01373	7.9
73.02934	3.6
80.19587	1.3
85.02951	4.6
86.43234	1.2
89.02432	1.8
98.20646	3.3
98.89429	1.5
101.02453	5.9
113.02456	1.6
161.04576	3.0
163.15160	1.5
237.14888	2.3
238.15157	1.8
283.30475	1.4
357.18176	6.2
357.26273	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	358.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.3
59.01389	2.8
61.86298	0.3
65.99861	0.6
71.01389	0.8
75.00884	1.9
89.02470	0.3
90.67199	0.2
101.02472	0.4
104.50905	0.2
109.02975	0.3
119.05028	0.7
120.05402	0.4
123.00896	2.3
124.01672	7.3
134.03749	0.7
135.04272	0.4
137.24821	0.2
147.04520	0.7
148.04890	0.3
152.04805	0.3
153.00688	1.9
154.01474	100.0
155.01843	3.4
163.03963	0.6
164.04375	0.5
176.97562	0.3
177.01950	0.7
178.02354	0.9
193.04997	0.3
196.03825	0.8
224.12242	0.3
225.09276	0.5
228.04024	0.3
229.77203	0.4
270.08542	1.0
274.68448	0.3
287.09363	0.3
301.11057	0.3
314.11185	0.5
358.07651	7.9
359.08768	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00487	0.7
59.01383	100.0
60.01717	1.5
70.74351	2.3
71.01381	6.5
73.02977	1.6
75.00877	0.9
85.02965	2.6
89.02444	1.2
93.08541	0.6
95.01450	1.0
99.94187	0.7
101.02434	3.8
112.74115	0.7
113.02480	2.0
121.03001	0.9
139.80589	0.7
159.03044	0.9
161.04636	3.4
163.06770	0.8
165.31671	0.7
234.97664	0.8
239.58734	0.7
296.91727	0.8
315.18274	2.8
340.59576	0.9
357.17429	2.5
357.26501	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1343
Annotation	myrocin A
Peak:m/z	Relative Intensity
55.01871	1.3
55.17772	0.8
57.53680	1.0
59.01382	1.0
61.98832	21.2
65.00297	1.8
66.21071	0.9
67.01895	3.1
69.03449	1.7
70.53231	0.9
71.17179	1.5
72.27900	0.8
75.00861	0.9
79.05479	1.3
84.81066	0.9
88.36245	0.8
90.93844	0.8
92.52673	0.9
93.03465	5.2
95.05016	2.6
99.04478	1.3
107.05029	2.2
109.02972	1.0
109.06584	9.1
111.04539	5.0
117.07126	3.0
119.05015	3.9
121.02942	6.2
121.06598	2.4
123.04524	2.4
130.04236	1.4
131.05011	1.9
133.06607	5.0
135.04541	1.9
135.08168	100.0
136.08461	4.9
138.03273	2.0
141.07018	0.9
143.05011	1.5
145.06601	4.0
147.04561	1.1
147.08150	3.3
148.05309	2.2
149.06119	1.5
157.06580	4.0
159.04507	7.4
159.08148	4.1
160.05357	1.2
161.06145	1.8
171.04504	2.0
171.08157	1.8
173.06055	2.9
173.09747	5.0
174.06891	3.0
175.07616	14.4
176.04779	8.4
176.07976	1.2
177.05539	2.6
183.08118	8.2
184.08479	1.3
185.06151	5.0
186.06839	1.8
187.11223	1.5
189.12798	2.8
197.09703	2.7
199.07613	1.3
201.09213	19.8
202.09569	1.0
203.07132	21.9
204.07565	2.0
207.11964	1.0
209.09627	1.3
215.10751	3.1
217.08763	1.4
221.09795	1.4
223.11382	1.0
225.09219	2.0
235.11292	2.2
239.10818	2.5
247.13408	4.3
253.08684	2.1
253.12437	1.5
257.11798	9.2
258.12192	1.9
269.15485	2.0
279.10373	1.3
281.11816	29.6
282.12186	3.8
283.09811	4.1
295.13440	2.4
313.14456	56.5
314.14890	6.2
315.09042	1.5
315.12436	16.2
316.12769	2.3
325.10806	65.0
326.11136	9.6
343.11880	9.8
357.13446	99.6
358.13800	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	357.1194
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
55.01886	1.2
58.00589	1.9
59.01387	41.2
69.70324	0.9
71.01389	23.6
71.61446	1.4
72.99319	1.4
73.02962	5.2
75.00888	10.2
83.01389	2.5
84.08878	0.9
85.02963	5.4
87.00877	1.7
89.02455	18.2
93.03480	3.0
95.01425	1.5
101.02454	14.5
101.03079	1.4
108.02203	3.0
109.02959	9.4
113.02463	7.7
119.03515	7.7
119.05048	2.3
121.02962	1.9
123.04514	2.4
134.03761	3.3
135.04544	11.4
136.04018	10.8
138.05602	1.4
149.06175	1.2
150.03278	1.0
151.04016	3.2
153.00784	1.6
153.01950	8.6
153.05592	3.9
154.05125	3.3
159.04501	1.2
161.02483	2.1
161.04657	1.3
162.03238	61.5
163.03705	5.4
175.88577	1.0
177.05583	100.0
178.05994	5.5
179.03484	1.7
193.05147	1.5
195.06639	3.5
225.13947	1.0
227.07149	2.1
239.07213	2.2
246.11420	1.1
255.10358	5.0
269.08185	2.5
281.08255	3.3
313.10785	1.5
357.12006	3.6
373.91177	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
69.60008	0.7
69.95588	2.1
69.95997	1.6
96.05713	0.7
98.20347	1.7
105.75507	0.7
107.22836	0.7
121.02972	2.2
121.97488	0.8
143.57480	1.0
164.65623	0.8
221.72464	0.8
293.17609	1.7
357.06183	1.0
357.16873	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54463	2.4
59.01381	15.3
62.47767	2.5
71.01379	7.2
71.60962	3.0
72.99318	5.5
73.02927	3.2
75.00878	100.0
78.95910	4.5
81.03458	3.9
84.64262	2.5
85.02939	2.8
93.03467	13.6
94.81490	2.4
96.96014	23.5
99.00887	2.8
101.02450	4.1
108.02197	5.1
109.02962	61.5
110.03255	3.2
111.04505	4.6
117.03481	7.8
119.05042	18.1
121.02984	6.4
122.03753	6.0
123.04530	34.7
133.02953	7.7
133.06584	22.7
135.04547	36.9
137.02478	8.4
145.02998	20.1
145.06636	3.3
147.04550	10.3
149.02505	4.1
149.06108	6.9
150.03224	10.6
150.06827	6.4
151.04027	81.4
152.04419	5.0
153.01961	33.9
153.05574	12.9
159.04581	8.6
161.02417	9.4
161.06129	3.2
163.03987	8.7
165.01942	4.2
175.04027	8.7
177.01947	8.0
177.05556	9.4
179.03549	3.2
191.07167	6.3
193.05057	12.0
194.95868	4.1
195.03006	45.5
195.04855	4.6
195.06660	13.5
221.04594	8.6
222.05000	3.5
237.03935	6.6
239.07147	40.9
240.07545	5.5
255.10248	49.2
256.10651	6.3
269.08185	4.2
281.08170	20.4
282.08395	3.7
295.06207	3.5
295.09900	4.6
299.09335	5.4
357.09091	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	356.0988
Annotation	cyclo-Dopa 5-O-glucoside
Peak:m/z	Relative Intensity
59.01377	1.8
61.98841	0.6
69.65018	0.5
69.65424	1.9
71.01386	1.7
75.00873	1.0
84.90223	0.3
85.02959	1.1
89.02473	0.4
93.03481	0.4
94.03881	0.3
98.19875	0.7
101.02433	0.6
104.05094	0.5
106.06635	100.0
107.06967	4.0
109.02962	1.0
113.02468	1.8
118.06635	3.3
120.08235	0.9
131.03787	0.4
133.92201	0.4
146.06119	1.3
150.05617	82.1
151.05984	4.4
159.04486	0.4
161.04474	0.4
162.05551	0.4
164.07178	13.7
165.07613	0.8
192.06677	10.6
193.05034	0.3
193.06993	0.5
194.04591	12.3
195.04970	0.9
200.68489	0.4
236.05681	1.3
251.07155	0.6
256.19485	0.4
269.08035	0.4
280.07062	0.6
296.07809	1.4
299.09338	0.4
312.09775	0.8
356.09833	5.4
357.10172	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.38991	2.9
61.45357	2.3
61.98832	81.6
65.00330	2.5
66.35690	2.8
69.95612	9.0
76.22207	2.5
93.03456	4.0
107.77374	3.3
109.06591	7.7
111.04513	5.4
117.07139	3.1
121.02959	7.6
121.06582	4.4
133.06631	3.5
135.08168	94.1
145.06587	3.4
147.08134	3.3
157.06587	2.5
159.04541	7.8
159.08163	3.9
165.02875	2.5
171.04576	4.5
173.06194	3.2
173.09631	2.9
174.06886	3.1
175.07611	10.8
176.04774	6.2
183.08142	7.1
185.06038	4.2
186.06796	2.9
195.08330	2.6
197.09702	3.2
201.09198	21.6
203.07178	22.1
213.69414	2.6
247.13425	3.9
257.11893	8.6
262.50290	3.2
278.45581	3.1
281.11847	28.4
283.09772	3.1
295.13339	4.1
313.14456	70.2
315.12506	14.3
325.10815	80.3
343.11755	6.4
357.13443	100.0
357.17862	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	355.228
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
52.30688	1.1
55.57401	0.9
59.01365	1.5
61.98806	1.0
66.91727	1.1
70.98941	3.0
85.02983	2.0
99.92611	1.3
101.06120	1.4
107.05045	1.5
108.44313	0.9
109.02969	3.0
109.39647	1.1
122.03737	12.0
127.07591	1.1
135.03482	1.2
135.04526	24.4
136.01720	1.9
147.08148	2.9
149.09744	7.1
151.07646	3.1
154.02716	3.4
161.09740	9.3
163.04092	1.0
163.07664	2.9
163.11299	53.9
164.08438	13.6
164.11595	4.0
165.09215	9.5
166.09535	1.4
177.09218	65.6
178.10001	22.3
179.10780	72.5
180.11130	6.0
183.10262	1.8
187.11302	1.6
190.99403	0.9
191.10789	10.4
193.08728	9.8
216.03061	1.3
265.12195	1.2
280.14584	3.1
291.81824	1.1
298.15756	51.7
299.16098	7.0
318.57233	1.1
322.19336	1.4
337.21747	47.7
338.22064	7.4
340.20450	87.5
341.20792	12.1
355.19415	4.2
355.22812	100.0
356.23160	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	355.2856
Annotation	2-Monoolein
Peak:m/z	Relative Intensity
61.98840	2.5
71.16425	2.2
71.16754	2.0
77.80743	1.2
99.92576	1.6
114.95920	1.3
116.92819	1.5
293.28531	66.2
294.28833	8.6
337.27539	18.7
338.27847	2.6
355.28537	100.0
356.28809	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	356.099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	2.1
71.01382	1.3
75.00874	1.0
75.98911	0.2
80.05054	0.4
85.02947	0.6
89.02431	0.6
98.19875	0.9
101.02462	0.8
104.05064	0.4
106.06634	100.0
107.06288	0.4
107.06960	4.0
108.08208	6.3
108.08932	0.3
109.02946	0.7
109.08516	0.6
110.45509	0.3
113.02443	1.3
118.06640	1.0
119.05040	0.7
120.08190	0.6
130.06633	0.5
131.03764	1.4
136.07719	0.4
145.02934	0.7
146.06148	0.8
150.05617	53.5
151.05952	2.8
161.02458	0.3
162.05621	0.6
164.05835	0.7
164.07173	10.8
165.07535	0.8
174.05577	0.7
175.04041	0.3
186.55435	0.3
192.06686	6.7
193.05206	0.3
193.07091	0.3
194.04590	28.8
195.04942	1.7
197.59853	0.3
229.23396	0.3
236.05673	4.3
237.06030	0.4
266.06879	0.6
279.33957	0.3
296.07800	3.0
356.09879	6.7
357.10205	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23473	0.4
51.93644	0.4
57.03456	6.2
57.29406	0.4
59.01384	10.2
67.01896	0.8
70.22910	0.4
71.01349	0.5
71.05019	0.7
83.01385	4.2
83.05028	1.8
89.02467	0.6
91.04008	1.4
95.05012	0.6
101.74376	0.4
109.06584	0.6
109.88335	0.5
125.09710	1.0
135.41893	0.4
149.09737	0.6
151.11299	1.2
153.12874	36.8
154.13255	2.0
167.10814	0.6
173.56050	0.4
175.14899	0.7
177.12843	6.9
191.14400	0.5
193.16017	6.8
194.16267	0.6
195.13918	53.4
196.14278	3.2
197.11841	5.8
198.12141	0.5
209.15501	4.0
213.14960	14.5
214.15337	1.0
215.12862	1.4
219.13916	27.7
220.14232	3.2
237.14972	82.1
238.15335	7.6
263.12906	11.7
264.13211	1.0
269.17612	1.4
281.13950	34.0
282.14319	3.2
311.18655	4.9
312.18985	0.8
355.17633	100.0
356.17990	12.9
356.21344	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	6.7
57.04185	0.9
59.01385	11.9
67.82846	0.9
69.69933	4.7
73.25922	1.1
74.39413	0.8
83.01379	3.6
83.05022	1.8
89.02492	1.3
91.04010	1.1
151.11234	2.0
153.12862	38.8
154.13194	2.1
163.69594	0.9
167.10754	1.1
177.12895	5.6
193.15976	6.3
194.16460	1.1
195.13913	57.1
196.14267	3.8
197.11879	6.5
209.15422	4.8
213.14993	16.8
214.15317	1.7
215.12747	2.1
219.11894	1.9
219.13904	27.8
220.14230	2.2
237.14966	89.0
238.15297	8.6
263.12845	14.0
269.17627	2.0
281.13962	34.9
282.14282	3.5
311.18784	5.5
355.17636	100.0
355.24774	3.1
356.17963	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.7
69.39285	1.2
69.39696	0.4
71.01376	0.7
72.99300	0.3
73.02953	0.8
75.00878	2.7
83.01360	0.3
87.50833	0.2
93.03477	0.6
101.02464	0.7
104.78412	0.2
107.05021	0.8
108.02192	0.4
109.02958	3.9
111.00894	0.4
119.05061	0.3
121.02944	0.3
123.00894	0.8
123.04520	0.3
124.01659	0.6
127.14246	0.2
133.03033	0.3
135.04614	0.3
145.02950	0.4
147.04527	0.7
149.06087	0.6
150.03229	1.1
151.04015	100.0
152.04355	5.1
161.02444	0.3
163.04095	0.4
174.67191	0.2
175.04021	0.3
176.04585	0.2
185.02458	0.5
191.03505	1.8
193.05109	0.6
208.98868	0.2
209.04567	2.2
211.07613	0.3
234.32253	0.3
237.05647	0.2
237.12758	0.2
239.07175	0.4
242.66972	0.2
249.05592	0.4
251.07300	0.2
253.05138	0.2
253.08783	0.3
265.05093	0.3
265.92767	0.2
267.06561	0.4
277.05035	0.2
279.02618	0.2
279.03690	0.2
279.06635	1.6
281.04565	0.3
296.06857	0.2
332.66919	0.2
355.04263	0.3
355.05634	0.3
355.10486	5.1
356.10941	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1037
Annotation	Juglanoside E
Peak:m/z	Relative Intensity
51.59032	0.6
53.02399	0.6
55.37077	0.6
56.54793	0.7
57.76871	0.5
58.71498	0.6
59.01378	1.0
63.19698	0.6
69.61025	0.7
70.92554	1.3
70.92883	0.7
75.00867	1.0
80.29760	0.6
93.03434	0.6
101.68602	0.7
112.27139	0.7
121.02961	1.4
133.02960	1.6
134.03751	57.3
135.04044	3.5
137.02452	9.3
139.04045	2.4
149.04865	1.3
149.06091	22.3
150.06433	1.0
151.03986	3.0
178.02728	31.5
179.03055	2.1
193.05067	100.0
194.05412	7.0
261.67047	0.7
355.10330	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0825
Annotation	Sulindac
Peak:m/z	Relative Intensity
51.82761	1.2
59.01382	3.2
61.98838	1.8
71.01384	2.6
71.61464	2.2
74.06353	1.2
82.45856	1.1
85.02943	2.2
89.02444	1.3
90.26559	1.2
93.03474	1.6
101.02452	2.7
113.02426	1.6
119.05029	18.3
121.02963	97.2
122.03300	4.3
123.76729	1.1
125.29087	1.2
160.95245	1.2
163.04016	13.8
165.05591	3.6
168.11137	1.7
181.06604	3.5
202.70561	1.3
253.14336	1.9
311.09262	100.0
312.09518	12.0
312.12872	2.0
355.08240	52.3
355.15289	2.6
355.24615	3.1
356.08499	5.7
356.30463	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1036
Annotation	Gentiopicrin
Peak:m/z	Relative Intensity
51.68949	0.2
57.26029	0.2
59.01375	0.4
59.67628	0.2
65.50524	0.2
70.38557	0.8
71.01379	0.2
75.00877	4.1
77.22426	0.2
78.71914	0.3
85.07398	0.2
87.35902	0.3
93.03497	0.3
96.29666	0.2
106.06633	3.4
108.08202	0.3
109.02969	0.4
114.40228	0.2
118.09089	0.2
119.05054	0.4
121.06586	1.0
123.04567	0.4
134.03732	0.9
135.04504	0.4
147.04485	0.2
148.05296	0.7
149.06085	100.0
150.06519	6.0
151.04076	0.3
164.07161	0.9
175.04013	0.6
176.40442	0.2
192.06602	0.5
193.05049	0.6
194.04538	2.0
211.07683	0.3
236.05678	0.3
251.07086	0.4
296.07779	0.7
355.10434	6.4
355.14630	0.5
356.10657	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	57.9
71.61731	80.2
97.66430	49.8
148.60524	68.9
161.02431	60.4
237.18146	58.7
353.17838	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2123
Annotation	Guayulin B
Peak:m/z	Relative Intensity
64.21626	0.2
66.79301	0.2
71.16943	0.3
79.95766	1.1
96.96016	9.2
122.97576	0.3
130.86449	0.2
147.08165	0.5
161.02435	0.2
161.06073	0.3
163.11290	95.1
164.10223	0.3
164.11623	6.7
177.09210	72.6
178.09549	4.9
190.09875	0.2
194.05862	0.3
222.09009	0.8
226.75797	0.2
353.21173	100.0
354.21545	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	354.1111
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	11.7
59.17196	1.8
63.36647	1.7
69.27408	17.2
71.01391	18.2
72.99295	3.3
73.02952	9.6
75.00877	23.9
83.01376	2.7
85.02956	3.1
89.02443	2.5
91.27503	1.9
93.03471	38.8
101.02457	6.9
107.05036	4.9
109.02969	7.9
113.02450	2.7
117.03483	3.7
119.05035	69.2
120.05386	5.7
121.02949	6.1
130.04350	2.0
133.02946	2.1
134.03731	7.0
135.04558	5.8
145.02977	4.6
147.04532	30.7
148.04932	2.0
149.06087	3.8
150.06882	2.4
151.04008	56.0
159.04541	9.9
161.02396	9.8
161.06061	4.3
168.09752	2.0
171.72763	1.7
175.04008	100.0
176.04758	25.9
177.05586	27.6
178.02769	2.9
178.06009	3.0
187.03992	2.3
188.04819	5.1
191.07111	2.0
193.05081	7.1
197.06096	17.3
198.06575	2.5
201.05510	4.2
202.06146	2.0
210.06863	8.6
211.07626	6.7
213.05602	2.0
223.07660	32.0
224.08022	4.6
225.05707	2.2
225.09192	21.2
226.09474	3.3
227.07126	8.8
237.09177	2.2
239.07149	3.0
251.07109	6.0
253.08798	3.2
279.06625	5.0
279.10049	2.9
280.07300	3.7
281.04367	2.8
281.08124	2.6
282.08942	5.5
297.11319	33.1
298.11533	2.3
313.09277	5.6
336.10135	3.8
336.69165	2.2
354.07233	4.0
354.11023	17.2
355.10654	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	353.1972
Annotation	Cinnamodial 11alpha,12beta-dimethyl acetal
Peak:m/z	Relative Intensity
57.03454	1.6
59.01384	40.2
60.01699	0.4
71.01385	1.0
71.05019	0.7
71.62395	0.5
75.00868	0.4
81.03474	0.7
81.56422	0.3
83.05017	0.4
85.02951	0.5
85.06593	1.1
95.05018	0.4
96.96004	0.9
97.06590	1.2
98.47190	0.3
99.04517	0.6
101.02361	0.3
107.05055	0.4
111.08163	0.4
113.06093	4.2
115.07632	1.1
121.02985	0.4
121.57360	0.4
123.08176	1.7
125.06068	1.2
125.09720	1.9
126.06892	2.1
127.07693	0.4
128.00591	0.3
135.04480	0.3
139.11302	6.9
140.11594	0.4
142.42467	0.4
149.09666	0.7
151.11290	1.2
161.02441	2.1
167.10777	1.7
167.14394	2.8
168.14755	0.4
177.12845	2.0
185.11841	23.1
186.12193	1.5
205.15964	1.2
207.17526	2.8
231.17484	1.1
237.18604	0.4
247.17107	1.0
249.18602	7.3
250.18982	0.8
265.18094	2.8
273.18713	1.4
278.75140	0.3
291.19675	0.8
293.17596	18.2
294.17908	2.3
311.18649	100.0
312.18979	12.0
317.17615	0.5
335.18652	5.4
336.18982	0.7
353.06738	1.2
353.14059	0.5
353.15414	0.6
353.19684	3.8
353.23450	1.2
354.24033	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1972
Annotation	Hexamidine
Peak:m/z	Relative Intensity
57.03453	14.2
59.01384	9.7
69.03464	0.9
70.17794	1.7
70.18198	3.2
83.01403	1.4
89.42463	1.0
113.09695	1.7
127.11332	1.3
161.02449	2.5
205.16063	1.4
207.17561	6.4
208.17897	1.0
219.17464	2.6
221.19153	7.6
223.17102	2.1
223.20656	13.1
235.20708	1.3
239.20168	8.3
245.19138	1.6
247.20674	3.4
249.18565	1.9
263.20166	6.6
265.21713	32.0
266.22083	2.0
267.19696	7.6
268.19925	1.1
281.21219	2.0
285.20605	1.8
291.19711	1.7
307.19269	2.2
309.17221	2.0
309.20728	27.8
310.20999	2.5
335.18823	1.0
353.19696	100.0
354.19974	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	353.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27719	3.9
57.03456	9.5
59.01375	11.1
61.31184	4.3
69.26550	18.6
69.26983	26.8
75.00868	4.4
75.41457	4.3
161.02438	22.5
237.22313	6.0
245.87689	4.2
309.24417	28.7
353.06564	12.2
353.23325	100.0
354.23703	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	353.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	75.4
61.98779	51.4
63.25948	43.9
67.13741	48.7
70.63148	100.0
70.63526	98.9
102.17379	51.6
154.71513	56.5
161.02454	86.0
185.45737	53.0
191.05627	60.6
215.10121	52.9
278.57703	59.5
297.74423	55.3
353.18002	89.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29358	0.2
59.01372	0.7
65.60978	0.2
69.27410	0.2
69.50701	1.2
71.01395	0.2
75.00879	1.4
77.41531	0.2
86.81247	0.2
98.20612	0.4
108.02203	0.4
113.02495	0.2
114.12310	0.2
117.40272	0.2
119.05029	0.2
121.02937	0.4
122.03731	0.9
131.04970	0.3
134.03741	0.3
145.03033	0.2
147.04530	1.4
148.05307	2.1
149.06087	100.0
150.06421	5.8
161.02473	0.8
194.99890	0.2
195.08102	0.2
207.08258	0.4
209.06108	0.2
223.07677	0.4
227.03471	0.5
234.06824	0.2
235.07707	0.4
251.07114	2.2
252.07492	0.3
262.06424	0.2
263.07095	1.0
264.07864	0.3
267.52908	0.2
279.06625	1.8
280.06808	0.4
294.09042	0.8
295.06189	1.3
295.09048	0.2
307.06082	0.5
309.14825	0.3
322.08466	0.7
323.05707	2.2
323.09146	0.5
324.06223	0.2
337.07205	0.4
338.07993	2.5
353.10104	2.8
353.13535	0.4
353.19806	0.5
354.10651	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29358	0.2
59.01372	0.7
65.60978	0.2
69.27410	0.2
69.50701	1.2
71.01395	0.2
75.00879	1.4
77.41531	0.2
86.81247	0.2
98.20612	0.4
108.02203	0.4
113.02495	0.2
114.12310	0.2
117.40272	0.2
119.05029	0.2
121.02937	0.4
122.03731	0.9
131.04970	0.3
134.03741	0.3
145.03033	0.2
147.04530	1.4
148.05307	2.1
149.06087	100.0
150.06421	5.8
161.02473	0.8
194.99890	0.2
195.08102	0.2
207.08258	0.4
209.06108	0.2
223.07677	0.4
227.03471	0.5
234.06824	0.2
235.07707	0.4
251.07114	2.2
252.07492	0.3
262.06424	0.2
263.07095	1.0
264.07864	0.3
267.52908	0.2
279.06625	1.8
280.06808	0.4
294.09042	0.8
295.06189	1.3
295.09048	0.2
307.06082	0.5
309.14825	0.3
322.08466	0.7
323.05707	2.2
323.09146	0.5
324.06223	0.2
337.07205	0.4
338.07993	2.5
353.10104	2.8
353.13535	0.4
353.19806	0.5
354.10651	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.0
55.81409	0.9
57.03447	1.8
59.01389	27.1
65.08891	1.1
69.03452	1.7
71.01395	1.5
71.05028	6.1
71.61700	1.0
73.02958	1.6
75.00871	4.2
83.05029	1.4
85.02966	1.7
86.38616	1.0
87.04520	2.4
89.12651	0.9
96.96015	2.2
97.06612	5.4
99.04534	2.9
109.02981	1.9
113.02451	1.5
113.50376	1.0
119.05024	1.6
119.08672	2.5
122.03765	4.2
123.04536	2.5
125.02454	19.1
133.02992	1.6
135.04570	1.3
137.09734	3.9
151.11333	3.8
153.58063	1.0
158.02167	1.7
161.02475	6.8
163.07616	1.0
163.11339	1.3
175.11282	2.0
179.07123	2.4
187.14877	1.4
205.16023	4.2
217.05026	1.2
231.13919	1.5
249.14958	79.7
250.15315	6.8
265.14478	12.9
267.15903	2.4
275.12903	9.9
276.13266	1.6
293.13971	48.1
294.14160	5.2
311.15015	100.0
312.15311	9.5
344.87250	1.1
353.06714	3.8
353.16183	19.6
353.19531	1.6
353.23163	9.5
354.16245	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1033
Annotation	Viridiol
Peak:m/z	Relative Intensity
59.01372	2.2
61.92398	0.8
71.01383	2.3
71.21481	1.2
75.00864	6.0
78.25738	0.9
101.45240	0.9
114.49824	0.9
119.05004	1.8
121.02967	1.0
133.03014	1.6
134.03773	1.4
135.04495	2.3
135.47972	1.0
136.75018	1.0
137.02448	2.2
145.02965	3.3
147.04512	2.4
147.40222	0.9
148.05293	1.3
149.06085	32.0
150.06387	2.1
151.03883	0.9
161.02446	3.6
179.03436	1.0
180.05826	0.8
191.92918	1.0
193.05000	2.5
195.08192	5.2
200.52362	1.0
205.06491	1.5
206.07356	3.1
207.08147	11.0
209.05995	5.0
211.03979	1.3
219.08054	2.0
221.06055	1.6
222.06827	2.5
223.07660	12.1
224.04846	1.5
233.06073	5.9
234.06856	6.0
235.07578	14.5
236.08148	1.6
247.07710	0.9
249.05594	1.7
250.06331	4.5
251.07137	69.5
252.07480	7.1
253.05118	1.5
261.05478	4.6
262.06305	7.3
263.07111	26.0
264.07843	9.0
265.08533	2.9
266.09430	1.2
267.06726	2.5
276.07736	2.2
277.05469	1.0
277.08707	4.9
278.05829	3.6
278.09442	3.3
279.06647	68.9
280.06918	6.3
282.09042	3.3
293.08194	4.6
294.08969	22.1
295.06119	33.5
295.09192	1.8
296.06445	2.7
306.05002	1.5
307.06128	15.6
308.06778	4.4
309.07590	2.4
309.11252	2.3
309.14758	1.2
310.08441	8.3
321.07645	6.0
322.08459	24.9
323.05630	74.1
323.09048	8.4
324.06107	7.5
324.09485	1.3
337.07260	11.0
338.07947	82.3
339.08252	8.0
353.10291	100.0
354.10623	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	351.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14988	0.5
53.13253	0.4
59.01383	100.0
60.01719	1.1
71.01388	2.3
75.00900	1.2
83.01408	0.7
85.02974	1.2
88.26866	0.5
101.02461	1.9
124.48734	0.5
125.05998	0.5
148.05247	0.6
161.04608	1.8
175.92152	0.5
264.35593	0.5
275.09393	0.5
291.18057	3.1
292.18549	0.6
351.22061	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2177
Annotation	Sinuflexolide
Peak:m/z	Relative Intensity
51.12433	1.2
57.03446	3.6
59.01372	7.7
61.98811	1.4
75.60611	1.0
83.01401	6.4
91.66823	1.2
96.96032	7.2
98.20239	9.4
106.08611	1.1
168.10429	1.3
183.33083	1.5
199.42815	1.2
206.52998	1.2
213.09149	1.5
223.20651	17.3
224.21060	1.8
231.10297	2.1
237.18594	2.8
247.20535	2.7
249.18628	2.8
254.77661	1.2
263.23764	5.3
265.21729	44.6
266.22018	4.2
267.19595	2.2
279.23508	2.5
279.27335	1.1
283.22849	7.3
289.21790	3.5
293.20816	1.3
307.22797	66.2
308.23004	6.3
343.17792	1.2
351.18408	3.6
351.21768	100.0
352.22028	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	353.0669
Annotation	Aspertoxin
Peak:m/z	Relative Intensity
55.94794	0.3
59.01383	1.4
67.94944	0.3
71.01392	3.3
72.99318	0.6
75.00871	4.2
93.03452	1.3
96.96011	0.4
96.96960	0.4
105.03468	0.5
108.02161	0.4
109.02961	2.7
111.97131	0.3
117.03474	0.6
119.05023	0.9
121.02965	5.2
121.06671	0.4
123.04531	0.7
131.03522	0.4
131.05020	0.7
132.02197	1.2
133.02969	2.8
135.04535	3.2
145.02951	1.3
147.00873	1.4
147.04546	1.1
148.01677	3.4
149.02452	0.4
149.06058	0.3
151.04066	0.3
158.03711	0.4
159.04500	0.8
160.01633	3.3
161.02451	100.0
162.02777	5.3
163.04024	1.4
163.68628	0.3
165.87268	0.3
173.02455	0.7
174.02989	0.3
175.00374	2.4
175.03990	1.6
176.01147	6.4
177.01620	0.4
177.05544	0.8
180.00731	0.5
185.02451	0.7
189.05368	0.3
191.03508	3.3
192.04262	2.7
193.05118	1.6
197.06097	0.4
225.05670	0.6
237.05449	0.7
253.05051	0.4
259.08710	0.7
265.05099	0.6
266.05716	0.4
277.09921	0.7
279.02985	1.1
279.06610	0.4
281.04593	0.6
281.08240	0.4
295.06152	0.4
307.05872	0.4
309.07648	0.9
325.07181	0.8
353.06656	33.8
354.06964	4.4
354.10834	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1814
Annotation	2beta,5alpha-Diacetoxy-9(12)-capnellene-8beta,10alpha-diol
Peak:m/z	Relative Intensity
57.03450	12.2
59.01373	1.8
65.00323	0.9
75.00891	0.6
81.03468	12.2
82.03856	0.4
83.01385	4.2
98.19902	0.9
102.56407	0.4
116.64153	0.4
125.02457	100.0
126.02789	3.8
132.98631	0.4
146.50896	0.4
151.00349	0.4
181.15990	9.1
181.17575	0.6
182.16248	0.6
205.16035	0.9
221.19040	2.2
223.17044	22.0
224.17305	2.0
225.14958	4.9
237.18565	1.2
241.18094	1.6
243.16083	0.6
245.19138	2.0
246.19197	0.6
247.16956	1.8
263.17795	0.5
263.20154	2.3
265.18069	7.4
289.18100	3.8
307.19177	6.9
308.19635	0.8
333.20654	0.4
351.18127	47.4
352.18497	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	351.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35141	0.6
57.60659	0.7
59.01383	100.0
60.01747	1.0
67.33276	0.6
69.49699	4.3
71.01395	2.2
73.02969	1.0
75.00880	1.3
75.98907	0.5
80.04070	0.5
85.02982	1.2
93.80820	0.5
98.19724	0.7
101.02473	2.2
112.19390	0.6
113.02460	1.0
132.09091	0.5
133.02946	1.2
159.03046	0.8
161.04584	1.5
168.01419	0.6
185.49092	0.6
209.50038	0.5
291.18149	4.5
292.66492	0.6
307.19336	0.6
351.18051	0.9
351.21878	0.7
356.17975	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89561	0.3
59.01385	2.3
61.98835	7.1
70.85704	0.4
70.86040	0.5
71.01375	0.4
72.99317	3.6
75.00902	0.3
86.39896	0.2
109.02940	2.0
119.05054	0.3
135.04514	0.3
143.03647	0.3
144.04567	100.0
145.04915	6.2
164.98726	0.6
175.03925	0.4
191.00313	1.0
192.95799	0.3
205.98871	1.3
206.97473	2.9
206.99762	2.3
207.97581	1.3
208.97314	0.9
210.36255	0.3
222.99361	0.4
234.99271	1.5
238.98824	0.9
248.97169	0.9
277.00348	3.3
290.98474	0.4
291.01816	2.3
306.09903	0.6
350.14914	0.4
351.00198	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.049
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21906	2.1
57.28511	2.1
59.01384	36.4
60.89424	1.8
61.98831	5.9
62.67664	1.9
69.26105	21.7
71.01400	9.8
71.01734	2.2
72.99316	47.0
75.00890	9.8
76.57582	2.3
85.02966	3.9
87.00829	2.0
89.02453	4.7
93.03484	3.1
96.05418	2.0
98.19908	5.2
101.02477	4.7
108.02177	2.8
109.02962	70.9
110.03352	2.6
110.46319	1.9
113.02446	4.1
119.05093	2.3
121.03001	2.3
121.55332	1.9
129.05647	4.6
135.04491	1.9
144.04579	2.5
145.02995	1.7
146.01399	2.0
149.06076	4.6
153.01945	100.0
154.02303	5.4
160.72255	2.1
161.06064	2.1
164.98734	8.3
175.03947	5.8
179.97424	4.5
189.05554	4.9
191.00278	12.1
196.97702	4.7
203.97437	4.2
205.98940	14.2
206.99757	28.0
211.96411	2.8
216.98149	3.4
222.99272	5.0
230.99866	2.2
233.01292	9.1
234.99277	12.9
237.97975	4.0
238.98759	5.9
245.98480	2.6
248.97238	6.7
249.00780	4.2
249.98009	3.2
265.00070	2.2
277.00290	37.8
278.00665	3.1
290.98642	3.5
291.01874	25.3
291.10858	4.0
292.99884	3.3
315.07211	12.3
351.00174	12.2
351.13193	5.0
352.00333	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	351.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33511	0.8
57.46023	0.8
59.01383	100.0
60.01711	1.7
66.05244	0.7
69.47840	5.5
75.00877	20.6
89.63659	0.9
99.51058	0.8
108.02180	0.8
109.02958	5.7
117.01976	1.8
130.47736	0.8
133.02956	2.0
134.03746	4.9
135.04532	2.2
136.01686	8.1
137.02475	5.9
148.05309	2.5
148.35062	0.8
151.04021	2.7
177.02008	2.4
184.21364	0.7
195.02924	1.2
228.17064	0.9
229.08717	0.9
231.10248	1.0
257.08200	3.0
275.09192	1.0
293.04196	0.9
293.10278	1.7
360.83737	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.0
55.46966	0.4
57.03444	0.9
58.00586	1.0
59.01386	22.1
71.00996	0.7
71.01385	14.1
72.99299	1.3
73.02960	4.7
75.00879	12.7
83.01388	1.2
85.02966	4.4
87.00903	1.0
89.02456	7.4
90.02769	0.5
95.01400	1.2
97.06606	0.7
98.20636	1.0
99.00893	0.9
99.08183	2.7
101.02450	8.9
109.02975	0.7
113.02458	4.9
117.01965	1.0
119.03521	2.4
125.09776	0.7
127.07637	1.9
127.11320	1.2
129.09238	2.8
131.03667	0.6
143.10780	4.4
144.04547	2.1
146.06131	3.3
153.09282	1.2
161.02484	0.8
161.04562	0.5
161.55603	0.4
171.10291	10.3
172.04030	0.8
172.10593	0.8
174.03238	1.5
175.02716	0.6
176.03545	11.8
177.09196	0.9
187.04068	0.7
187.07666	1.9
189.11340	24.9
190.05057	3.1
190.11636	0.8
202.06482	0.8
203.07103	2.8
231.10272	1.9
232.06096	0.7
233.08179	0.9
245.08272	0.5
249.11238	0.7
257.08139	1.0
275.09344	3.4
333.15582	1.2
351.16605	100.0
352.06628	1.3
352.16910	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	349.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92345	1.7
52.67671	1.7
58.00578	3.8
59.01383	100.0
61.16038	1.8
64.14757	1.7
65.38324	1.8
69.61062	12.0
71.01388	58.8
72.99308	5.1
73.02944	2.2
75.00885	11.5
78.29811	2.0
82.35020	1.7
83.01398	4.0
85.02951	11.5
87.00886	4.0
89.02451	64.4
95.01382	4.5
97.06620	2.4
101.02444	38.1
102.02816	2.0
107.08669	27.3
108.09039	2.5
109.02952	2.6
113.02457	24.1
119.03522	29.9
125.02426	2.0
125.06072	2.2
133.02939	2.1
135.04526	2.8
143.03522	5.0
161.02496	10.1
161.04575	6.3
164.03558	2.0
169.08685	5.9
179.05615	8.1
187.09706	8.5
229.08725	2.9
273.07660	4.5
298.79865	1.8
307.32108	2.2
318.70819	2.2
331.09448	4.4
349.10843	3.1
349.15005	75.9
350.15393	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	349.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.9
56.60457	1.2
57.03445	4.8
58.00588	2.7
59.01384	59.6
63.53254	1.3
69.38847	2.6
69.39251	8.3
70.38115	1.3
71.01386	51.4
72.99313	3.2
73.02953	15.7
75.00867	5.1
80.05087	1.8
83.01396	8.2
85.02953	22.7
85.20874	1.2
86.10418	1.2
87.00887	4.1
89.02451	26.3
95.01373	6.5
99.00909	5.9
101.02451	40.9
103.94310	1.1
113.02452	20.0
119.03506	10.5
125.09726	3.1
132.04572	1.6
143.03496	1.2
150.05565	1.6
159.03021	3.1
160.04013	2.3
161.02412	1.2
161.04591	10.0
169.08717	3.3
178.05048	1.8
187.09827	2.1
187.13373	1.2
192.03001	2.5
194.04549	1.4
305.16074	3.7
331.09354	7.2
331.13449	1.8
349.10391	4.2
349.15018	100.0
350.15363	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	349.2022
Annotation	Thromboxane A3
Peak:m/z	Relative Intensity
53.21856	0.6
57.04440	0.7
59.01379	1.7
61.50204	0.6
63.99426	0.7
69.75663	3.7
83.05049	1.5
88.52908	0.8
95.37844	0.7
96.96008	1.2
108.02094	0.8
109.02961	1.8
119.05058	1.7
120.70183	0.9
135.04503	2.8
145.02917	1.6
151.40950	0.8
151.55931	0.7
163.03990	1.6
187.67796	0.8
191.03445	4.1
192.04181	1.0
213.12737	0.9
230.82545	0.7
242.13087	3.7
253.15945	3.4
269.15292	0.8
271.17014	20.2
272.17368	3.3
285.18542	0.9
287.20172	49.8
288.20541	6.8
305.21243	9.2
306.21515	1.2
331.18970	3.7
349.20197	100.0
350.20538	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	349.2021
Annotation	Pachyclavulariolide Q
Peak:m/z	Relative Intensity
55.94347	0.7
57.03453	16.2
59.01392	3.2
61.98844	0.8
65.00330	18.4
66.00657	0.8
71.31253	1.4
81.03465	2.4
83.01387	7.2
84.01775	0.6
110.44978	0.7
122.03727	0.9
123.04533	2.0
125.02454	100.0
126.02798	3.0
181.15996	2.0
205.01215	0.9
221.19081	2.6
239.20088	4.6
263.20135	1.9
282.86649	0.7
305.21246	10.9
306.21664	1.9
307.18915	1.0
312.29874	0.7
349.20200	33.7
350.20572	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
62.35926	1.3
70.08192	5.8
97.66137	1.3
98.20014	1.9
106.88425	1.2
119.05016	2.3
145.02943	2.1
153.19644	1.3
162.64069	1.3
215.16414	1.6
229.06175	2.6
277.43704	1.4
296.92215	1.4
306.34625	1.3
344.52023	1.6
349.20212	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	349.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31231	0.5
59.01381	100.0
60.86129	0.5
69.54271	4.3
98.19878	1.1
119.05038	1.4
123.08308	0.7
142.03929	0.5
229.06412	0.6
305.17673	0.7
349.16547	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01736	1.5
71.01384	6.6
71.61827	1.0
72.99329	0.8
73.02970	2.2
75.00881	8.9
83.01398	0.7
84.03224	0.6
85.02956	1.0
89.02473	2.8
96.96043	0.6
101.02431	4.4
108.34825	0.5
109.02964	1.0
113.02461	1.7
116.77661	0.6
119.03542	0.9
121.02980	0.7
123.04466	0.8
129.76369	0.6
135.04523	0.8
145.02940	0.8
150.10471	0.7
159.04613	0.9
161.02515	1.7
187.04034	1.2
207.03429	0.6
229.08742	1.6
245.08395	0.9
273.07803	1.9
305.10400	1.2
349.03717	0.9
349.15182	1.5
349.18790	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05280	0.4
59.01386	5.3
63.70024	0.4
65.44666	0.4
68.99462	0.4
69.41152	0.7
69.41552	2.9
71.01389	1.4
73.02962	0.7
73.44299	0.4
73.81972	0.4
75.00881	1.8
82.23466	0.4
84.60419	0.4
85.02968	0.7
87.04523	0.9
89.68772	0.4
95.05035	1.1
97.06617	2.5
101.02460	0.9
103.56512	0.4
109.02973	0.5
113.02454	1.5
121.06641	0.6
123.08171	11.9
125.09735	35.9
126.10064	1.8
133.49446	0.5
139.07664	1.1
143.10799	2.2
144.11203	0.4
152.03645	1.9
161.02423	0.4
169.08716	5.8
170.08954	0.5
187.09767	100.0
188.10120	5.6
201.11295	2.9
216.19185	0.4
229.10870	4.3
349.15286	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	2.8
60.83693	0.5
67.29411	0.5
69.41292	3.4
69.41699	1.5
72.00919	5.3
74.02486	1.4
82.03001	0.7
87.98591	0.7
93.03465	3.2
100.00417	19.1
116.05082	9.1
117.03478	10.5
117.05457	0.6
119.05038	100.0
120.05367	5.2
121.06582	0.8
128.05057	1.8
130.06619	8.2
132.05826	0.9
142.06636	23.6
143.06995	1.4
144.04568	1.0
145.02966	49.0
146.03307	3.3
146.06137	7.8
147.04527	4.5
148.04921	0.7
153.55367	0.6
154.06694	0.7
157.07713	17.3
158.08020	1.2
159.09308	9.2
162.05576	3.1
172.07816	0.6
174.05621	2.4
176.07188	4.7
181.07729	6.0
182.08141	0.6
185.07164	2.0
186.05609	14.6
187.05902	0.7
199.08778	2.6
203.08269	5.1
211.08780	1.0
220.06250	2.9
229.06192	53.9
230.06491	4.0
277.13428	1.0
287.11835	0.9
305.12967	10.6
306.13339	1.8
349.11957	12.5
350.12234	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	349.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.8
65.91287	0.3
68.15822	0.3
69.53250	1.9
72.00915	8.8
74.02482	1.9
74.66357	0.3
79.80981	0.3
82.02992	0.4
82.79534	0.3
93.02951	0.4
93.03451	1.8
100.00413	21.8
101.00739	0.4
103.11652	0.3
116.05067	10.0
117.02618	0.7
117.03471	15.0
117.05398	0.5
118.03807	0.5
119.05034	100.0
120.05379	4.5
127.34926	0.3
128.05112	0.6
130.06628	4.6
133.77121	0.4
142.06636	30.8
143.07036	1.9
145.02965	59.1
146.03317	3.0
146.06165	1.3
147.04506	1.5
157.07724	4.1
158.06091	0.6
159.09273	3.3
160.19963	0.3
162.05644	0.7
174.05663	0.7
176.07172	1.3
181.07787	1.5
185.07225	2.9
186.05618	19.3
187.05945	1.5
190.83578	0.3
198.24498	0.3
199.08749	0.5
203.08278	7.9
204.08548	0.8
204.65155	0.3
220.06184	1.1
225.98740	0.3
229.06178	53.2
230.06508	4.5
305.13010	3.6
306.13120	0.3
349.11871	7.1
350.12198	0.6
367.14795	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1044
Annotation	Cystothiazole E
Peak:m/z	Relative Intensity
50.04361	1.3
54.86237	1.3
55.01894	1.8
57.03445	1.6
59.01382	25.8
65.99848	2.6
68.72305	1.7
69.46896	5.2
69.47321	6.2
71.01385	16.7
72.99287	1.7
73.02928	5.3
75.00893	7.0
82.02990	17.8
83.01394	4.0
83.05040	1.2
85.02964	8.1
89.02439	9.8
98.20551	2.6
99.00893	2.2
101.02452	15.1
106.02999	4.9
113.02450	8.0
119.03510	3.9
121.02950	1.6
121.03986	1.5
122.03777	2.4
122.06108	3.8
136.04025	2.9
138.05623	12.3
146.09807	2.0
148.07617	1.8
149.03584	2.9
149.04784	2.7
150.05679	1.8
160.04105	7.9
161.02367	3.8
161.04599	3.2
163.05132	4.5
164.03537	29.0
165.03889	1.7
169.08727	2.0
174.05565	3.8
176.10825	3.6
177.06609	2.2
188.88567	1.4
190.08745	28.4
191.04631	21.3
191.08328	4.1
202.08728	5.9
204.02985	1.7
204.05383	2.6
205.06146	2.0
217.06213	12.2
218.06578	1.6
218.11856	37.1
219.07950	1.5
219.11742	3.0
228.06743	1.8
229.06114	2.4
231.07770	5.6
232.08354	1.3
233.09317	83.7
234.09706	8.4
244.04909	14.5
244.09776	9.4
245.09351	18.5
258.06375	4.2
259.07251	33.6
260.07468	3.6
261.12512	16.1
262.12888	1.6
263.10501	2.4
271.07242	26.0
272.07657	3.4
273.07739	3.0
277.08231	5.8
287.10370	56.7
288.10675	4.6
305.11526	14.4
309.16461	1.4
313.08487	1.6
319.13754	1.5
326.69174	1.6
331.05414	3.2
331.09357	58.2
332.09622	6.8
349.10367	100.0
349.14957	38.0
350.10645	9.4
350.15222	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	349.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.29170	0.9
72.00914	6.5
79.43752	1.0
93.03458	1.2
98.19879	3.5
100.00412	24.2
116.05080	8.3
117.03475	13.8
119.05034	100.0
120.05369	4.2
130.06612	6.3
142.06621	32.2
143.06940	1.8
145.02957	62.5
146.03278	2.7
157.07678	3.6
159.09241	3.1
163.59299	1.0
165.50694	1.2
176.07181	1.5
181.07654	2.0
185.07222	2.5
186.05615	17.8
187.05927	1.6
203.08287	7.2
220.06117	1.8
229.06177	59.9
230.06416	5.5
305.12958	4.1
349.12030	7.1
350.12451	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0906
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24471	3.5
59.01379	20.7
70.32363	13.1
71.01394	21.7
71.01715	3.4
76.65433	3.3
89.02449	28.6
95.76478	3.9
101.02429	21.3
108.47915	3.9
108.92238	3.6
113.02444	9.4
119.03495	10.8
131.03488	4.6
143.01242	4.1
149.04533	10.1
151.06145	8.8
152.93605	4.8
161.04538	3.9
173.04520	8.4
179.05585	11.5
181.62585	3.8
229.03346	3.4
233.10719	3.6
266.96793	5.4
291.80591	3.6
313.11429	100.0
314.11826	6.2
349.09119	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04361	1.3
54.86237	1.3
55.01894	1.8
57.03445	1.6
59.01382	25.8
65.99848	2.6
68.72305	1.7
69.46896	5.2
69.47321	6.2
71.01385	16.7
72.99287	1.7
73.02928	5.3
75.00893	7.0
82.02990	17.8
83.01394	4.0
83.05040	1.2
85.02964	8.1
89.02439	9.8
98.20551	2.6
99.00893	2.2
101.02452	15.1
106.02999	4.9
113.02450	8.0
119.03510	3.9
121.02950	1.6
121.03986	1.5
122.03777	2.4
122.06108	3.8
136.04025	2.9
138.05623	12.3
146.09807	2.0
148.07617	1.8
149.03584	2.9
149.04784	2.7
150.05679	1.8
160.04105	7.9
161.02367	3.8
161.04599	3.2
163.05132	4.5
164.03537	29.0
165.03889	1.7
169.08727	2.0
174.05565	3.8
176.10825	3.6
177.06609	2.2
188.88567	1.4
190.08745	28.4
191.04631	21.3
191.08328	4.1
202.08728	5.9
204.02985	1.7
204.05383	2.6
205.06146	2.0
217.06213	12.2
218.06578	1.6
218.11856	37.1
219.07950	1.5
219.11742	3.0
228.06743	1.8
229.06114	2.4
231.07770	5.6
232.08354	1.3
233.09317	83.7
234.09706	8.4
244.04909	14.5
244.09776	9.4
245.09351	18.5
258.06375	4.2
259.07251	33.6
260.07468	3.6
261.12512	16.1
262.12888	1.6
263.10501	2.4
271.07242	26.0
272.07657	3.4
273.07739	3.0
277.08231	5.8
287.10370	56.7
288.10675	4.6
305.11526	14.4
309.16461	1.4
313.08487	1.6
319.13754	1.5
326.69174	1.6
331.05414	3.2
331.09357	58.2
332.09622	6.8
349.10367	100.0
349.14957	38.0
350.10645	9.4
350.15222	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	348.9862
Annotation	Unknow
Peak:m/z	Relative Intensity
60.66552	0.5
61.47474	0.5
61.98833	100.0
63.99282	0.8
71.08739	1.3
71.09100	0.6
98.20544	0.6
113.38296	0.6
162.98538	1.7
172.77164	0.5
204.00079	1.6
205.00212	4.5
205.99744	5.7
206.97450	57.5
207.97545	4.6
259.80231	0.6
276.86938	1.2
277.36725	2.8
277.86624	7.7
278.36633	3.6
278.86542	1.0
308.83908	0.7
317.34659	2.5
317.84460	4.3
318.34595	2.5
348.31836	3.6
348.81726	13.0
349.31699	4.9
349.81702	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	348.9866
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06647	0.3
59.01385	6.6
61.98835	100.0
62.01355	0.4
62.98529	0.4
63.99261	0.9
67.91393	0.3
71.01398	2.0
71.48018	0.4
72.99313	13.9
73.99662	0.4
75.00885	2.6
84.27544	0.3
85.02972	0.4
87.00901	0.4
89.02461	1.2
101.02445	0.7
105.28134	0.4
107.05070	0.4
109.02987	0.9
111.22924	0.4
113.02471	0.4
114.98872	0.5
119.05049	1.3
121.02981	0.4
133.02942	0.6
135.04530	1.2
144.04565	30.6
145.02946	0.9
146.72256	0.4
147.04539	0.6
149.00990	0.4
149.02467	0.4
149.06100	2.5
150.74940	0.4
158.40199	0.4
159.03258	0.4
159.04474	0.6
161.02481	0.9
162.98462	1.0
163.03989	1.1
164.98732	0.6
175.02480	1.4
175.03975	0.8
179.05560	0.6
183.65361	0.4
189.30396	0.4
191.00122	0.3
196.97653	0.4
201.00468	0.4
203.02023	0.3
204.00020	1.4
205.00197	2.6
205.99802	4.0
206.97459	63.1
207.97585	5.5
219.01526	0.8
226.98744	0.5
232.97443	0.4
233.01274	0.5
247.02989	0.4
249.00912	0.5
265.00320	0.6
265.04004	0.5
313.09290	0.7
320.99377	0.5
321.03036	5.1
348.98856	0.6
349.02795	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.4
71.61928	0.6
75.00864	0.8
105.48526	0.6
118.62418	0.6
119.98118	0.6
136.05310	0.8
193.16057	5.9
209.15492	2.0
211.17038	23.5
212.17328	1.9
227.16542	33.2
228.16898	2.3
237.15051	0.9
241.16034	7.4
246.15604	0.9
255.15916	4.1
257.19147	6.9
258.19324	0.8
259.20758	1.4
270.00726	0.7
273.17096	100.0
274.17438	7.5
301.18237	0.9
303.19678	23.2
304.19989	2.6
347.18353	54.4
348.14984	1.2
348.18738	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	347.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49995	7.6
59.01375	100.0
61.77832	6.3
61.98840	8.9
66.81396	6.6
68.13046	6.0
69.16837	6.7
70.63503	15.2
70.63869	14.6
71.60718	6.9
89.79007	7.2
99.92612	15.4
113.75262	7.4
116.92843	8.6
117.63206	6.8
119.04959	6.8
176.71509	7.0
177.05666	8.8
188.62747	7.8
196.76271	7.1
201.02988	7.0
244.38785	8.1
347.95801	11.8
350.30896	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	348.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
65.23792	1.7
66.23823	1.5
71.61417	1.4
81.42888	2.0
88.75188	1.6
93.03490	1.6
109.03061	1.7
135.04536	3.5
137.98676	1.6
157.55812	1.5
163.04111	2.2
165.05493	1.9
171.40413	1.5
191.03526	3.5
201.50943	1.8
300.84726	1.7
349.16797	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15456	0.6
55.01886	1.6
56.34855	0.7
57.03445	1.7
58.00599	1.2
59.01384	36.7
69.46916	5.6
69.75199	1.0
71.01389	22.2
71.53255	0.7
72.01709	0.9
72.99302	2.5
73.02956	3.5
75.00878	7.9
83.01412	3.3
85.02960	7.5
86.00112	0.9
87.00849	0.8
88.31850	0.7
89.02449	9.9
95.01410	1.9
99.00892	1.2
101.02450	16.6
109.54822	0.7
111.38720	0.9
113.02450	9.6
118.78011	0.7
119.03497	4.1
135.04517	0.8
161.04413	0.8
167.10779	4.5
185.11806	3.3
187.80330	0.7
213.59038	0.8
215.07188	0.9
226.58427	0.8
243.06538	0.8
287.18665	0.9
305.19760	2.3
307.13791	0.7
321.70880	0.8
329.15973	1.4
347.17099	100.0
348.17459	11.9
350.21674	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1865
Annotation	Neocaesalpin H
Peak:m/z	Relative Intensity
53.83019	0.5
55.35183	0.5
58.00434	0.5
59.01205	1.1
59.01529	2.1
59.45487	0.6
65.57945	0.6
68.82129	0.6
72.99406	0.6
75.00987	1.0
84.18301	0.6
91.04138	0.9
121.06713	0.7
193.15985	4.9
209.15599	1.9
211.17026	23.9
212.17484	2.1
215.14076	0.6
227.16522	31.0
228.16907	2.5
241.15971	14.0
242.16336	1.9
246.15446	0.6
255.15909	3.1
257.19080	12.0
258.19406	1.6
259.20749	1.7
273.17072	93.2
274.17368	8.5
301.18027	2.5
303.19638	44.9
304.19876	4.0
304.22958	0.6
347.18442	100.0
348.18817	13.4
357.77811	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15647	0.6
55.29783	0.6
59.01390	3.3
59.93652	0.8
68.59057	0.7
69.49191	1.4
69.49603	3.7
75.00859	1.0
87.04517	0.8
87.38665	0.5
89.02499	0.7
91.04038	0.7
94.54039	0.6
109.02903	0.6
118.93021	0.6
136.05208	0.6
191.00462	0.7
193.15929	5.6
209.15434	1.4
211.17026	23.5
212.17360	2.4
227.16536	30.3
228.16827	2.7
241.15944	6.9
246.15396	1.1
255.16032	3.6
257.19055	4.4
259.20703	1.5
273.17087	100.0
274.17435	9.7
303.16208	0.9
303.19650	14.2
304.19904	1.7
347.18179	35.0
348.18579	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	347.1711
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
54.08955	0.4
55.01886	2.1
55.11993	0.4
55.14262	0.5
57.03442	1.9
58.00589	1.3
59.01383	20.7
69.03461	0.5
69.29575	0.5
71.01389	17.0
72.99311	1.6
73.02947	4.0
75.00870	3.0
83.01369	3.9
85.02961	7.8
86.00063	0.6
87.00896	1.2
89.02453	4.9
95.01398	1.8
97.02966	1.0
99.00893	1.8
101.02452	11.9
111.00854	0.7
113.02460	4.7
119.03509	1.8
119.05097	0.5
141.09184	1.0
152.83966	0.4
153.20235	0.4
161.02457	0.4
161.04620	0.8
167.10754	2.1
185.11827	12.8
186.12177	0.7
329.16049	2.1
347.17108	100.0
348.17459	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	347.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.4
55.60741	0.7
57.03459	1.3
59.01096	1.3
59.01385	26.5
59.87873	0.7
61.77919	0.7
71.01389	22.1
72.99315	1.7
73.02968	4.4
75.00873	3.1
83.01403	3.6
85.02948	6.1
89.02455	7.5
95.01369	1.7
99.00892	1.7
101.02450	11.4
113.02487	4.7
119.03526	1.8
141.09235	1.2
167.10788	3.2
167.12396	0.6
185.11841	8.0
270.26868	0.8
329.16058	3.2
333.20093	0.9
347.17123	100.0
347.24200	2.6
348.17480	11.7
363.63544	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76809	1.1
54.31160	1.1
54.75232	1.3
59.01380	2.1
75.78840	1.3
77.01866	1.4
83.29575	1.1
84.18648	1.3
88.75376	1.4
127.98441	1.2
129.34834	1.1
131.32669	1.2
152.39075	1.3
209.19109	72.7
210.19466	6.0
227.20287	1.4
253.18098	70.7
254.18542	5.8
271.19153	100.0
272.19550	9.4
292.38892	1.2
345.22894	45.7
346.23117	4.5
359.65378	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76151	0.2
53.63217	0.2
57.62606	0.2
59.01384	6.1
60.01724	0.5
61.93844	0.2
61.98836	100.0
62.98544	0.2
70.04124	0.8
129.55649	0.2
131.11841	0.2
144.13351	0.2
154.64717	0.2
201.02556	1.1
202.02731	2.0
203.02286	3.0
204.00012	45.9
205.00137	4.3
346.01007	0.9
346.46274	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01524	0.3
51.31467	0.3
56.75757	0.3
59.01379	6.5
60.01710	0.7
60.36460	0.3
61.98831	100.0
69.57730	1.7
71.01396	0.4
72.99311	13.6
75.00884	0.7
78.95909	0.6
93.03484	0.3
98.20594	0.6
101.02464	0.4
117.00464	0.7
119.05033	1.5
121.02967	0.3
122.95069	0.3
126.41827	0.3
130.94521	0.3
135.04500	0.4
139.03947	0.5
140.04300	0.6
159.04558	0.4
163.04068	0.8
166.05061	0.3
175.03979	0.7
178.32692	0.3
184.03275	0.3
201.02499	0.7
202.02734	2.1
203.02214	3.4
203.99992	47.0
205.00153	4.2
211.00201	0.4
245.03065	0.7
263.04037	1.1
287.06357	0.5
319.03110	7.5
346.01163	0.6
347.01419	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0257
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	30.8
59.01378	18.2
61.98820	23.3
67.01881	11.5
70.65128	15.8
70.65479	10.9
71.01383	100.0
72.99313	72.7
73.02948	24.8
73.64286	7.4
83.01402	38.7
85.02937	30.2
87.00856	14.3
99.00894	53.7
111.00899	62.6
112.98806	32.0
117.00480	8.2
119.05028	9.8
121.12132	7.8
124.98776	10.2
129.01947	82.0
129.05595	8.4
142.99873	56.7
145.01457	8.7
173.00928	44.7
248.85368	8.2
254.99983	16.7
287.06253	16.3
319.03134	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	7.2
59.01379	8.0
62.08419	5.2
71.01379	58.0
71.17068	11.3
72.99306	58.3
73.02951	20.1
75.00883	8.4
83.01394	13.4
85.02964	6.8
93.03455	13.5
98.17503	4.9
99.00867	28.7
99.14471	5.6
101.02437	9.0
111.00893	30.3
111.04515	12.7
112.98822	34.2
124.98795	8.2
129.01930	39.6
129.05579	45.6
132.99246	5.4
142.99889	100.0
155.03482	12.9
163.04057	5.8
173.00919	44.0
173.04495	29.5
181.01888	5.6
206.53818	5.2
213.94667	6.3
251.03517	5.0
252.96992	5.0
319.03189	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1501
Annotation	Eremantholide A
Peak:m/z	Relative Intensity
57.03188	0.5
57.03449	6.5
59.01384	2.4
61.36271	0.4
63.10483	0.5
65.00314	1.1
66.10768	0.4
66.63415	0.4
71.41633	0.7
71.41969	0.6
75.00853	0.5
76.85292	0.5
79.05564	1.0
81.03462	3.9
82.30344	0.4
83.01395	6.5
83.05030	1.3
85.06579	0.7
94.81386	0.5
95.05038	1.1
97.06564	1.3
106.04228	0.7
109.06561	0.5
111.08205	0.8
116.48396	0.4
121.06591	1.8
122.03731	0.6
123.04546	5.0
123.08163	0.7
125.02459	8.3
125.09726	0.9
131.86508	0.4
133.06595	2.5
135.04523	1.9
135.08206	1.0
145.06612	0.5
149.02438	0.5
149.09677	0.5
151.11250	0.6
153.12868	10.0
175.11252	0.5
175.14909	1.6
177.12863	16.4
178.13214	1.8
189.12912	0.6
193.15974	7.2
195.13890	1.1
201.12994	0.6
207.10329	0.6
211.17055	1.9
217.15973	29.7
218.16327	3.5
219.13914	11.1
220.14229	1.0
231.17603	3.8
235.17046	4.9
237.14919	1.8
243.13864	0.7
259.17023	21.9
260.17468	2.1
261.14951	14.8
262.15231	1.3
263.12833	3.4
264.13223	0.5
279.16003	7.3
280.16251	0.7
285.15063	0.6
303.16025	45.0
304.16364	5.0
305.13977	6.6
306.14221	0.7
347.15002	100.0
348.15363	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	345.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00417	1.2
53.95804	1.2
59.01386	16.2
61.21534	1.1
71.61863	1.4
73.40381	1.2
81.53279	1.1
85.58698	1.3
94.45099	1.2
119.05113	1.2
156.77341	1.3
193.16023	2.2
195.17549	73.2
196.17886	5.7
205.15950	26.5
205.17870	1.5
206.16267	2.2
211.17004	13.6
212.17395	2.0
223.17043	28.3
224.17438	2.5
239.16563	2.7
241.18102	29.7
242.18486	2.3
257.17590	12.9
258.17734	1.9
267.16025	21.6
268.16559	1.4
285.17099	100.0
286.17361	10.1
303.18192	43.6
303.21796	3.3
304.18494	4.1
345.19183	44.8
345.26105	1.8
346.19562	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	345.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39874	0.5
57.03416	0.8
59.01385	5.5
61.00695	0.5
66.72488	0.6
70.13628	1.1
75.60982	0.5
77.34046	0.5
86.01349	0.5
89.02430	0.9
91.03997	1.3
91.10022	0.6
113.57712	0.7
115.54922	0.6
125.69626	0.5
129.88644	0.6
168.18262	0.6
207.17693	1.0
209.19106	67.3
210.19470	5.8
227.20160	1.5
253.18083	69.1
254.18446	6.9
271.19141	100.0
272.19482	9.7
345.22821	35.8
345.27097	1.4
346.23108	4.1
368.74829	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	13.6
61.12344	0.7
69.35906	5.5
71.01392	7.0
71.43951	0.7
72.99320	1.5
73.02999	0.8
73.28513	0.6
75.00875	9.2
85.02966	1.8
88.27744	0.7
89.02443	7.6
95.03771	2.6
96.08199	1.4
101.02464	4.6
104.05083	1.4
106.06651	5.4
111.04587	0.8
113.02448	3.3
119.03524	2.9
119.05067	1.0
121.10220	1.8
122.06143	2.8
123.03266	1.2
124.07692	6.7
132.04562	41.0
133.05367	23.9
134.06120	5.5
135.04506	1.2
138.05502	0.8
146.06145	1.7
148.04044	1.8
150.05617	1.6
150.25647	0.8
165.04317	26.7
165.09196	4.3
165.10455	0.8
166.04643	1.7
174.05646	1.1
176.03571	1.6
177.04323	5.0
178.05011	2.3
179.03485	0.9
179.05499	0.8
186.07802	0.8
186.09248	3.9
188.07095	1.1
197.02031	0.8
198.09369	1.1
209.03282	5.9
212.40849	0.8
213.06718	3.4
214.12373	7.6
215.11871	7.8
216.10300	3.0
226.07341	1.3
229.09863	3.2
240.10370	1.7
241.09846	4.1
242.08212	0.9
244.13245	0.9
253.18051	0.7
255.11465	1.0
257.12943	24.5
258.13229	2.6
279.02875	1.0
283.10919	8.2
284.11331	1.2
301.11954	20.1
302.10193	2.3
324.27155	0.9
327.09879	1.8
345.06232	3.3
345.10941	100.0
346.11267	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	345.1556
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
55.01883	4.9
57.03446	3.5
58.00585	4.7
59.01385	95.7
59.38380	1.4
60.01725	1.4
69.57552	8.4
70.89186	1.2
71.01387	73.0
72.99314	4.2
73.02943	11.2
75.00874	20.6
83.00977	1.1
83.01392	8.3
85.02963	24.5
87.00861	2.5
89.02452	43.6
95.01398	4.7
99.00883	5.9
101.02451	53.3
102.02790	1.9
113.02474	26.7
119.03513	21.0
119.05002	3.4
121.10258	7.1
130.29524	1.2
131.03531	2.1
135.04553	1.3
143.03523	2.2
145.03024	1.2
149.04604	2.5
154.71483	1.0
159.03000	1.9
161.04579	8.8
163.04018	1.8
165.09204	12.5
179.05586	2.8
183.10277	2.5
228.10358	1.6
244.13425	5.4
288.12479	4.0
303.18100	2.8
345.15549	100.0
346.15863	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	344.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86262	6.2
51.98820	5.5
56.58294	5.9
59.01385	72.8
60.01719	8.3
61.01811	9.1
61.98833	100.0
71.01385	19.0
71.61678	7.3
75.00882	23.1
89.02424	7.8
98.10141	5.3
101.02434	14.7
119.05045	32.8
120.05383	23.3
180.06450	6.5
345.15445	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90763	1.0
61.98831	100.0
67.52403	0.9
89.04778	1.0
166.13220	1.0
279.11807	0.9
281.17697	4.8
344.28818	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	345.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	9.4
67.79570	0.7
68.99842	0.9
71.01382	4.8
71.16621	1.9
71.52794	0.7
73.92113	0.7
75.00887	6.8
84.04558	1.5
85.02954	2.0
89.02425	3.8
92.23780	0.7
94.06628	0.8
95.03749	1.7
96.08228	0.8
101.02443	2.8
104.05037	1.3
106.06636	4.5
113.02457	2.5
119.03501	2.0
119.05013	1.4
121.10172	0.8
122.06130	3.1
123.06881	0.8
124.07683	8.0
129.05621	0.8
132.04556	44.2
133.05359	22.2
134.06165	6.3
135.04539	1.5
146.06139	1.0
148.04045	1.9
150.05623	1.9
161.02373	1.0
162.05614	0.8
165.04330	28.6
165.09175	2.0
176.03537	1.2
176.07141	1.4
177.04332	5.4
178.05092	1.8
179.03584	0.8
180.42786	0.8
185.08405	1.0
185.47762	0.9
186.09253	4.8
196.11563	0.8
197.01985	1.1
198.09261	1.4
209.03325	6.5
213.06720	5.3
214.12398	6.4
215.11853	7.9
216.10240	1.6
226.07483	1.3
227.08229	1.0
229.09814	4.6
239.11986	0.9
239.83464	0.8
240.10271	2.4
241.09851	3.5
244.13394	1.6
255.11397	1.4
257.12979	25.7
258.13257	2.9
283.10861	9.5
284.11383	1.0
288.12454	1.3
297.44199	0.7
301.11935	21.9
302.10046	1.1
302.12613	1.0
327.09921	2.8
340.55191	0.7
345.06088	4.4
345.10919	100.0
346.11288	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	343.0374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12847	0.4
55.70312	0.4
59.01384	85.9
60.01727	0.6
61.98830	0.9
69.87717	1.7
71.01396	2.4
72.99326	0.8
75.00881	1.6
79.45507	0.4
89.02455	1.8
90.38766	0.4
101.02441	1.3
109.02972	0.8
113.02470	0.7
114.36353	0.4
115.02567	0.6
117.00469	0.5
119.03500	0.4
119.05032	4.4
120.04609	0.7
121.02992	2.5
121.03768	0.4
122.31915	0.5
123.00865	0.8
135.04529	2.1
136.04889	0.8
137.02461	0.6
137.05035	0.7
138.03223	0.6
138.05650	1.2
139.04031	6.6
148.70753	0.4
157.03572	6.2
159.01503	2.9
161.02432	0.5
163.04022	0.7
164.03560	2.2
179.03529	1.0
180.03909	0.5
181.03802	0.7
181.05151	1.4
199.01045	0.6
201.02560	100.0
202.02719	9.5
221.09669	0.8
242.44781	0.4
255.10371	0.5
259.01559	1.2
300.10968	0.5
343.03754	2.2
343.09930	0.7
343.13086	1.2
344.09726	2.6
348.66116	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00323	0.6
53.46542	0.5
55.20860	0.6
56.03294	0.5
59.01380	3.8
66.06927	0.6
70.92039	1.3
71.01376	2.8
72.47736	0.5
75.00879	3.1
76.01202	1.1
93.03468	6.1
94.03764	0.8
103.91661	0.6
108.02176	13.5
109.02967	29.8
110.03297	1.2
115.00378	4.5
119.05035	7.5
121.02969	4.3
122.03759	7.8
122.06050	0.6
123.03303	0.6
123.04514	2.6
124.01679	1.3
131.05017	1.0
133.02954	0.7
133.06572	1.0
135.04535	27.1
136.04845	1.2
137.02432	1.7
138.05649	4.5
139.05974	3.2
140.07198	4.3
145.02953	0.7
145.06598	2.1
147.04538	2.4
149.06078	1.0
154.02704	1.0
161.02396	0.6
161.06070	1.3
163.03986	3.5
175.02328	0.6
175.04025	0.7
177.05559	0.7
179.03513	10.1
179.07146	0.9
180.04230	1.7
180.07492	0.6
181.05011	0.8
185.06122	0.6
208.05310	0.7
210.06911	1.0
211.07652	0.8
225.05482	0.9
226.06367	18.1
227.07109	15.6
228.07510	1.0
239.07185	1.6
240.07915	0.9
253.08676	2.5
255.10266	100.0
256.10632	10.0
280.34244	0.6
299.09387	1.9
343.08054	9.3
344.08603	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1037
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
50.57830	0.4
59.01381	13.4
70.79139	0.9
70.79493	0.7
83.28282	0.4
90.15585	0.4
93.03448	0.9
95.05038	0.8
107.05006	0.8
108.02180	0.9
109.02959	7.3
109.06625	3.7
119.05031	4.6
121.02957	6.4
122.03763	1.4
130.74171	0.5
135.04541	8.1
136.04872	0.9
137.06093	30.6
138.05534	3.4
138.06464	1.5
139.04019	1.2
139.05927	2.6
163.04045	0.5
166.02678	1.5
174.18420	0.5
179.03468	0.6
180.03842	0.5
181.05078	100.0
182.05408	5.3
226.06404	0.7
227.07167	1.0
238.05882	0.5
246.33786	0.5
255.10278	5.1
300.56943	0.5
301.11038	0.6
318.92847	0.6
343.10455	11.2
344.10800	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1398
Annotation	Taxuside
Peak:m/z	Relative Intensity
59.01380	1.5
61.16459	0.2
67.98663	0.2
69.91371	1.3
71.01363	0.9
72.79622	0.2
75.00858	0.4
89.02440	0.5
93.03465	0.8
98.20477	0.3
107.84190	0.2
108.02180	1.5
109.02956	2.2
111.04514	0.5
115.00304	0.2
119.03587	0.2
119.05019	1.7
121.02983	0.5
122.03742	9.1
123.03259	0.7
124.01663	0.4
124.03619	0.5
135.04529	5.1
136.04836	0.3
137.02457	1.3
137.06073	1.7
138.05605	6.1
139.05954	4.1
140.07162	0.6
144.46323	0.2
154.02710	0.8
161.06105	0.3
163.04036	0.6
163.07651	0.3
168.02997	0.4
179.03490	2.2
181.08704	100.0
182.09029	5.9
201.33058	0.2
226.06380	1.1
227.07152	1.6
255.10254	5.7
256.10641	0.7
285.25012	0.3
299.09750	0.3
307.14368	0.2
343.08148	1.4
343.13962	1.6
344.06274	2.3
344.14496	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92657	0.3
58.41370	0.3
59.01384	7.9
65.86544	0.2
68.01420	0.6
69.57049	1.4
71.01384	0.6
75.00864	1.3
85.02969	0.3
87.33943	0.2
89.02415	0.3
93.03452	0.5
96.66079	0.2
105.15824	0.3
108.02213	0.3
109.02963	1.0
119.05042	0.7
122.02457	0.5
122.03744	0.7
123.03271	10.1
124.03600	0.3
135.04546	5.5
136.04866	2.5
137.02461	0.9
138.05621	100.0
139.05981	4.1
151.67935	0.2
152.07162	0.5
163.04077	0.2
165.04390	0.3
179.03493	3.5
180.03851	3.9
180.06570	1.8
181.04025	0.3
181.08711	10.3
214.70995	0.3
226.06335	0.4
227.07133	0.6
239.59424	0.2
255.10287	2.4
282.09872	0.6
300.10925	2.9
305.42456	0.3
342.08569	0.3
342.12161	3.7
343.08459	0.6
343.13321	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79763	0.2
58.02972	0.8
59.01390	1.1
60.53179	0.3
67.76436	0.3
68.25166	0.3
68.60432	0.3
71.01392	0.4
71.60972	0.5
73.09171	0.3
75.00870	1.5
80.47910	0.3
82.55643	0.3
82.94136	0.3
90.25202	0.3
101.02434	0.5
119.05040	0.7
126.60814	0.3
128.10823	1.1
129.05568	0.6
130.08746	100.0
131.09087	3.7
135.04536	0.9
137.06100	0.7
138.05553	0.4
138.06494	0.6
149.78806	0.3
163.04004	0.5
172.09802	69.0
173.10126	2.9
193.20288	0.3
211.06120	0.4
212.06567	1.2
220.34599	0.3
267.06189	0.3
309.44574	0.3
328.90335	0.3
342.11005	0.4
342.19250	3.9
343.21194	0.5
354.16602	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0373
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90041	0.2
59.01384	82.4
60.01717	0.9
61.98828	0.4
69.86736	1.0
69.87141	0.5
77.42252	0.2
92.12959	0.2
98.19965	0.3
113.04548	0.2
115.02505	0.3
117.00491	0.3
136.87094	0.2
142.26462	0.2
157.03571	7.2
158.03706	0.7
159.01543	2.7
166.96136	0.2
177.32478	0.3
201.02560	100.0
202.02722	9.6
202.84277	0.3
343.03708	2.0
344.04233	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2695
Annotation	MEDICA 16
Peak:m/z	Relative Intensity
59.01375	6.6
64.81129	1.4
67.06038	1.2
71.01401	2.4
71.61324	2.1
71.61700	1.6
84.74963	1.2
89.02438	3.9
119.05014	3.2
179.05611	1.7
196.04575	1.3
197.12747	1.7
279.26935	68.7
280.27481	6.5
297.27621	1.5
323.25912	21.9
324.26224	2.7
336.91248	1.4
341.20352	4.2
341.26959	100.0
342.27243	10.9
345.91278	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3061
Annotation	1-O-Octadec-9-enyl glycerol
Peak:m/z	Relative Intensity
59.01372	3.6
59.38784	1.4
71.01409	1.8
71.05022	22.6
71.46874	1.5
71.60632	1.6
73.02936	1.5
83.04975	1.5
89.02451	1.8
95.77641	1.5
160.84029	1.6
185.00786	3.4
227.20323	1.9
256.12003	1.7
267.26996	3.6
281.28479	23.5
282.28690	2.9
323.29565	15.9
341.19766	3.6
341.30594	100.0
342.30945	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	342.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00326	0.5
50.62806	0.2
55.46487	0.2
55.95299	0.2
57.79739	0.2
59.01385	12.8
60.82519	0.2
68.01424	2.5
69.03465	0.3
69.56329	1.4
71.01389	0.6
73.02946	0.2
75.00876	1.8
81.61442	0.2
85.02943	0.2
88.90343	0.2
95.05032	0.3
95.14917	0.2
96.04578	0.5
109.02872	0.4
110.02483	0.2
110.06145	0.4
112.22796	0.2
119.05018	0.3
121.02912	0.3
122.02504	0.9
122.06139	0.2
123.03279	8.0
124.03608	0.2
124.04034	0.2
124.07675	0.6
131.48679	0.2
135.04573	0.4
136.07697	0.5
137.04858	0.6
137.25154	0.2
138.05621	100.0
139.05978	4.2
140.07156	0.2
150.09303	0.2
152.07190	0.8
167.05896	0.8
168.06580	0.3
180.06691	4.8
181.06946	0.5
192.06691	0.6
222.07701	0.2
246.59126	0.2
276.11334	0.2
276.38519	0.2
282.09845	1.4
299.58987	0.2
300.10858	2.3
305.81839	0.2
318.84598	0.2
322.46362	0.2
342.11960	7.1
343.12418	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1089
Annotation	Trehalose
Peak:m/z	Relative Intensity
55.01873	0.9
55.64875	0.8
57.03443	1.5
58.00593	3.5
59.01382	100.0
60.01715	1.1
69.67205	5.1
71.01388	65.4
72.99314	4.1
73.02938	1.6
78.95965	0.8
83.01396	3.0
85.02952	8.4
85.81310	0.8
87.00877	4.4
88.44263	0.8
89.02449	84.0
90.02785	1.1
95.01398	3.9
101.02451	33.2
107.03507	0.9
113.01687	1.7
113.02456	24.5
119.03506	28.2
120.03853	1.0
131.03513	4.3
135.04543	3.8
143.03506	8.3
149.04514	3.8
161.04581	9.3
179.03528	5.1
179.05614	31.8
180.05954	1.4
341.10889	33.9
342.11246	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	81.2
60.01717	1.3
71.01380	3.6
73.02928	1.4
75.00880	3.2
78.14141	1.1
79.95745	6.8
85.02970	1.5
86.72057	1.0
89.02470	3.0
98.20635	3.1
99.07964	1.2
101.02451	2.3
113.02474	1.6
119.05034	100.0
119.15662	1.1
120.05355	3.9
135.04478	1.6
137.06078	1.2
149.06039	1.0
179.05699	1.6
211.06131	1.1
217.12370	3.3
341.06955	8.5
341.10535	2.0
341.19489	1.5
342.07153	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	83.4
71.01398	3.1
73.02940	1.2
74.81003	0.8
75.00888	5.4
77.52460	0.9
79.24400	0.8
87.00827	1.2
89.02460	2.6
92.12799	0.9
101.02391	1.6
104.04265	1.0
113.02419	2.0
119.05034	100.0
120.05393	5.8
143.93462	0.8
161.04494	1.7
181.86578	1.1
203.31349	0.9
212.34938	0.8
283.13495	1.1
328.79590	1.1
330.84692	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99681	1.1
56.12208	1.1
58.00580	2.0
59.01102	1.5
59.01378	24.1
59.91994	1.3
60.12170	1.3
63.20472	1.4
69.03457	6.0
71.01389	14.2
71.56933	1.7
71.58058	1.1
72.99290	1.8
75.00875	40.0
76.75566	1.1
85.02942	2.5
87.00866	1.3
89.02451	11.9
91.38784	1.2
93.03460	100.0
94.03786	2.9
97.02941	11.5
101.02437	5.1
107.05010	4.1
108.02186	1.3
109.02953	5.5
111.39303	1.3
113.02451	4.4
117.03474	8.4
119.03503	5.4
119.05037	26.4
121.02976	2.9
122.03712	1.9
123.03269	8.7
123.04527	2.2
129.03477	2.2
130.04221	2.7
131.04990	4.6
133.02931	3.4
133.06592	4.1
134.03741	1.5
135.04530	52.3
136.04855	3.0
137.02452	14.1
137.04771	1.5
138.05615	83.9
143.05009	3.8
145.02939	3.8
145.06604	19.3
146.06929	1.9
147.04517	15.3
149.06018	3.8
157.06589	3.9
158.03680	4.7
159.04518	8.2
159.08133	3.4
161.02480	2.5
161.06065	5.1
163.03978	5.1
163.07668	16.5
164.07996	2.2
165.05595	1.5
171.04472	4.1
172.05231	2.7
173.06082	26.4
175.04005	23.7
176.04338	2.4
177.05617	8.5
179.03474	25.9
179.05582	5.0
180.03868	1.7
184.05186	1.6
185.02441	2.5
185.06094	8.9
191.07143	53.2
192.07469	4.1
203.07140	20.4
204.07443	1.6
221.04398	1.3
222.06868	2.4
223.07652	15.9
224.08237	3.1
225.09232	11.5
235.07687	4.4
237.09200	10.4
238.09573	1.4
239.07120	2.5
239.10736	4.4
248.08565	1.4
249.09279	7.8
250.09824	3.1
251.10744	5.0
253.08575	1.6
255.06691	1.6
260.08359	1.7
261.09198	15.3
262.09467	1.9
265.04941	1.6
265.08606	2.4
277.05054	1.3
277.08734	1.6
279.10275	79.9
280.10675	8.3
297.11307	26.1
298.11459	1.5
300.10880	2.8
340.83850	1.2
341.10849	11.6
342.11667	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.109
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
55.01876	1.4
57.03448	1.6
58.00597	3.5
59.01382	100.0
60.01716	1.4
65.05703	0.4
65.34465	0.4
69.03466	0.6
69.73598	1.4
69.74024	1.4
71.01387	68.1
72.01729	0.9
72.99312	3.5
73.02948	2.2
77.12463	0.5
83.01395	2.0
85.02957	9.5
87.00875	2.7
89.02449	80.8
90.02792	1.5
95.01396	4.1
97.03054	0.5
99.00876	0.5
99.35174	0.4
101.02451	31.4
102.02788	0.8
107.03534	0.6
113.02459	23.8
114.02760	0.7
116.59000	0.5
119.03507	27.8
120.03843	1.2
120.48544	0.4
125.02442	0.8
131.03516	4.9
138.92287	0.4
143.03505	8.5
149.04567	3.2
161.04562	9.1
179.05615	28.1
180.05890	1.2
341.10883	37.3
342.11176	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	341.0876
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
55.29718	0.5
57.75430	0.6
60.43504	0.5
70.39523	0.4
71.01399	0.7
71.40958	1.1
75.00868	0.9
75.91625	0.5
87.42995	0.5
89.02467	0.7
91.03162	0.6
93.03468	1.0
101.02486	0.5
107.05045	1.3
134.03770	2.3
135.04535	97.0
136.04868	4.3
179.03508	100.0
180.03847	6.2
189.54631	0.5
244.72551	0.5
248.96523	0.5
341.09244	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.088
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
52.28911	0.3
57.03464	1.1
59.01382	3.3
69.72917	1.4
69.73339	0.7
71.01392	2.2
73.53333	0.3
75.00879	7.4
83.01391	0.4
85.02943	0.4
89.02450	1.7
93.03461	2.0
97.02947	0.4
101.02466	0.6
107.05051	1.2
109.02978	1.0
110.92786	0.4
113.02471	0.5
117.03482	0.8
119.03494	0.8
119.05033	1.5
121.02968	1.5
123.03252	1.3
125.66310	0.4
133.02914	0.5
134.03770	2.9
135.04535	99.6
136.04855	5.3
137.02487	0.6
138.05617	12.2
141.53329	0.3
147.04568	1.0
149.06088	0.5
155.45464	0.3
159.04501	0.7
161.02409	0.9
164.08418	1.2
175.04027	1.3
177.05559	0.8
178.02733	0.5
179.03506	100.0
180.03833	6.2
180.06459	0.4
180.95935	0.3
223.07726	0.6
253.08736	0.4
267.06567	0.5
279.10345	0.8
297.07721	1.3
297.11047	0.4
341.08734	10.8
342.08899	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	1.8
58.97981	0.5
59.01386	4.3
64.62444	0.5
69.03421	1.2
70.56271	1.2
70.56612	0.6
71.01340	0.6
85.06570	0.8
97.02905	0.6
97.06591	2.9
111.04469	1.5
111.08089	1.7
113.06105	4.2
115.07609	1.1
123.08164	3.4
125.06071	2.7
127.11240	1.7
128.49648	0.5
137.09673	0.6
149.09653	0.5
151.11250	2.0
153.09229	1.2
169.12347	13.6
171.10278	7.7
181.12277	1.9
207.17497	1.4
223.17084	4.0
233.19101	2.1
235.17032	2.2
251.16440	1.2
251.20349	0.7
253.18050	2.0
259.16962	1.7
277.18103	8.1
278.18265	1.1
279.16016	5.7
280.16296	0.6
295.19153	100.0
296.19489	10.1
297.17087	10.2
298.17404	1.4
321.17004	3.2
339.18140	22.1
340.18588	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	339.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	20.4
59.01372	68.6
66.71637	22.3
71.62025	40.9
90.27302	19.7
96.95992	21.2
101.78361	21.6
105.29129	21.1
135.04468	53.4
191.03427	33.0
295.19040	100.0
319.20340	30.1
339.18307	28.6
339.25229	96.2
342.13089	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	339.2329
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
67.86681	0.5
69.89964	0.8
69.90410	1.9
103.45055	0.5
125.69633	0.5
136.19046	0.4
147.08171	0.7
163.11293	100.0
164.11617	4.2
339.23288	85.3
340.23608	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	339.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60783	0.6
59.01383	100.0
59.89401	0.6
60.01730	1.3
61.11370	0.6
70.03419	3.5
71.01402	2.6
75.00879	9.4
83.01441	0.7
85.02959	1.4
87.52261	0.8
93.03482	1.8
98.89561	0.7
101.02486	3.1
109.02950	8.8
109.03581	0.8
113.02479	1.6
117.03459	0.9
121.02982	2.2
133.02983	1.4
134.03728	1.7
135.04533	21.6
136.04895	1.0
145.02986	4.1
147.04527	1.1
157.02982	2.5
158.03528	0.9
159.04564	3.0
161.02466	7.1
161.04584	1.6
163.04031	1.0
173.02455	1.8
175.04045	1.9
177.01987	2.0
177.05545	3.8
185.02495	2.9
191.03519	1.4
211.07692	0.9
221.06116	2.5
224.04861	1.4
225.05653	1.9
227.07112	1.0
229.01390	10.9
230.01910	0.8
238.06590	0.9
239.07169	2.5
248.04741	1.5
249.05635	2.9
250.06393	2.3
252.04485	0.8
253.05231	1.3
265.05057	1.4
266.05792	1.5
267.06647	9.6
276.03934	1.0
277.05121	3.6
278.05783	1.4
279.14587	2.8
293.04733	1.6
294.05460	1.5
295.06262	9.1
295.09702	1.2
296.06726	1.1
339.05084	20.1
339.08600	1.8
340.05502	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	27.9
59.01385	36.3
69.03468	1.2
69.37995	6.0
69.38411	1.6
71.88667	0.7
83.01414	0.9
84.57884	0.8
100.56550	0.9
103.22128	0.8
111.92173	0.7
191.03453	1.5
193.15993	5.2
195.13936	1.2
207.17471	1.2
209.19119	100.0
210.19475	9.0
211.17107	3.5
217.15962	1.1
233.19136	7.2
235.17044	5.2
251.20177	40.9
252.20473	4.2
253.17929	4.6
277.18124	3.8
278.18250	0.8
279.15985	9.8
280.16171	1.1
295.19171	10.6
296.19434	1.2
300.71234	0.9
303.15964	0.9
321.17157	3.6
339.18155	55.4
340.18484	5.8
359.53378	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1814
Annotation	Pentamidine
Peak:m/z	Relative Intensity
54.17486	0.4
57.03184	0.8
57.03455	16.2
59.01382	8.6
60.57099	0.4
69.03453	1.3
70.31644	1.0
70.32037	1.0
71.05046	0.8
83.01400	1.6
83.05022	1.3
84.98241	0.5
95.05019	0.5
97.03047	0.4
97.06599	0.6
98.00110	0.9
99.08174	1.7
105.95898	0.5
113.09729	0.9
124.65588	0.5
157.47972	0.4
167.14407	0.5
179.14418	0.7
181.16002	1.5
191.14526	0.9
193.15981	5.8
197.19142	0.6
202.81798	0.5
205.15996	1.7
207.17548	8.4
208.17912	0.8
209.15558	2.9
209.19112	14.5
210.19492	1.3
211.17104	0.9
221.19077	1.1
223.16910	0.5
223.20662	1.8
225.18599	9.6
226.18819	0.8
231.17513	1.6
233.19096	4.9
234.19498	0.8
235.17183	2.5
249.18608	7.0
250.18909	0.5
251.20181	35.8
251.68742	0.6
252.20551	3.1
253.18088	9.4
254.18333	1.3
267.19678	1.7
271.19177	3.2
277.18030	2.6
293.17599	2.7
295.19153	30.9
296.19458	2.6
303.16095	0.5
303.62579	0.5
321.17142	1.3
339.18140	100.0
340.18512	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	339.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.4
62.49116	0.4
65.03963	0.8
67.01903	0.7
67.18070	0.6
67.91110	0.5
69.03477	0.6
71.01390	1.5
75.00880	28.9
75.46053	0.5
78.95899	1.3
82.63916	0.5
83.01397	0.6
83.05022	1.7
93.03485	0.9
95.01416	1.4
95.05020	0.7
96.96972	0.9
97.02962	0.8
97.06612	0.9
107.05036	1.0
109.02969	1.7
111.04530	0.8
113.02440	1.2
119.05051	0.9
121.02958	1.9
121.06589	0.7
122.66991	0.5
123.04527	2.2
123.08155	1.4
124.94321	0.5
127.04025	1.8
129.05598	2.3
133.02960	0.9
134.03743	6.3
135.04538	100.0
136.04869	4.7
139.07651	1.9
141.45676	0.5
145.02927	1.1
147.04547	1.0
149.06071	1.4
159.04543	1.2
161.02469	1.4
163.04114	0.6
167.07072	0.8
177.05550	4.4
183.08080	0.5
185.02420	0.6
191.03555	0.8
193.04959	0.5
201.05602	0.5
201.09158	0.7
209.06129	0.9
211.06100	1.7
219.10240	0.9
227.07162	1.3
229.01474	1.7
231.10362	0.5
233.11855	1.8
245.04549	0.5
250.06232	0.8
251.07184	2.7
252.04280	0.5
266.05756	0.7
267.06601	1.7
277.05243	0.7
277.11295	0.5
279.08786	4.1
279.12039	0.9
280.03763	0.7
294.05505	0.6
295.06171	4.3
296.06091	0.6
297.10007	2.5
339.05066	3.5
339.08386	0.8
339.11313	1.0
339.14597	0.7
339.18146	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.1
59.30473	0.1
71.61813	0.2
75.00876	2.8
85.03033	0.1
91.05534	0.2
91.91526	0.1
93.03475	0.2
96.96008	0.2
106.04327	0.1
107.05042	0.7
109.02962	0.2
117.03475	0.3
119.05008	0.2
121.02941	0.1
133.02977	0.1
134.03757	2.1
135.04530	100.0
136.04854	4.5
145.02989	0.2
191.03513	0.2
249.23763	0.1
251.07144	0.4
267.06647	0.2
277.14600	0.2
295.06293	0.2
339.05023	0.4
339.11478	0.2
339.18329	0.2
340.11383	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.4
62.49116	0.4
65.03963	0.8
67.01903	0.7
67.18070	0.6
67.91110	0.5
69.03477	0.6
71.01390	1.5
75.00880	28.9
75.46053	0.5
78.95899	1.3
82.63916	0.5
83.01397	0.6
83.05022	1.7
93.03485	0.9
95.01416	1.4
95.05020	0.7
96.96972	0.9
97.02962	0.8
97.06612	0.9
107.05036	1.0
109.02969	1.7
111.04530	0.8
113.02440	1.2
119.05051	0.9
121.02958	1.9
121.06589	0.7
122.66991	0.5
123.04527	2.2
123.08155	1.4
124.94321	0.5
127.04025	1.8
129.05598	2.3
133.02960	0.9
134.03743	6.3
135.04538	100.0
136.04869	4.7
139.07651	1.9
141.45676	0.5
145.02927	1.1
147.04547	1.0
149.06071	1.4
159.04543	1.2
161.02469	1.4
163.04114	0.6
167.07072	0.8
177.05550	4.4
183.08080	0.5
185.02420	0.6
191.03555	0.8
193.04959	0.5
201.05602	0.5
201.09158	0.7
209.06129	0.9
211.06100	1.7
219.10240	0.9
227.07162	1.3
229.01474	1.7
231.10362	0.5
233.11855	1.8
245.04549	0.5
250.06232	0.8
251.07184	2.7
252.04280	0.5
266.05756	0.7
267.06601	1.7
277.05243	0.7
277.11295	0.5
279.08786	4.1
279.12039	0.9
280.03763	0.7
294.05505	0.6
295.06171	4.3
296.06091	0.6
297.10007	2.5
339.05066	3.5
339.08386	0.8
339.11313	1.0
339.14597	0.7
339.18146	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0722
Annotation	Esculin sesquihydrate 
Peak:m/z	Relative Intensity
69.69910	1.5
73.50774	0.2
75.00880	0.7
93.03462	0.9
101.02413	0.2
105.03453	1.2
107.57188	0.2
108.02169	1.6
109.01501	0.2
109.02991	0.4
115.31616	0.2
120.02235	0.6
121.02984	1.4
123.04494	1.0
132.02171	0.4
133.02943	2.1
135.04510	2.3
148.01671	1.3
149.02448	2.0
159.04492	0.2
175.03925	0.3
176.01161	11.5
177.01935	100.0
178.02266	5.6
185.37482	0.3
191.03436	0.2
229.01501	0.4
262.12921	0.3
281.89108	0.3
295.06253	0.4
306.58347	0.2
339.07278	18.7
340.07568	1.9
358.59384	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0874
Annotation	Piperphilippinin IV
Peak:m/z	Relative Intensity
57.04490	3.5
59.01385	4.4
61.98845	6.8
62.26438	4.4
70.74028	10.2
74.28046	4.8
98.20346	6.6
121.02961	62.2
142.05397	5.4
147.04532	97.1
152.63911	4.6
177.01747	3.8
183.01244	24.9
191.03461	4.8
193.10231	46.6
207.08199	7.0
207.11742	7.6
221.09660	7.5
223.07512	9.5
251.07019	20.3
251.10770	27.5
295.09726	91.0
296.09933	12.7
339.04974	8.7
339.08704	100.0
339.16376	15.1
340.08972	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	339.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	40.1
69.03462	3.4
71.01379	5.4
71.61259	3.2
73.02957	5.9
75.00858	2.2
78.95900	4.4
83.01378	13.6
85.02929	2.5
93.03458	28.1
97.02958	2.5
101.02467	2.5
107.05048	16.4
108.37045	2.3
111.00884	2.9
117.03473	6.4
119.05035	9.3
119.68243	2.5
131.05032	3.0
132.05833	14.3
133.02940	4.0
133.06601	51.6
134.03731	8.5
134.06966	3.3
135.04535	100.0
136.04887	3.0
143.05125	4.6
145.02928	7.1
145.06599	9.2
147.04521	8.8
147.08113	3.2
156.05782	4.1
157.06581	20.4
159.08197	4.6
159.91815	2.3
160.05237	12.5
161.05984	3.3
163.04080	3.2
163.07677	3.0
165.05579	22.3
169.06593	3.6
173.06100	7.9
175.07655	25.7
176.08026	2.6
177.01953	37.9
177.05519	5.8
187.07657	11.1
191.03461	3.2
195.06601	13.0
199.07596	4.8
201.05518	9.4
217.08742	9.3
219.06673	3.2
235.09782	26.3
245.33672	2.1
279.08762	86.4
280.09088	6.9
297.09750	9.4
339.04785	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	339.0511
Annotation	Salvianolic acid G
Peak:m/z	Relative Intensity
50.50342	0.2
59.01373	1.0
60.09901	0.2
63.01781	0.2
71.01385	0.8
75.00880	3.2
85.02956	0.3
89.03967	0.4
91.59534	0.2
93.03468	1.6
101.03979	0.4
108.02152	1.3
108.25854	0.2
109.02958	31.3
110.03286	1.0
113.02470	0.5
113.03969	0.4
115.05568	0.3
117.03466	3.2
119.04928	0.2
121.02963	4.4
129.03426	1.0
130.04263	0.3
131.05052	1.8
133.02953	0.8
134.03749	0.5
135.04507	0.7
137.02460	2.9
141.03424	0.3
143.05067	0.2
145.02957	20.2
146.03232	1.2
147.04512	0.8
149.02429	0.5
157.02948	16.8
158.03743	2.9
159.04520	13.8
160.01677	0.2
160.04843	0.8
161.02440	2.3
162.02899	0.2
163.04018	2.7
165.07054	0.5
167.05042	0.3
167.08569	0.2
169.06544	0.5
173.02448	5.7
174.03201	2.2
175.04001	6.7
176.04373	0.5
177.01904	0.3
180.05833	0.3
180.84903	0.2
181.06548	0.4
182.03674	0.4
183.04543	0.6
183.08141	0.6
185.02432	9.6
186.03230	1.4
187.03961	1.1
189.02011	0.3
193.06577	4.4
194.07239	0.4
195.04533	0.5
195.08153	0.6
195.10249	1.3
196.05322	2.1
197.06064	2.4
198.06516	0.2
199.03972	0.3
199.07686	0.6
200.01135	0.4
201.01949	3.0
202.02603	0.4
203.03491	0.5
204.05763	0.6
205.01431	0.3
205.06529	0.8
207.04546	0.3
208.05272	0.3
209.06079	2.5
210.06787	0.9
211.04056	1.0
211.07623	3.8
212.04784	0.4
212.08025	0.2
213.01923	0.7
213.05550	0.4
216.00749	0.2
217.01541	0.2
219.04472	0.6
220.05301	2.0
221.06071	8.5
222.06761	2.5
223.04030	0.4
223.07576	1.3
224.04788	3.1
224.07965	0.2
225.05530	2.2
227.03555	0.7
228.00732	0.6
229.01411	75.1
230.01831	6.2
231.04572	0.3
232.05284	1.8
233.06104	1.2
235.03993	0.4
236.04608	0.3
237.05550	3.6
238.06334	3.3
238.40752	0.3
239.03374	0.9
239.07124	7.9
240.04309	0.6
240.07408	0.5
241.05032	0.5
247.04042	1.0
248.04800	5.1
249.05559	17.1
250.06308	10.6
251.03520	0.5
251.06898	1.7
252.04243	1.0
253.05072	3.8
260.04773	0.7
261.05566	0.6
263.03482	0.7
264.04272	1.0
265.05020	5.2
266.05811	8.5
267.06607	46.9
268.04230	0.3
268.06995	4.6
275.03613	0.4
276.04245	2.8
277.05042	23.4
278.05695	6.4
279.03119	0.3
279.06219	0.7
280.03726	1.8
281.04355	0.4
292.03705	0.7
293.04578	11.7
294.05280	7.0
294.08694	0.3
295.06097	38.9
296.06415	4.3
309.04230	0.4
311.05630	0.6
321.04041	1.1
337.03244	0.4
339.05078	100.0
340.05408	11.7
340.09744	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0721
Annotation	AESCULIN
Peak:m/z	Relative Intensity
59.01374	1.2
60.37656	0.2
71.40527	0.5
74.45631	0.2
76.17522	0.2
81.03465	0.4
83.01369	0.2
89.03973	1.8
93.03461	1.0
105.03468	3.4
107.05022	0.5
116.39976	0.2
117.03427	0.2
119.04975	0.4
122.90639	0.2
132.05833	0.7
133.02969	7.4
133.06610	1.8
134.03218	0.3
135.04521	3.3
145.06583	0.3
147.04547	0.4
149.02437	0.9
156.05801	0.3
157.06599	0.7
160.05348	0.5
165.05550	0.8
175.07704	0.7
176.01138	0.6
177.01936	100.0
178.02280	5.4
187.07651	0.4
195.06601	0.7
200.82155	0.2
201.05522	0.4
235.09772	0.5
279.08710	3.4
280.09085	0.4
339.07327	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	337.2022
Annotation	Monacolin J acid
Peak:m/z	Relative Intensity
50.48629	1.3
55.01683	1.1
57.03442	5.5
59.01375	6.4
64.45424	1.2
69.95993	1.1
71.61717	2.5
77.04849	1.5
83.01412	6.8
87.73038	1.3
96.96009	3.6
194.63789	1.3
209.19109	21.2
222.33292	1.3
223.17026	4.4
233.19090	2.7
235.17065	2.1
249.22215	5.5
251.20164	44.2
252.20494	5.0
253.18050	2.0
265.21530	2.4
269.21255	8.5
275.20169	5.7
293.21252	72.3
294.21457	7.6
319.19012	1.5
337.20190	100.0
338.20502	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	337.2024
Annotation	LISURIDE
Peak:m/z	Relative Intensity
57.03453	12.9
58.03774	0.4
59.01391	1.7
65.00327	17.5
66.00680	0.6
71.61811	0.6
81.03461	2.6
83.01396	7.7
92.31171	0.4
96.95995	1.1
122.03738	0.7
122.28085	0.4
123.04475	0.4
125.02453	100.0
126.02766	3.6
175.17981	0.4
189.53053	0.4
211.17043	1.8
225.18619	1.6
227.20175	2.0
235.17065	0.6
251.20244	1.2
293.21231	11.3
294.21600	1.5
295.19122	1.6
337.20227	41.7
338.20627	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	337.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	45.5
61.98856	26.2
70.13625	100.0
90.71465	22.5
337.18405	87.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2385
Annotation	Betaenone E
Peak:m/z	Relative Intensity
50.70195	0.3
57.03441	0.6
58.18900	0.4
59.01378	0.9
67.01921	0.4
69.03465	0.6
69.69370	2.5
71.21106	0.4
72.38635	0.4
74.56903	0.3
82.61086	0.4
83.05029	0.8
95.05057	0.5
97.06577	0.5
143.66049	0.4
152.47675	0.3
180.56122	0.3
190.79370	0.4
195.17590	0.5
223.20636	1.8
225.22183	1.2
238.96982	0.4
249.22189	0.6
251.20209	1.5
253.21707	6.4
254.22050	0.6
263.23779	1.7
264.67163	0.5
265.25378	4.0
266.25620	0.4
266.87543	0.4
273.22217	0.7
275.23737	1.3
291.23392	1.6
292.23782	0.4
293.24872	39.8
294.25247	5.5
295.22757	6.4
296.23102	0.5
337.23846	100.0
338.24216	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	337.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	26.2
71.01385	1.5
71.61254	1.3
75.00866	1.6
80.67123	0.6
85.02962	0.7
88.79430	0.7
96.96004	0.9
106.06652	1.0
112.14206	0.6
119.05023	0.8
133.02992	2.0
135.04568	0.7
145.07730	7.6
146.04877	1.6
150.05656	0.8
159.05728	1.0
159.09247	1.7
160.06441	25.8
161.07224	95.4
162.07596	4.5
164.04645	0.7
171.09233	0.9
173.07201	1.2
173.10834	2.5
175.08762	4.4
183.09212	0.8
185.10968	0.8
186.08009	1.2
187.08777	11.7
188.09210	1.3
199.08817	1.6
201.08487	0.8
201.10356	12.5
202.10768	1.0
203.08286	4.1
211.08710	0.7
217.09837	4.7
229.09830	32.5
230.10202	2.9
249.05608	2.8
277.11942	100.0
278.12289	9.1
293.04596	1.8
293.07877	0.7
295.12863	3.6
337.03705	0.9
337.07397	2.8
337.13828	8.1
337.20422	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01726	0.8
71.17101	2.0
75.00882	2.4
86.03453	0.6
99.00898	0.7
101.02430	0.7
115.00379	1.0
117.03441	0.7
119.05042	1.0
133.03073	1.2
133.06630	1.7
135.04530	1.7
145.03014	1.4
149.06154	2.6
158.51866	0.7
159.04588	1.3
161.02519	2.5
161.06100	9.9
175.02580	1.0
177.01982	1.0
179.03539	0.9
203.07217	0.9
205.05141	1.0
260.76828	0.8
337.09875	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.166
Annotation	18-Cooh-19,20-ltb4
Peak:m/z	Relative Intensity
52.71888	0.4
57.03456	12.2
58.60545	0.4
59.01386	2.2
61.98809	0.6
63.80637	0.4
65.00319	0.7
70.14874	2.3
81.03467	11.3
83.01406	4.0
83.05083	0.5
96.96047	0.6
121.03011	0.5
125.02459	100.0
126.02792	3.2
136.63194	0.6
151.00383	0.5
167.14426	8.6
168.14899	0.6
191.14339	0.7
207.17575	1.8
209.15495	19.7
210.15865	1.3
211.13432	3.4
223.17087	0.7
227.16577	1.5
229.14380	2.5
231.17621	1.7
233.15454	1.1
249.18633	1.7
251.16542	8.5
275.16544	4.6
276.16907	0.7
293.17682	7.5
294.17795	0.9
337.16595	46.1
337.23599	1.4
338.16895	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	336.0728
Annotation	3-Indole carboxylic acid glucuronide
Peak:m/z	Relative Intensity
57.01416	0.2
59.01395	0.5
63.59245	0.2
69.60680	0.6
69.61099	1.0
73.25609	0.2
74.50668	0.2
76.72926	0.2
78.68967	0.2
91.93729	0.2
103.04739	0.3
116.05070	4.1
133.00391	0.2
143.68462	0.2
159.03369	0.3
160.04060	100.0
161.04430	5.1
162.82930	0.2
175.04033	0.2
204.03023	8.8
205.03381	0.7
260.55801	0.2
263.29388	0.2
336.07272	15.3
337.07529	1.6
337.14874	0.3
359.39966	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0932
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
55.19680	0.4
57.03449	0.5
58.00581	0.5
59.01382	6.4
61.98833	3.6
65.03991	0.5
69.03465	1.3
69.10819	0.4
70.22153	0.4
70.22505	1.5
71.01393	2.7
72.99312	6.4
73.02948	4.9
75.00903	0.9
81.03472	1.2
83.05027	2.1
85.02950	1.8
89.02460	0.7
93.03464	21.8
94.02989	1.4
94.03802	0.8
99.00869	1.8
99.04523	1.4
99.91925	0.4
101.02433	1.5
106.04229	0.7
107.05028	2.6
108.02214	0.8
109.02964	3.8
111.04539	3.5
113.02477	0.6
115.04018	0.6
117.03420	0.7
119.05030	22.3
120.05358	1.4
121.02976	4.0
123.04513	0.8
125.06070	0.6
127.04018	0.6
132.05801	1.2
133.02965	0.5
133.06593	1.8
135.04533	1.7
136.93977	0.7
137.02458	4.0
138.01996	3.7
139.02339	0.9
139.04025	16.1
143.04990	0.7
143.85313	0.5
145.02977	1.1
145.06595	0.9
147.04518	2.1
155.03517	1.2
156.05812	0.7
157.06540	2.1
159.04526	0.6
161.06056	2.6
163.04033	9.0
169.06516	0.8
171.08170	0.9
172.05276	0.7
173.04544	1.5
173.06119	1.6
173.09735	0.4
175.06210	0.4
177.02280	0.5
183.08182	0.7
184.08791	0.7
185.06090	1.1
185.09711	0.7
187.07619	2.6
189.09227	3.8
191.07132	0.9
193.06531	1.3
195.08173	3.4
198.06911	0.6
201.09119	0.7
209.06068	0.5
211.07718	2.2
213.09206	3.9
219.10204	0.5
229.08688	1.3
236.05722	0.5
239.07199	0.8
250.94897	0.5
257.08179	0.7
263.02390	2.3
293.10364	7.6
294.10706	0.6
294.93753	0.7
301.09360	3.0
319.08246	1.8
336.94275	1.3
337.09296	100.0
338.00641	0.5
338.09628	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	335.223
Annotation	13R,14R-Epoxy-15S-hydroxy-5Z,8Z,11Z-eicosatrienoic acid
Peak:m/z	Relative Intensity
54.90776	4.4
57.03455	40.6
59.01389	49.2
69.03458	29.5
70.84942	12.4
71.01387	9.3
71.05025	4.6
73.02969	6.8
74.88877	4.5
81.03477	7.2
83.01414	5.2
83.05035	18.6
95.05030	12.1
96.96036	6.7
97.06624	9.2
99.08160	15.2
109.06593	10.8
113.09718	44.2
121.10242	11.7
129.09224	19.6
133.10257	5.9
135.11667	4.8
139.11276	16.6
147.11771	4.9
149.13354	12.3
157.99078	4.6
161.13356	11.2
165.12872	11.6
167.10841	8.7
167.14430	8.4
173.13313	27.9
175.11282	14.2
179.14337	8.5
189.12807	22.4
191.10811	10.5
191.14465	16.5
193.12337	100.0
194.12729	5.7
201.16605	7.7
205.12331	14.7
205.26668	5.2
207.13939	17.9
207.17676	9.2
209.11800	11.3
217.12303	13.3
223.13416	18.2
235.13399	37.0
249.18567	11.0
255.21173	28.0
265.04938	5.2
273.22235	18.7
291.19794	8.5
317.21326	29.3
335.18643	30.3
335.22327	76.7
336.22733	12.7
336.67496	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	335.2231
Annotation	13R,14R-Epoxy-15S-hydroxy-5Z,8Z,11Z-eicosatrienoic acid
Peak:m/z	Relative Intensity
51.54636	4.4
57.03453	38.3
58.52431	4.3
59.01389	53.5
68.01060	4.4
69.03468	24.0
71.01372	4.8
71.05002	5.8
71.60520	7.3
73.02952	5.4
83.05019	10.5
93.07098	6.0
95.05045	6.4
96.96007	17.9
97.06590	14.3
99.08154	5.8
109.06551	5.2
113.09756	40.4
119.08640	6.2
121.10236	5.6
125.09663	4.9
129.09221	10.9
133.10281	5.0
134.61256	4.6
135.11848	6.3
137.09674	5.7
139.11346	15.6
147.78033	5.4
149.04716	5.1
149.13380	10.4
165.12823	9.8
167.14398	17.7
173.13338	32.3
175.11287	7.8
177.09303	4.9
179.10779	5.5
189.12810	14.4
191.10806	8.7
191.14400	17.6
193.12340	95.3
194.12723	5.3
205.12346	17.8
207.13882	5.9
207.17476	10.9
217.12341	12.0
223.13409	12.9
233.15475	8.8
235.13388	19.4
249.18565	9.7
255.21216	33.5
273.22293	22.4
291.19693	12.7
299.20276	7.2
317.21231	33.6
335.18564	42.2
335.22278	100.0
336.22491	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	335.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24186	0.9
55.01872	1.5
58.00581	3.4
59.01384	100.0
64.45746	1.1
66.41270	1.0
69.03458	2.4
71.01386	66.3
71.61271	1.7
72.01727	1.0
72.71197	1.1
72.99302	5.7
73.02951	64.6
74.03287	2.0
75.00882	7.5
81.03462	1.1
83.01394	20.1
85.02948	8.6
85.06578	1.9
87.00880	2.9
89.02449	19.2
90.26019	1.1
93.03436	1.8
95.01390	3.3
96.95994	1.4
97.02958	2.6
99.00874	3.3
101.02453	64.7
102.79166	1.1
109.03039	1.0
113.02458	17.9
113.06100	10.2
117.01984	1.3
117.03473	1.9
119.03490	8.0
125.02466	2.1
131.03482	3.6
131.07146	17.2
133.02971	2.2
134.03630	2.1
135.04553	4.9
143.03482	3.1
145.03036	1.1
149.04552	1.4
155.03522	1.8
159.04448	1.8
160.04045	1.6
161.02448	3.6
161.04555	7.1
163.03969	1.7
173.05992	1.2
173.08157	1.2
179.03508	2.8
191.03464	2.1
273.09848	1.4
275.05673	2.3
275.11386	16.0
293.12439	41.8
293.15778	2.0
294.12790	3.3
307.04950	1.3
335.13474	64.1
336.13730	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	335.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97549	0.5
55.01876	1.3
57.03446	0.8
58.00584	1.1
59.01383	27.0
71.01387	21.1
71.61722	0.9
72.99313	2.1
73.02943	2.1
75.00890	4.1
79.30012	0.5
83.01380	1.9
85.02964	5.9
85.60719	0.5
87.00904	0.9
89.02448	9.7
95.01365	1.7
97.02959	0.7
101.02444	11.0
103.37363	0.5
109.02953	0.7
111.00874	0.9
113.02457	5.3
113.09732	2.1
115.08773	1.0
119.03520	3.0
127.11288	2.0
135.04520	1.3
136.07690	0.6
147.04431	0.6
149.06026	0.6
155.10796	6.4
159.04578	0.7
172.05292	0.8
173.06055	1.1
173.10413	1.2
173.11836	18.6
174.12123	0.9
187.07658	4.0
201.05493	0.8
213.09207	0.6
213.99919	0.6
231.10234	2.7
263.03510	1.2
263.13962	0.8
317.15991	2.1
335.01932	1.2
335.05756	1.4
335.17120	100.0
336.17447	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	335.1865
Annotation	Deisobutyryl bakkenolide H
Peak:m/z	Relative Intensity
50.73952	0.8
57.03184	1.1
57.03452	14.4
57.84127	0.9
58.51591	0.9
59.01374	1.2
65.00330	18.2
70.81908	1.8
72.99339	0.8
81.03463	2.5
83.00042	0.8
83.01397	8.2
84.03951	0.7
90.34789	0.9
122.03735	1.5
125.02450	100.0
126.02777	4.5
144.32709	0.8
167.14442	2.4
207.17532	3.2
225.18633	3.8
239.78822	0.7
249.18681	1.1
291.19717	12.8
292.19925	1.4
293.17462	1.3
302.32614	0.8
330.82333	0.8
335.18631	35.3
335.22064	1.2
336.18869	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	333.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17420	0.5
57.03455	0.8
59.01385	100.0
60.01719	1.1
67.40375	0.6
70.14056	1.8
71.01381	3.4
73.02971	2.0
75.00895	1.3
83.01411	1.2
85.02989	2.3
85.94698	0.6
101.02457	4.5
113.02497	1.5
121.59257	0.5
147.04605	0.7
148.05360	1.7
161.04585	2.0
163.03996	0.8
176.64648	0.7
190.14304	0.6
286.98318	0.9
291.18094	3.7
314.97879	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77378	12.3
59.01390	100.0
61.98849	13.5
62.74669	14.2
70.19910	26.3
70.20296	25.8
75.00890	22.6
99.92643	18.6
111.99872	14.0
136.67305	12.7
218.64598	13.4
275.09482	12.9
314.97818	53.3
315.98196	12.4
338.56558	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	335.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.7
57.03447	2.1
58.00594	2.7
59.01384	78.8
66.66009	1.1
69.78156	3.5
69.78580	2.8
71.01387	46.2
72.99313	19.8
73.02937	2.5
75.00860	3.0
76.55892	1.0
83.01396	3.8
85.02965	9.0
87.00879	3.3
89.02451	42.6
93.03447	1.4
95.01385	3.2
99.00874	1.2
101.02451	33.2
101.38328	1.0
102.02788	1.3
105.04782	1.1
111.08186	1.7
113.02454	17.5
117.03495	1.9
119.03519	23.9
119.04979	5.7
131.03499	1.5
137.06102	4.3
143.03571	1.8
149.04556	1.7
149.67647	0.9
155.07170	13.8
160.04041	1.7
161.02467	1.6
161.04507	1.8
173.08226	4.1
179.05612	4.1
191.00296	1.8
218.99791	1.2
233.01305	2.1
235.02890	1.6
261.00729	2.1
263.02365	2.2
274.98636	1.2
275.02402	1.8
277.00229	2.1
279.01819	6.2
335.00824	4.0
335.13495	100.0
336.13855	8.8
342.88055	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1708
Annotation	Gibberellin A10
Peak:m/z	Relative Intensity
54.66798	0.6
57.03516	3.2
58.91087	0.6
59.01183	0.8
59.01445	2.6
62.82909	0.6
65.00408	5.0
67.22964	0.7
69.03535	0.8
71.57085	0.6
71.99783	0.8
75.00948	1.5
81.03553	6.3
83.00951	1.6
83.01482	8.4
83.05108	0.7
92.95702	0.8
95.05068	0.7
96.96071	0.7
97.06645	0.9
108.02278	0.6
122.03818	1.6
123.04627	3.0
125.02456	27.9
126.02861	1.0
133.06631	3.5
135.04654	2.4
142.64790	0.8
145.06660	1.5
146.07486	1.0
147.04601	1.1
147.08302	0.8
148.05411	0.9
156.77400	0.8
159.01010	0.7
181.15999	18.3
182.16357	1.4
187.07681	1.4
191.03613	0.7
195.15837	0.6
203.18185	3.1
205.15977	24.8
206.16394	1.9
217.15901	0.9
218.68826	0.7
219.17752	1.6
221.19167	1.9
221.65750	0.8
223.17146	3.4
229.16100	1.2
245.19124	33.6
246.19463	3.6
247.17062	41.1
247.19606	2.4
248.17336	4.4
257.08340	0.8
261.18704	1.3
265.18173	7.7
271.17014	1.0
286.98431	1.2
287.20258	0.9
289.18109	98.9
290.18423	11.1
291.15994	2.3
291.18790	1.1
314.97952	3.3
315.16101	1.0
315.19577	2.3
333.17014	100.0
334.17386	12.2
334.21042	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
65.96203	1.0
69.64415	7.2
71.01390	4.5
73.02953	2.5
75.00885	1.5
83.08416	0.9
83.62542	0.9
85.02946	2.9
99.00904	1.2
101.02451	4.1
113.02447	2.5
133.02953	2.4
134.03716	1.7
147.04559	3.5
148.05321	15.5
150.03181	1.3
152.46391	1.0
161.02422	1.2
161.04614	1.3
163.04086	1.9
181.97752	1.3
191.03549	2.0
192.04300	1.7
291.18173	5.0
314.97736	1.2
332.61282	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	6.7
59.01390	4.4
61.98829	0.8
65.00333	2.5
69.03458	1.0
69.38940	6.2
71.01374	0.8
71.33305	0.8
75.00891	4.4
79.05546	1.2
81.03463	5.6
83.01395	6.4
83.05037	3.1
91.04017	1.6
95.05028	1.0
97.06606	2.0
99.00885	0.9
109.06624	1.2
111.08163	1.3
121.03004	0.9
121.06560	3.7
123.04510	5.0
125.02471	7.8
133.02939	1.7
133.06641	1.9
135.04550	4.6
137.02470	1.3
137.09764	0.8
139.11302	9.6
147.04559	4.0
148.01715	5.5
148.05327	8.4
149.09660	1.1
161.09700	0.9
161.13393	1.9
163.03978	1.0
163.11296	16.3
163.12672	1.0
164.11632	1.2
171.15474	0.8
179.14456	6.4
187.07625	3.0
187.11313	1.2
191.03519	1.8
192.04309	1.3
197.15523	1.6
201.12842	1.1
203.14420	26.1
204.14818	1.4
205.12317	9.3
213.18666	1.3
217.15982	2.7
221.15479	6.0
223.13435	2.6
231.10233	1.1
236.03204	2.4
238.56354	0.9
239.61212	0.9
245.15472	22.0
246.15738	1.6
247.13388	16.4
248.13863	1.3
249.11313	2.9
257.08197	2.7
259.19122	3.2
265.14490	7.9
275.09299	1.4
286.98273	1.0
289.14468	51.4
290.14786	4.6
291.12457	5.0
314.97787	3.4
333.13446	100.0
333.20346	2.4
334.13748	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	333.1345
Annotation	(-)-Tetrodecamycin
Peak:m/z	Relative Intensity
50.47054	0.7
51.26881	0.6
57.03448	7.2
59.01387	4.2
60.10253	0.6
65.00327	1.7
69.34350	0.9
69.34750	6.5
75.00887	4.1
79.05544	1.4
81.03455	4.3
83.01392	7.4
83.05020	2.1
87.84013	0.8
91.04013	0.7
97.06596	2.0
109.06551	1.0
111.08158	1.2
121.06609	3.7
122.35382	0.7
123.04542	4.7
125.02444	8.6
133.02988	1.6
133.06602	2.2
135.04514	2.8
135.08159	0.9
137.09702	0.9
139.11282	9.4
146.69534	0.7
147.04498	2.4
147.08147	0.9
148.01653	3.5
148.05313	6.2
149.02373	0.7
151.03972	0.8
161.02394	0.7
161.09734	0.8
161.13400	1.0
163.04047	1.0
163.11285	15.6
172.05330	1.0
179.14433	6.2
187.07663	2.1
187.11328	2.0
191.03535	1.5
192.04300	0.9
197.15419	1.5
201.12782	0.9
203.14426	24.7
204.14717	2.1
205.12343	10.2
217.15968	3.3
221.15483	5.0
223.13504	1.3
230.99365	1.5
236.03343	2.0
245.15479	16.8
246.15721	1.1
247.13409	13.8
248.13573	1.1
249.11362	2.9
257.08182	2.6
259.19174	3.8
265.14404	6.6
275.09363	0.8
286.98331	2.8
289.14481	49.0
290.14774	4.6
291.12436	5.2
307.15015	0.8
308.43509	0.7
314.97800	8.8
333.04691	2.1
333.13443	100.0
334.13782	11.3
341.85489	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0749
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11188	7.3
56.27644	8.9
59.01386	41.1
69.64729	39.9
71.01402	17.3
72.99317	17.9
75.00886	100.0
78.95907	9.3
88.31278	6.9
89.02480	12.5
93.03468	8.1
98.20605	13.6
101.02451	20.2
102.86011	7.1
109.02954	8.6
123.04497	11.6
127.07718	7.5
133.06598	74.9
145.02983	12.6
149.56380	7.5
160.05292	10.0
161.02434	16.2
175.07617	19.7
177.01878	13.8
257.08224	11.1
297.09811	12.5
314.97733	24.3
333.06885	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	333.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80614	11.1
59.01373	40.1
69.79286	29.8
69.79698	34.8
71.01382	28.3
75.00887	26.6
78.95908	39.3
84.27603	11.1
89.02428	17.1
101.02425	16.2
109.02940	14.4
109.19171	12.5
118.56671	11.0
152.99596	28.4
153.05530	12.4
257.08276	18.4
297.11856	100.0
333.05865	39.8
333.09521	96.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45572	0.6
59.01405	0.8
69.03457	1.2
69.14222	0.9
69.37901	5.9
69.38307	1.3
72.99323	1.5
75.00877	100.0
76.01207	1.7
83.01396	2.9
109.02995	1.0
117.11711	0.7
135.04533	1.5
144.05774	1.0
146.03700	1.4
147.04495	1.2
148.05299	0.9
158.03754	1.1
159.04497	3.5
160.05249	0.9
161.06042	0.9
171.04346	0.8
172.05319	15.6
173.06032	3.2
174.03363	0.9
175.07616	1.3
176.04779	1.8
183.04544	3.0
186.06775	1.7
187.04063	2.6
187.07646	79.1
188.08020	5.3
189.05559	2.7
189.09238	1.3
191.03488	1.6
197.06137	0.8
198.06818	0.9
199.04033	7.3
200.04778	5.9
201.05518	2.6
201.09219	4.8
202.06358	2.0
202.09732	1.0
204.04272	2.2
204.07942	1.1
205.08652	3.5
211.04004	1.4
211.07698	1.5
213.09213	8.1
214.06340	2.0
215.07108	11.9
216.07762	1.9
227.03493	12.2
227.06963	1.1
227.10710	1.8
228.04274	7.7
229.08662	4.6
231.06636	19.6
231.10095	3.7
245.08264	1.2
245.11887	5.9
257.08200	54.7
258.08551	5.2
275.09280	2.9
289.07224	11.7
289.10788	2.5
290.07468	1.2
315.08725	1.0
333.09793	8.8
334.10214	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30813	0.5
52.14029	0.5
53.18803	0.5
57.12586	0.5
67.48132	0.5
69.60636	3.6
72.19083	0.6
72.99315	1.4
75.00877	100.0
76.01206	1.5
82.50627	0.5
85.32539	0.5
109.02940	0.7
132.18164	0.5
135.04543	0.9
137.13919	0.6
139.81972	0.5
159.04497	2.1
161.02431	0.8
172.05309	13.2
172.06725	1.0
173.05949	1.5
183.04510	4.9
186.06729	0.6
187.04056	2.5
187.07646	84.0
188.08038	5.8
198.06859	0.6
199.04008	9.7
200.04832	4.8
201.05644	1.3
201.09264	1.1
202.06323	1.9
204.04272	1.9
211.03970	1.9
211.07651	1.6
213.05690	1.2
213.09184	7.7
214.06393	1.5
214.09465	0.7
215.07140	16.1
216.07512	1.1
227.03479	12.9
228.04254	8.3
229.08705	3.4
231.06615	20.4
231.10052	4.3
232.07057	1.3
245.08253	1.2
257.08191	51.9
258.08453	2.7
275.09283	2.5
289.07230	10.4
289.10623	0.9
290.07553	1.2
333.09708	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.6
59.01356	1.2
60.70054	0.5
67.46272	0.6
69.43971	3.0
69.44394	0.9
75.12433	0.5
81.25924	0.5
89.02462	0.7
90.95258	0.5
91.03974	1.0
117.61287	0.5
125.50108	0.5
135.04506	1.4
162.31094	0.6
163.03946	0.7
171.01035	0.5
191.03522	3.6
192.04106	0.7
193.15924	1.1
195.17542	56.1
196.17851	3.7
213.18619	1.2
213.74658	0.5
239.16528	83.8
240.16901	6.3
257.17584	100.0
258.17899	7.9
259.72614	0.6
331.15167	1.2
331.21310	38.2
332.21652	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70396	0.4
52.01040	0.5
57.03423	0.9
59.01345	1.7
69.63564	2.3
69.63970	0.8
71.01355	0.7
89.02409	0.6
91.03974	0.8
112.65405	0.4
121.02899	1.4
135.04524	2.3
147.04539	1.0
163.03961	1.9
173.02409	0.5
191.03508	5.7
192.04190	1.4
193.15891	0.7
195.17549	53.9
196.17906	4.5
213.18576	1.5
239.16533	71.8
240.16823	6.1
257.17590	100.0
258.17889	8.7
331.21323	34.7
332.21646	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	331.1911
Annotation	17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate
Peak:m/z	Relative Intensity
57.03449	6.3
59.01379	2.2
65.00331	3.5
66.80267	0.3
67.01868	0.3
67.80370	0.3
69.03449	0.4
69.10170	0.3
69.70550	1.0
69.70966	1.0
79.05530	0.7
81.03458	6.6
83.01395	6.0
83.05013	2.2
93.03454	0.9
95.05001	0.6
97.06612	0.4
99.04532	0.3
106.04227	0.6
107.05006	0.7
108.02155	0.6
109.02889	0.6
117.50069	0.3
119.05012	0.5
120.05830	0.5
121.02941	1.1
121.06581	1.8
121.23650	0.4
122.03751	0.8
123.04528	10.8
124.04829	0.3
133.06604	4.4
134.03745	0.4
135.04532	6.0
137.02451	0.8
145.06577	1.6
146.07349	1.0
147.04521	1.8
147.08171	0.8
149.02399	0.6
151.04013	0.6
151.11215	0.4
158.03632	0.5
159.04523	0.4
162.28452	0.3
163.04010	2.0
173.69275	0.3
175.07716	0.5
181.16000	2.2
189.12891	0.5
191.03534	3.7
191.55548	0.4
192.04179	1.0
203.18008	2.0
205.15971	21.8
206.16260	1.6
217.15938	1.0
221.19102	12.3
222.19461	1.4
229.15968	2.0
243.17546	0.9
245.19096	49.9
246.19469	5.6
247.17038	8.0
248.17339	0.8
259.20639	4.6
260.20981	0.8
261.18472	0.4
263.20175	4.6
269.19092	1.3
271.17017	1.3
273.14932	0.7
285.18805	0.5
287.20178	55.8
288.20514	6.3
289.18109	20.5
290.18497	2.0
313.18115	3.2
331.19153	100.0
332.19492	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	331.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91581	0.4
55.00824	0.4
56.75337	0.3
60.99307	1.1
71.01356	0.5
71.61494	0.6
71.72494	0.4
85.02976	0.5
93.03467	0.8
107.05063	0.4
108.02180	0.7
110.34332	0.3
121.02953	0.6
122.03782	2.0
135.04527	2.3
137.09714	0.6
139.11235	0.5
143.12474	0.4
145.02890	0.6
146.93546	0.5
147.04463	0.7
149.09741	2.4
163.04028	2.0
173.02502	0.5
187.11310	0.7
191.03508	4.7
192.04114	0.8
203.14461	0.5
219.13904	4.3
220.76257	0.5
225.97078	0.4
228.89154	0.4
241.15985	27.3
242.16310	2.4
247.13353	2.5
253.15984	1.7
257.19196	13.0
258.19388	1.3
259.17181	0.7
259.20645	1.3
269.19110	7.9
270.19513	0.9
271.17020	3.1
285.18600	0.7
287.16702	0.8
287.20132	2.2
301.18015	1.2
303.19571	2.9
331.19144	100.0
332.19498	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	331.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39934	0.8
57.03447	2.1
58.99617	0.9
59.01378	9.9
64.38847	0.8
71.01387	8.1
71.61145	1.6
72.99306	2.1
73.02928	1.5
74.99097	1.7
75.00853	2.4
78.00991	0.9
85.01163	1.2
85.02961	2.5
87.00891	5.1
89.02449	3.3
93.05201	0.8
97.47961	1.0
101.02459	4.6
102.98603	2.4
109.43439	0.8
113.02450	2.3
115.02292	1.7
119.03506	1.2
119.04958	0.8
120.99657	27.2
121.02921	0.9
131.05388	1.2
133.10210	1.5
135.11798	16.6
136.12128	1.7
136.31718	1.1
147.11829	2.4
161.04561	1.8
165.12894	1.0
179.10754	2.6
191.10803	1.7
196.72400	1.3
199.11588	3.3
201.09273	2.7
209.09883	1.3
209.11830	23.4
210.12248	1.3
225.09471	2.1
227.16402	1.0
229.08803	1.3
243.10602	26.5
244.10931	2.5
255.06544	1.1
257.08179	1.7
273.07751	2.6
331.12207	100.0
331.17224	3.7
332.12537	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	331.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.8
59.01384	100.0
59.37832	0.4
60.01712	0.9
65.27013	0.5
71.01389	7.1
73.02965	2.2
75.00863	0.5
77.02847	0.5
77.99435	0.5
79.55449	0.5
79.74907	0.5
83.01402	1.2
85.02957	3.8
89.02431	0.5
90.34343	0.5
95.85858	0.5
99.00953	0.5
101.02464	3.2
113.02466	2.2
141.04410	0.5
154.84222	0.5
157.97363	0.4
159.03008	1.1
161.04601	2.1
289.16663	1.4
331.19290	0.6
331.20535	0.7
331.24860	7.6
332.25247	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67688	0.7
53.81369	0.7
55.01883	0.8
57.03443	0.9
59.01383	10.9
61.02416	0.7
71.01373	2.2
72.99303	1.0
73.02950	1.0
75.00881	2.7
78.31870	0.8
83.05066	0.8
108.33434	0.7
121.02917	0.8
169.16020	1.1
179.14410	1.8
181.15996	59.6
182.16347	4.1
191.14424	25.0
192.14687	1.5
197.15491	10.8
199.23793	0.9
209.15482	29.5
210.15883	1.1
225.14981	1.5
227.16541	28.7
228.16884	3.2
230.99341	1.2
243.16003	12.5
247.13487	1.1
253.14459	23.9
254.14816	2.1
271.15515	100.0
272.15878	8.6
289.16599	47.7
290.17032	4.7
330.97223	0.8
331.17685	39.3
331.24487	7.6
332.18042	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2335
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
57.03448	1.4
59.01375	0.7
62.89936	0.4
64.55431	0.4
69.03453	0.4
71.04994	0.4
73.02955	0.7
75.00856	0.5
93.39507	0.5
97.06563	0.6
113.09737	2.4
119.05031	0.5
123.08173	1.3
125.09727	4.3
127.11291	2.9
137.09743	0.5
139.11333	0.5
141.09225	0.8
143.10776	0.5
153.09293	1.1
155.10814	0.7
157.12357	1.5
163.04037	0.5
171.10286	12.3
172.10629	0.4
185.11868	1.1
186.12617	1.4
195.17531	1.0
223.17021	0.5
267.16040	0.5
285.17093	1.7
299.22470	0.5
311.22385	2.1
327.21820	2.0
329.23334	100.0
330.23691	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	329.2334
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
51.86010	0.2
55.46406	0.2
55.89806	0.2
57.03453	1.5
59.01383	1.0
69.03428	0.4
71.01392	0.3
71.05014	0.3
71.61008	0.3
72.99344	0.4
73.02956	1.1
74.33043	0.2
75.00899	0.5
85.02945	0.3
87.04523	0.6
93.03498	0.2
95.05038	0.3
96.95972	0.2
97.06576	0.7
99.08162	0.2
111.08173	0.5
113.06118	0.3
113.09741	2.6
119.05022	0.3
123.08161	1.8
125.09732	3.8
127.11304	3.4
137.09734	0.7
139.07564	0.3
139.11317	0.3
141.09229	0.7
141.12898	0.3
143.10785	0.9
145.16080	0.2
147.04521	0.2
153.09219	1.1
155.10838	1.0
157.12375	1.4
159.04529	0.3
163.03967	0.4
170.51816	0.2
170.70242	0.2
171.10280	12.9
172.10602	0.5
173.11797	0.3
181.05074	0.4
185.11885	1.1
186.12596	1.0
195.17525	0.9
201.11369	0.3
205.16130	0.2
223.17026	0.6
241.18079	0.9
267.16150	0.4
283.22726	0.4
285.17084	1.5
299.22375	0.3
311.22379	1.9
327.21817	1.8
328.22037	0.2
329.23343	100.0
330.23660	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	330.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.4
58.00579	3.4
59.01384	100.0
60.47324	1.2
71.01386	57.6
71.60995	1.9
72.01698	1.8
72.99313	6.8
73.02953	2.1
75.00862	5.1
82.82203	1.3
83.01401	1.7
85.02580	1.2
85.02965	12.2
87.00864	3.3
89.02452	59.5
93.23870	1.2
95.01383	3.8
101.02448	31.6
109.02937	1.6
113.02457	24.6
114.02780	2.1
119.03506	23.9
121.02953	1.7
121.13635	1.4
122.03754	1.9
123.04493	3.8
125.02450	2.3
131.03429	2.2
135.04524	18.2
138.01987	8.3
143.03490	3.4
145.02957	2.1
151.02704	3.3
151.03894	1.4
152.03517	22.5
153.05554	3.3
161.04524	4.3
164.03491	1.8
166.01430	6.7
168.03030	76.2
169.03426	3.0
179.05585	7.4
192.03017	4.8
197.06010	3.4
207.08167	6.4
208.08621	1.4
210.04105	17.7
211.04240	1.8
212.08348	4.8
222.04131	7.1
225.09161	16.8
226.09488	1.6
240.05080	3.7
244.07327	4.4
258.08224	1.5
269.08197	1.7
270.06088	4.0
272.06451	1.7
286.10785	14.0
330.08243	87.1
331.08496	9.3
331.17535	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	329.0217
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	40.5
59.13041	0.5
61.98832	2.0
66.04954	0.4
69.24468	3.4
69.24884	1.5
72.99319	0.6
78.38683	0.5
87.00912	0.7
91.69852	0.5
115.02526	2.0
117.00455	6.5
126.98883	0.9
143.01991	2.3
144.99962	0.7
157.03568	1.3
159.01506	65.1
160.01646	4.5
168.99913	3.7
169.13486	0.5
170.97871	8.3
171.01515	0.7
171.97971	0.8
187.00993	100.0
188.00798	8.8
201.02554	13.2
202.02730	1.4
241.00398	0.6
274.99396	3.9
287.01218	1.1
311.01059	0.9
328.96759	1.3
329.02142	2.3
330.02185	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0878
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
52.83439	0.5
59.01359	0.9
71.01373	1.2
80.02673	0.5
95.01403	0.5
102.95280	0.5
107.89304	0.5
108.02180	59.0
109.02525	1.5
123.00952	0.5
123.04533	27.2
124.04855	1.4
125.02431	0.6
137.02541	0.6
152.01161	41.8
153.01468	1.4
167.03500	100.0
168.03821	4.7
203.58612	0.4
246.95576	0.5
282.08212	0.5
285.09790	0.8
293.45200	0.7
329.08936	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0878
Annotation	Phaseoloidin
Peak:m/z	Relative Intensity
59.01389	4.0
69.97340	1.9
71.01389	6.3
71.18601	0.4
72.99312	0.9
73.02953	1.8
75.00879	1.7
83.01402	1.0
85.02517	0.5
85.02956	2.7
89.02466	1.5
93.03465	1.7
95.01399	0.8
95.05041	3.5
97.02980	0.9
98.20658	0.4
99.00865	0.6
99.61342	0.4
101.02442	3.6
103.89268	0.4
107.05080	1.0
108.02199	0.9
109.02943	1.4
113.02467	2.4
121.02945	1.0
122.03750	1.6
123.04532	100.0
124.01738	0.5
124.04854	4.2
125.02448	1.9
135.04550	0.9
137.02490	0.7
142.76730	0.4
147.04564	0.5
149.02469	1.0
149.06203	0.4
159.03000	0.6
161.04567	2.8
165.05585	2.6
167.03482	3.6
177.05644	0.6
285.09821	17.4
285.12997	0.9
286.10196	1.3
329.08823	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2334
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
57.03441	1.4
59.01379	2.2
61.98838	0.5
69.03445	0.6
69.53440	2.2
69.53850	1.0
71.05017	1.0
75.00895	0.7
76.24037	0.5
84.06887	0.4
85.02990	0.7
97.06584	0.7
99.08163	7.4
101.02442	0.6
109.62262	0.5
125.09726	1.2
127.11318	4.6
130.76088	0.5
133.03000	0.5
137.09732	1.0
139.11298	11.1
140.11604	1.1
142.01321	0.4
153.09248	0.5
155.10843	0.6
157.12398	1.1
163.03984	0.6
167.14384	0.8
171.10283	27.3
172.10606	1.5
183.13948	3.2
191.03645	0.6
193.12332	1.5
209.11931	1.2
211.13391	18.3
212.13715	1.4
217.53586	0.5
229.14478	11.4
230.14775	1.0
260.55414	0.5
293.21216	1.0
306.79254	0.5
311.22293	0.9
329.23349	100.0
330.23697	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	327.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23579	8.7
57.03455	11.4
59.01366	13.6
71.61203	14.6
75.00869	9.1
81.64314	7.3
97.06608	9.3
109.02936	9.9
163.04135	11.2
164.37166	10.4
171.10294	13.4
283.18915	13.0
327.08917	11.1
327.18140	18.8
327.21680	100.0
327.25296	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2177
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03448	3.4
59.01380	1.3
65.83624	0.5
69.03469	2.8
69.45681	4.2
71.01395	1.2
83.05052	1.4
85.02962	9.8
95.05012	1.0
97.02972	1.3
97.06601	4.6
98.20567	1.3
101.88764	0.7
109.02979	0.7
115.61058	0.6
119.08686	0.7
125.09726	1.9
127.11292	2.4
137.09740	3.1
137.55821	0.6
155.10802	1.0
159.75829	0.6
163.59236	0.6
164.52776	0.6
165.12822	0.8
167.14368	0.6
171.10280	25.4
172.10658	1.0
183.13925	4.0
185.11748	1.0
193.12355	1.7
199.13310	0.6
201.11389	0.9
203.10849	0.8
204.18326	0.5
209.11819	1.3
211.13402	17.0
221.11873	2.4
229.14423	11.0
239.12825	1.7
240.83612	0.5
291.19748	4.0
309.20670	1.1
327.21765	100.0
328.22092	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	327.2905
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
50.60534	0.9
59.01382	100.0
60.01697	0.8
60.98582	0.8
66.91871	0.8
70.59415	2.1
75.48043	0.7
76.96886	0.8
82.23699	0.8
85.90904	0.9
86.90371	0.8
116.05681	0.9
176.10516	0.9
185.00783	1.7
234.71146	0.9
235.47662	0.8
274.24084	1.1
276.95081	0.9
327.18649	4.5
327.29037	74.6
328.29431	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	328.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	6.9
61.98833	100.0
64.36127	5.3
73.00633	3.8
73.08450	4.1
73.81013	4.5
97.79239	4.5
162.83678	4.1
266.25708	13.5
328.18369	11.7
328.25739	12.6
331.75101	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00605	1.0
59.01384	34.7
69.42632	5.6
69.43035	1.1
71.01385	17.7
71.11552	0.7
72.99317	4.7
75.00875	5.6
83.01404	1.1
84.33773	0.6
85.02953	2.8
87.00855	1.0
89.02449	16.1
93.03474	6.3
95.01386	2.1
96.99335	1.0
98.19756	0.8
101.02449	11.3
103.05540	1.6
108.02203	1.6
109.02961	22.7
113.02432	7.6
113.05408	0.9
119.03532	8.7
119.05020	13.4
121.02922	1.6
123.04545	2.0
131.05034	1.6
133.02963	3.2
135.04506	2.7
143.03436	1.2
143.05020	5.8
145.02979	1.9
147.04530	100.0
148.04842	4.4
149.06155	1.0
152.01151	2.3
159.04517	6.3
161.02460	14.0
161.06148	0.9
162.02902	0.8
163.04048	4.1
163.05225	0.8
165.05579	15.1
171.04581	3.8
172.05177	1.2
173.06081	4.5
175.03941	1.3
177.91261	0.8
187.04010	0.9
189.05550	1.7
199.03992	2.3
200.04753	1.8
205.05032	1.1
211.07578	1.4
215.74138	0.9
217.05075	16.2
235.07581	1.1
237.04044	2.2
237.09206	3.3
263.07303	1.1
265.08704	5.1
269.08154	1.5
279.06638	1.0
283.06293	1.7
283.09665	2.9
290.67963	0.8
291.06705	1.9
297.07593	0.8
309.07782	7.1
310.08057	1.1
327.08038	6.3
327.11398	44.1
328.11145	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00600	1.9
59.01384	33.5
65.79628	1.3
66.57300	1.4
67.16595	1.7
67.23126	1.5
69.89452	3.8
69.89867	4.8
71.01395	17.0
72.99316	3.9
73.02927	1.6
75.00880	26.8
85.02953	4.9
89.02460	13.8
93.03461	32.4
95.01416	2.6
96.99313	5.6
98.20620	2.0
101.02457	10.4
108.02211	13.5
109.02968	52.2
110.03328	2.0
113.02449	5.9
117.03500	3.9
119.03558	9.3
119.05034	41.1
120.05375	2.1
121.02975	7.0
123.04526	10.4
129.03441	1.5
130.04248	2.4
131.05046	8.7
133.02982	10.4
135.04535	10.1
137.02498	2.9
143.05035	27.9
144.05437	2.2
145.02936	9.8
145.06590	2.7
146.03426	2.4
147.04535	86.1
148.04944	4.5
149.02435	1.6
149.06088	2.1
152.01178	12.7
158.03690	3.1
159.04541	14.3
161.01131	2.3
161.02464	39.2
162.02826	3.4
163.04016	21.2
164.04698	2.2
165.05577	37.7
166.05844	2.7
167.08691	1.5
171.04439	7.3
172.05281	3.6
173.06052	12.0
175.04060	4.3
179.03423	1.7
187.04022	4.9
189.05443	3.3
199.04031	5.1
200.04694	4.2
211.07671	6.6
217.05074	34.7
223.07715	1.9
235.07607	4.6
237.03922	8.1
237.09247	10.8
238.04332	1.7
238.09549	1.8
239.10680	2.1
253.21790	1.4
255.06810	1.9
262.34528	1.6
265.08731	26.7
266.09015	2.2
267.06720	3.2
269.08154	3.5
279.06516	1.5
281.08148	3.1
283.09695	11.9
284.10208	2.2
309.07678	15.0
310.08054	1.9
327.08218	100.0
328.08643	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	326.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
64.75008	0.3
72.36235	0.2
73.83268	0.3
84.08205	0.3
88.69688	0.3
91.29598	0.2
98.19865	0.7
128.10785	0.5
130.08745	100.0
131.09091	3.4
151.11292	1.0
170.45245	0.2
171.43813	0.2
220.44400	0.2
326.19724	35.9
327.19980	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	327.0875
Annotation	Garvin C
Peak:m/z	Relative Intensity
71.35384	1.3
77.47273	0.9
88.42355	0.9
93.03458	19.2
96.99329	2.7
106.04221	2.7
109.02952	3.3
117.03474	1.6
119.05030	97.8
120.05354	4.4
121.02942	2.4
131.05031	3.7
132.05815	2.8
133.02924	2.5
133.06635	1.7
139.45715	1.0
143.05045	11.5
145.03020	1.9
145.06598	4.4
159.04541	1.8
163.04013	70.5
164.04362	4.0
164.20721	0.9
171.04572	1.6
209.06175	1.4
211.07643	3.9
221.09695	2.1
222.06824	1.7
223.07570	1.9
235.07567	2.7
237.09216	10.3
239.10681	4.9
265.08765	9.7
283.09769	35.5
284.10123	4.5
309.07675	3.0
319.33295	1.0
327.08725	100.0
328.09094	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	327.0876
Annotation	2-(4-Hydroxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
69.46416	5.2
69.46809	1.6
70.13180	0.8
78.71553	0.7
80.78126	0.7
91.92366	0.7
92.18190	0.8
93.03457	20.2
93.90000	0.9
96.99313	3.3
98.19846	1.5
109.02944	1.0
117.03471	2.3
119.05035	47.8
120.05381	2.1
121.02967	1.1
123.04549	1.7
130.04268	1.0
131.05020	4.9
132.05814	1.4
133.02928	2.1
143.05035	13.6
144.05362	0.9
145.02953	2.6
145.06619	3.1
159.04399	0.9
163.04030	32.3
164.04388	1.3
171.04575	1.3
193.17239	0.7
209.06055	1.0
211.07684	4.4
221.09651	1.9
222.06772	1.1
223.07758	1.3
235.07713	3.9
237.09210	10.7
239.10847	4.3
263.07248	0.8
265.08667	11.5
266.09009	1.6
283.09763	20.8
284.10098	2.5
309.07706	3.6
327.08737	100.0
328.09000	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2175
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
51.14464	0.4
55.76353	0.4
59.01370	0.4
70.37234	1.2
79.95757	0.5
91.62727	0.4
98.20087	0.5
110.04121	0.4
119.05044	0.5
133.06567	0.7
149.09723	89.8
150.10060	4.8
163.11293	100.0
164.11617	6.3
170.00414	0.6
183.01208	18.3
184.01924	1.9
197.02731	1.1
200.62473	0.4
216.00998	1.2
230.15140	0.4
266.75583	0.4
325.07080	1.1
325.18347	31.7
325.21747	95.4
326.18634	3.6
326.22089	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	326.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.8
68.36034	1.0
71.01401	1.7
72.00920	1.6
75.00877	6.2
84.38810	0.9
84.46192	0.9
88.30275	1.0
93.03474	5.0
98.19845	2.3
100.00424	4.4
106.04228	1.4
107.05044	4.6
108.02188	2.1
109.02966	1.2
117.03471	6.5
119.05035	100.0
120.05428	4.7
121.02986	2.8
123.04530	18.2
132.05873	1.9
133.05362	9.0
134.06136	32.4
135.04558	1.5
135.06503	1.4
136.07716	3.0
145.02968	34.3
146.03311	1.1
146.06128	21.9
147.03372	1.0
147.04535	18.7
149.06155	1.2
162.05612	12.3
163.04022	12.9
163.05298	1.4
163.06000	1.2
174.05618	11.7
175.05928	1.7
176.07202	5.4
180.06665	5.3
188.07361	1.4
206.04596	27.5
207.05017	1.8
208.96648	1.0
223.07594	1.6
237.09215	1.2
242.82373	0.9
265.14462	1.5
282.11353	44.6
283.11771	4.5
326.04504	1.3
326.10425	31.1
327.11069	1.8
327.14578	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	326.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.4
63.76967	0.4
66.91081	0.4
69.38600	3.8
72.00908	3.1
75.00866	2.0
93.03477	3.5
100.00420	8.3
102.88183	0.5
103.52946	0.4
106.06650	1.1
107.05048	4.2
108.02166	0.6
109.02979	1.1
117.02659	0.7
117.03477	10.6
119.05034	100.0
120.05373	3.9
121.02979	2.9
123.04530	8.3
134.06148	1.6
135.04611	0.7
145.02963	46.6
146.03336	2.0
147.04506	1.6
150.05618	1.4
161.02365	0.5
162.05661	0.7
163.04015	20.9
164.04327	0.8
176.07176	0.8
180.06657	10.4
206.04591	41.2
207.04965	2.8
220.06192	0.6
239.10826	0.6
243.06367	0.4
282.11356	1.8
283.09695	0.5
326.10352	3.2
327.05084	0.6
327.08542	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32880	0.9
52.36311	0.7
57.25513	0.9
59.01392	10.0
60.22214	0.9
61.98843	1.0
63.10653	0.8
70.65784	2.5
71.01377	1.0
72.99316	1.9
74.12559	1.0
75.00884	6.9
75.40323	0.8
87.00853	0.9
89.86255	0.9
93.03498	1.3
107.03656	1.8
108.02183	2.4
109.02974	3.9
118.13012	1.1
119.05029	2.4
120.25474	0.7
121.02944	1.9
123.04523	1.2
134.04741	100.0
135.04309	1.0
135.05191	1.7
137.02452	0.9
139.04007	1.7
140.78862	0.9
145.02956	3.2
146.02457	4.1
147.04498	0.9
152.01170	1.4
161.02464	2.1
162.05569	1.0
163.04004	2.4
165.01949	6.1
165.05544	1.3
175.03947	1.1
176.03479	0.8
177.05582	1.1
217.04982	1.0
266.08960	2.2
309.07526	1.3
327.07565	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2022
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
52.56139	1.1
57.03437	4.0
59.01369	3.6
65.22906	0.9
66.39444	0.9
69.03460	1.4
69.34570	7.9
71.01376	5.0
71.05037	2.4
72.02150	1.1
73.02934	1.5
75.00874	2.8
78.88733	0.9
81.03456	2.4
83.05032	6.3
84.02193	2.5
85.02969	2.2
95.05037	2.6
97.06590	3.4
97.07209	1.0
98.20670	1.8
99.04556	1.2
99.08160	3.8
105.28980	1.1
109.02950	1.1
109.06574	1.8
112.05296	2.6
115.07645	4.5
116.00161	0.9
117.48682	1.0
121.02930	1.3
125.02464	2.1
125.06087	1.6
125.09718	7.3
127.07668	15.5
135.08182	2.6
137.09712	2.2
139.07687	5.1
145.03030	1.4
146.27524	1.0
153.09224	17.3
153.12744	1.2
155.10800	3.4
163.11311	4.3
165.12971	2.3
171.10277	15.0
178.10005	4.6
181.12396	1.5
185.11864	17.3
191.10774	2.0
197.11856	17.6
198.12186	1.8
207.10327	1.7
209.11847	76.1
210.12190	4.9
211.13425	1.5
236.10628	1.2
237.18530	1.9
238.12140	7.9
239.16661	1.5
245.19125	3.0
256.13083	3.2
263.20276	1.6
265.18152	1.3
279.19669	1.5
281.21115	1.6
289.18076	10.3
307.19153	100.0
308.19495	9.4
325.07349	3.6
325.16751	3.5
325.20227	44.6
326.20505	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	325.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58159	0.2
56.73965	0.2
67.98038	0.2
69.64687	0.2
79.95696	1.4
115.36755	0.2
119.05032	1.9
126.46388	0.2
136.53468	0.2
157.66797	0.3
170.00459	1.4
183.01208	56.4
184.01848	3.5
192.39046	0.2
197.02773	3.5
198.03438	0.6
199.90414	0.2
201.99608	0.2
211.04301	0.4
216.00948	1.3
225.05850	0.7
230.02522	0.5
239.07541	1.0
261.22098	0.3
276.82599	0.3
325.18417	100.0
326.18732	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	325.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84763	0.7
59.01384	100.0
60.01723	1.3
71.01392	5.1
71.60301	0.8
71.60661	0.9
71.84041	0.7
73.02946	1.0
75.00884	5.4
75.06378	0.6
79.05702	0.7
85.02956	2.0
89.02471	1.6
99.00916	1.0
101.02451	5.2
113.02489	1.3
119.05032	6.5
121.02968	0.8
125.02496	0.7
135.04568	0.9
160.52925	0.6
161.02455	0.9
161.04601	5.5
161.05928	1.1
163.00510	0.7
163.03999	3.4
164.07230	1.9
177.01976	0.8
178.70213	0.7
191.03552	1.1
195.54459	0.7
265.12900	8.5
265.15076	0.7
325.14188	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74036	1.1
55.18601	1.3
57.03445	1.7
58.67913	1.1
59.01389	2.0
69.03457	1.8
71.05014	5.1
73.02962	12.4
75.00888	2.6
78.95920	2.1
83.05050	1.6
85.06606	6.4
93.03465	1.6
95.05060	1.3
96.41795	1.2
97.02949	2.7
97.06592	5.0
98.20670	2.8
99.08166	14.9
107.05045	3.3
107.08694	5.9
110.03794	2.3
115.04008	5.2
119.05025	1.9
121.02852	1.2
123.04506	2.3
125.06089	40.5
125.09704	3.0
126.06435	1.9
131.08618	1.4
133.06575	1.7
135.08162	2.7
141.05617	1.6
141.33035	1.2
143.07150	39.5
144.07495	2.1
149.09711	1.5
150.03207	2.1
151.04021	5.6
151.07661	5.4
156.04263	2.5
159.11807	2.3
168.04286	3.6
169.05078	5.5
175.11292	1.7
185.93494	1.2
187.06137	3.7
187.11292	14.0
205.10722	1.7
205.12364	15.6
219.13847	4.8
231.10297	11.2
249.11305	8.5
263.12875	39.9
264.13223	4.4
275.09357	2.0
281.07993	1.7
281.14047	5.7
289.10822	1.6
291.83566	1.2
293.10324	6.5
307.11884	32.9
308.12213	4.7
325.12967	100.0
326.13339	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	325.0931
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
51.39983	0.4
53.97842	0.4
59.01383	0.9
70.76180	1.1
71.01386	0.6
89.02467	0.6
93.03490	0.5
101.02454	0.5
117.03496	0.6
119.05036	100.0
120.05366	4.6
133.25597	0.4
145.02942	1.2
163.04021	71.6
164.04372	3.1
325.09439	0.6
345.77911	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1293
Annotation	(+)-Macrosphelide C
Peak:m/z	Relative Intensity
55.01858	1.0
57.03442	2.0
62.70734	0.7
67.01911	1.1
69.03468	1.4
69.63297	3.8
71.01402	1.7
71.05016	3.4
73.02950	10.6
77.49032	0.8
83.05022	1.5
85.06602	7.4
95.05063	1.0
97.02956	2.0
97.06591	5.7
98.20817	0.9
98.86304	0.9
99.08160	15.1
101.88681	0.7
102.36824	0.7
107.05021	3.0
107.08699	4.1
108.29369	0.8
109.02969	1.0
110.03733	2.5
111.04498	1.9
113.02445	1.9
115.04008	6.1
121.06596	1.0
123.04518	2.0
125.06094	37.1
125.09736	2.6
126.06442	1.0
131.08730	0.8
133.06552	1.0
135.08171	2.9
141.05626	1.3
143.07149	37.1
144.07489	1.7
149.09731	2.1
150.03265	1.8
151.04016	4.9
151.07655	4.3
156.04221	2.0
159.08131	1.2
159.11766	1.7
168.04271	4.7
169.05101	5.8
177.05554	1.3
185.04518	0.9
186.05351	0.8
187.06085	3.3
187.11272	11.8
203.10719	1.0
205.12328	14.1
206.12624	1.7
219.13884	4.8
231.10258	11.9
232.10570	1.0
237.14992	1.4
245.11671	1.0
249.11285	9.2
263.12894	36.2
264.13260	2.6
275.09262	1.3
281.13934	6.7
281.17169	1.4
289.10886	2.7
293.10294	7.1
307.11887	33.6
308.12213	2.5
325.12933	100.0
326.13257	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0931
Annotation	CHEBI:76092
Peak:m/z	Relative Intensity
52.48653	0.3
55.26655	0.3
59.01383	5.0
64.38259	0.3
69.91286	0.3
70.30734	0.5
70.31131	0.5
71.01389	3.2
72.18612	0.3
72.99330	0.3
75.00876	3.7
79.05338	0.3
85.02962	0.8
87.00847	0.2
89.02448	2.4
93.03468	1.2
98.20665	0.3
101.02453	0.9
106.07993	0.3
109.02975	0.3
113.02453	1.1
117.03474	19.1
118.03793	0.7
119.03521	0.8
119.05035	5.6
120.05355	0.3
133.06561	0.6
134.81470	0.3
135.04570	0.4
137.02483	1.1
144.29860	0.3
145.02960	100.0
146.03307	4.7
150.12262	0.3
159.04501	0.9
161.02461	0.6
161.06081	1.3
162.44580	0.3
163.04016	8.3
164.04356	0.6
173.05937	0.3
175.04025	0.5
187.04022	4.5
188.04402	0.3
203.03467	0.3
205.05087	1.4
206.01448	0.9
235.05995	0.5
253.05258	0.3
264.24594	0.3
265.07132	1.5
279.03091	0.7
279.06213	0.4
281.08206	1.2
325.09711	4.8
326.09222	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04297	0.4
57.03445	1.9
58.10702	0.4
59.01395	3.2
61.52597	0.5
61.98843	0.7
69.03455	1.3
77.93009	0.5
80.77114	0.5
85.37547	0.4
86.02774	0.4
87.23889	0.5
93.03432	0.9
96.96014	2.3
116.45528	0.5
119.05070	0.7
127.11320	0.6
177.24101	0.5
191.38756	0.5
195.17589	2.4
202.56070	0.5
209.19148	0.7
211.20657	0.6
221.19077	0.7
223.17207	1.1
235.20628	1.5
237.18681	0.9
239.20164	7.9
240.20430	0.6
251.23801	0.9
261.22314	1.5
263.20148	2.3
277.21689	1.8
279.23294	43.6
280.23648	4.3
281.21213	6.0
282.21582	0.8
302.65582	0.5
323.22281	100.0
324.22626	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2229
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
50.95384	0.6
58.89997	0.7
59.01382	4.0
69.91245	3.5
80.61501	0.6
89.47461	0.6
96.96009	1.3
98.19898	0.7
98.20457	1.7
104.70114	0.7
119.05061	0.9
123.04501	1.2
137.06093	1.4
156.04239	0.6
165.09238	2.0
165.12859	1.8
168.79510	0.6
171.02081	0.7
179.14522	0.7
189.12837	0.9
193.30331	0.6
225.14835	0.7
237.14931	2.4
261.22180	4.5
279.23416	0.7
287.20145	0.7
291.19644	0.9
305.21225	100.0
306.21594	12.8
323.18701	0.9
323.22256	20.9
324.22653	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	323.1864
Annotation	Marrulanic acid
Peak:m/z	Relative Intensity
59.01389	10.6
61.98839	2.1
71.61387	2.6
96.96020	7.2
101.80219	2.1
105.55631	1.8
108.94265	2.1
119.05053	2.3
119.20115	1.9
168.73526	2.0
179.14413	2.7
181.16000	7.4
190.12817	2.1
205.16022	21.9
211.24818	2.3
223.17079	2.8
225.14975	2.6
237.15048	3.8
237.18671	5.3
247.17026	48.5
248.17355	4.2
251.20183	2.2
279.19638	52.1
280.20023	4.5
281.17618	3.3
282.20770	1.9
321.77164	2.0
323.18692	100.0
323.22131	6.7
324.19064	11.8
342.94186	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1866
Annotation	Marrulanic acid
Peak:m/z	Relative Intensity
59.01390	11.4
68.99814	3.2
71.05010	5.1
71.31976	3.1
71.32294	2.4
75.00863	2.4
80.46664	2.0
81.03422	3.2
81.05303	2.0
83.01379	2.4
83.05035	9.4
96.96015	8.6
97.06587	4.4
107.05036	14.3
109.06632	2.8
115.07601	2.4
119.05000	3.6
121.02927	2.7
122.03710	2.3
123.04511	3.6
125.02439	4.2
125.06095	5.0
125.09726	10.1
127.04057	2.0
135.04491	2.4
135.08174	7.9
151.07654	2.9
153.09242	12.2
163.11278	5.8
165.09126	2.1
165.12811	5.7
175.04070	2.5
176.08427	4.0
178.09933	3.4
181.48225	2.1
185.11775	3.4
195.15839	1.9
195.17569	6.5
197.11769	12.4
207.10295	9.8
209.11835	100.0
210.01460	2.2
210.12189	6.5
225.11272	6.0
236.10432	2.9
237.14926	5.2
237.18623	11.6
243.17532	4.3
253.10786	2.2
261.18552	4.7
279.19662	28.0
287.16736	9.7
305.17557	89.8
305.21198	45.1
306.17966	9.3
306.21478	5.3
323.05630	2.8
323.15170	5.6
323.18625	42.6
323.22324	12.6
324.18945	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	323.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25751	0.5
57.03447	0.8
59.01385	3.3
61.98838	0.6
69.03445	1.0
69.29691	4.9
71.01395	0.7
72.64438	0.5
83.05029	1.3
87.00889	0.6
95.05028	0.7
96.96019	0.7
97.06594	0.9
98.20569	1.2
108.05791	0.6
119.05015	0.8
122.08438	0.6
141.14940	0.5
209.19080	2.0
211.20692	0.8
237.14975	0.6
237.18607	2.0
239.20169	8.0
240.20538	0.6
249.22165	1.5
251.23755	3.9
252.24158	0.6
259.20743	1.1
261.22256	2.0
277.21671	2.8
279.23282	47.3
280.23621	5.1
281.21240	6.9
282.21603	1.0
309.97528	0.5
323.22269	100.0
324.22601	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	323.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	5.4
59.01381	3.4
70.38079	0.5
71.26302	0.9
83.01391	5.4
83.05018	0.7
89.47053	0.4
120.16991	0.4
126.70046	0.5
195.17545	20.4
196.17924	1.4
209.15430	3.0
214.90526	0.5
219.17560	2.5
221.15466	2.1
231.54872	0.4
235.20668	5.1
237.18605	41.6
238.18898	3.1
239.16553	2.8
251.20235	2.3
255.19653	8.6
256.19995	1.0
261.18677	3.1
279.19662	77.5
280.19971	7.4
305.17383	0.9
311.13449	0.5
323.18637	100.0
324.18979	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	323.1865
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.65197	0.4
57.03452	13.6
57.78067	0.5
59.01379	3.6
59.93623	0.4
60.03717	0.4
65.00329	17.6
71.32726	0.9
72.58274	0.6
81.03458	3.4
83.01389	7.8
96.96014	1.8
119.04976	0.6
122.03738	1.4
123.04488	1.1
125.02453	100.0
126.02782	3.9
130.67036	0.5
142.81142	0.5
145.02940	0.6
153.09308	0.5
209.11777	1.1
211.17056	2.5
213.18617	2.7
220.56178	0.5
237.15022	0.6
237.18610	1.8
239.16609	0.7
243.83928	0.5
246.41252	0.5
279.19647	11.7
280.19965	1.2
281.14569	0.5
281.17657	1.9
305.17654	1.2
308.22922	0.5
323.05728	0.6
323.15494	1.6
323.18646	38.8
324.19031	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16956	3.2
55.01888	13.7
55.26541	3.3
57.03472	3.1
59.01385	5.5
67.01911	5.2
69.03466	5.9
70.00832	12.2
71.01364	2.9
71.05019	4.2
73.02954	10.1
75.00883	5.4
81.03445	4.5
82.67342	2.5
83.05025	29.1
85.06601	4.9
87.04530	3.0
93.03474	5.3
95.05038	13.1
97.06605	62.4
98.03976	2.6
99.08177	8.8
107.05040	8.5
109.03000	3.3
113.02506	5.0
119.05036	12.8
121.02986	8.9
121.06580	9.3
123.04562	5.3
123.08176	21.7
125.06099	7.4
129.05609	7.0
131.05009	4.9
133.06599	10.8
135.08189	13.4
141.05585	9.5
145.02977	4.2
147.08206	4.2
149.06085	10.5
151.07712	5.6
155.08723	5.3
157.10185	7.2
159.11734	4.6
161.06131	4.9
161.09724	16.4
165.09200	10.4
171.08289	4.8
173.09785	4.2
175.07664	4.2
175.11308	7.2
178.06386	7.9
185.09741	13.2
190.06358	2.9
193.08716	92.1
194.09061	6.8
201.09218	8.5
203.10806	78.1
204.11145	8.4
215.10777	4.3
217.12352	33.7
229.08635	2.9
233.11888	7.1
235.13405	99.8
235.15781	4.9
236.13779	8.5
247.09753	67.0
248.10062	5.5
261.08539	5.5
261.11322	100.0
262.11642	8.7
279.12396	70.2
280.12778	5.4
305.10129	4.1
323.05441	6.0
323.11438	31.5
323.18597	5.2
324.11633	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	323.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34973	0.7
54.16313	0.7
57.25211	0.7
59.01385	100.0
60.01720	1.2
64.64395	0.7
69.35583	6.2
71.01379	7.2
72.32367	0.7
85.02955	1.6
89.02448	7.1
101.02454	5.2
113.02396	3.5
119.03529	3.1
143.03610	1.2
161.04599	1.2
175.04085	2.2
179.05675	1.0
187.65822	0.9
263.11444	1.3
323.13477	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	323.0926
Annotation	7-Acetoxy-2'-methoxy-8-methylisoflavone
Peak:m/z	Relative Intensity
52.53384	0.7
53.04990	0.7
53.32166	0.8
58.00565	0.9
59.01382	17.6
71.01388	7.6
71.51855	1.5
72.99268	0.8
73.02945	1.0
75.00877	10.7
75.95519	0.7
78.54629	0.7
85.02953	1.3
89.02458	7.6
93.03469	32.1
95.01376	0.8
99.00904	0.9
101.02431	4.8
113.02444	1.7
117.03497	5.8
119.03534	3.2
119.05035	20.3
121.02937	1.6
123.04549	1.0
124.84663	0.8
126.59343	0.7
129.03473	2.5
131.05093	1.5
132.05779	0.9
133.02934	2.2
143.05040	2.4
143.07115	1.2
145.02971	14.8
145.06627	8.0
147.04532	23.7
157.02913	1.5
159.04520	3.6
161.02475	10.0
161.06046	1.4
162.02776	1.1
171.04573	4.5
173.06100	9.3
175.04016	100.0
176.04355	7.6
177.05612	2.2
185.02455	21.6
185.06065	12.7
186.02786	1.2
186.06389	1.1
189.05574	5.3
217.05060	19.1
218.05304	0.9
223.07578	2.8
235.07607	0.9
237.09198	4.7
251.07082	1.2
251.11040	1.3
261.03918	1.0
261.09210	2.2
263.07199	1.3
267.09970	0.8
279.07132	1.4
279.10260	16.6
280.10687	2.6
281.08170	2.3
295.09680	1.0
323.05627	1.5
323.09235	12.6
323.13458	13.3
324.09515	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	25.3
59.61262	0.2
60.01725	0.4
69.59400	0.5
69.59811	0.9
75.00851	0.4
82.45849	0.2
83.52763	0.2
91.05540	0.3
92.85654	0.2
93.03445	1.3
97.27641	0.2
98.19842	0.2
102.57396	0.2
117.03469	0.5
119.05035	100.0
120.05373	4.2
132.62061	0.2
153.88562	0.2
199.31116	0.3
208.32014	0.2
251.07132	0.7
279.06686	0.4
323.05664	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26558	0.2
59.01374	0.5
93.03457	1.1
98.20718	0.5
119.05032	100.0
120.05374	4.7
140.42647	0.2
229.29283	0.2
349.47311	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61020	0.8
54.08841	0.8
55.15816	0.9
57.03443	4.1
59.01396	4.2
69.03465	1.4
70.21831	2.8
73.16856	0.9
81.03468	4.1
83.01389	2.3
83.05010	1.0
84.14559	1.0
99.92599	2.0
115.92091	1.4
116.92870	2.9
147.04546	1.4
165.09666	0.8
195.17548	57.1
196.17906	4.7
235.20680	57.2
236.21059	4.5
237.18608	3.3
259.20483	1.1
277.21729	27.7
278.22153	1.9
279.19644	4.5
321.20706	100.0
322.21072	10.3
337.95636	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2436
Annotation	(3R,4R,7R,8R,12R)-ent-3,4:7,8-Diepoxyverticillan-12-ol
Peak:m/z	Relative Intensity
52.94970	2.2
57.03453	3.2
59.01389	15.2
71.01418	4.4
71.61623	2.7
71.62029	3.7
72.99324	2.2
78.95921	17.2
80.96526	58.2
99.92596	19.2
113.09760	4.8
115.92107	10.8
116.92883	26.3
144.58533	2.4
147.04547	6.1
209.09488	2.6
221.15486	94.0
222.15865	8.8
259.24271	5.6
303.23312	96.7
304.23666	14.8
321.13919	4.7
321.17511	11.5
321.20981	6.1
321.24463	100.0
322.24692	8.8
342.25824	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.6
56.77565	0.5
57.03424	0.7
58.00585	2.2
59.01384	39.5
60.01692	0.9
62.03887	0.4
65.73438	0.6
71.01389	23.0
72.99305	2.1
73.02943	1.5
75.00876	5.8
83.01404	2.6
85.02956	4.6
87.00906	1.1
88.18704	0.4
89.02452	18.0
90.02776	0.4
93.03478	1.0
95.01371	2.1
95.14074	0.5
98.41597	0.5
99.00902	1.1
99.92636	0.6
101.02458	14.4
109.02972	1.9
113.02460	8.5
113.09718	1.8
117.03452	0.7
119.03517	7.0
119.05019	1.2
121.02962	0.5
129.24396	0.5
133.06567	0.8
141.09219	8.7
145.02980	1.9
147.04462	0.6
149.06105	0.8
159.10263	11.7
161.06206	0.6
175.02493	0.8
177.05589	1.2
208.99199	0.5
215.07101	1.1
221.04570	1.8
237.11378	0.7
245.08229	0.8
261.04080	0.9
262.07117	0.9
321.15555	100.0
322.09357	0.5
322.15906	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	321.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.6
56.77565	0.5
57.03424	0.7
58.00585	2.2
59.01384	39.5
60.01692	0.9
62.03887	0.4
65.73438	0.6
71.01389	23.0
72.99305	2.1
73.02943	1.5
75.00876	5.8
83.01404	2.6
85.02956	4.6
87.00906	1.1
88.18704	0.4
89.02452	18.0
90.02776	0.4
93.03478	1.0
95.01371	2.1
95.14074	0.5
98.41597	0.5
99.00902	1.1
99.92636	0.6
101.02458	14.4
109.02972	1.9
113.02460	8.5
113.09718	1.8
117.03452	0.7
119.03517	7.0
119.05019	1.2
121.02962	0.5
129.24396	0.5
133.06567	0.8
141.09219	8.7
145.02980	1.9
147.04462	0.6
149.06105	0.8
159.10263	11.7
161.06206	0.6
175.02493	0.8
177.05589	1.2
208.99199	0.5
215.07101	1.1
221.04570	1.8
237.11378	0.7
245.08229	0.8
261.04080	0.9
262.07117	0.9
321.15555	100.0
322.09357	0.5
322.15906	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2279
Annotation	15R-HETE
Peak:m/z	Relative Intensity
50.05425	1.6
57.03445	5.6
59.01387	33.5
68.14754	1.7
71.01376	2.8
71.32050	3.2
73.49269	1.8
75.00874	3.7
83.05025	3.0
99.08163	5.6
107.08690	3.5
113.09737	23.0
121.10251	14.1
133.10252	2.0
135.77052	1.7
139.11259	4.3
141.31715	2.0
147.11807	2.3
149.13368	2.4
175.14914	40.0
178.99298	2.0
202.46181	1.7
203.18004	10.6
219.13919	61.1
220.14182	3.9
221.15439	2.5
230.99425	2.0
257.22787	43.4
258.23117	3.6
271.20645	2.7
275.23874	4.4
276.24081	2.2
301.21747	69.2
302.22131	9.4
319.22791	100.0
320.23181	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	321.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87676	0.4
59.01385	0.7
65.98128	0.4
71.01383	3.3
75.00876	3.5
79.82648	0.4
85.63046	0.4
91.05545	1.7
92.71175	0.4
93.03449	1.4
95.04990	0.4
97.06573	2.7
98.20739	1.1
100.96838	0.4
103.05535	0.4
105.03479	0.5
107.05042	2.2
107.72528	0.4
108.02182	19.4
109.02981	7.1
117.03465	1.7
119.05030	4.5
121.02129	0.9
121.02957	11.9
124.01631	0.5
129.03468	1.9
133.02950	1.1
134.03741	3.3
135.04533	35.3
136.04919	1.1
137.02417	0.7
137.09735	0.8
145.02956	6.1
147.04533	13.1
148.01620	0.5
148.05350	2.9
149.02429	0.5
150.03215	1.1
151.04019	0.8
161.02412	1.8
162.03268	2.8
163.04018	31.7
164.04349	1.2
173.02448	6.6
174.03148	1.1
177.09229	0.5
191.03506	100.0
192.04242	18.7
193.04721	1.4
205.08711	2.1
214.21581	0.5
217.12424	0.6
217.16026	0.8
230.14717	0.7
271.09726	0.5
282.68524	0.4
289.10788	2.3
321.13608	0.8
321.17114	1.0
321.20602	0.6
322.08252	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2279
Annotation	19S-HETE
Peak:m/z	Relative Intensity
57.03452	8.7
57.41639	1.4
59.01381	5.5
80.96528	1.8
95.97009	1.6
97.06596	1.5
101.86375	1.6
113.09738	34.3
124.56951	1.6
139.11284	10.0
146.38260	1.3
153.99844	1.3
159.52356	1.4
165.07785	1.5
177.16557	1.8
193.12357	3.0
205.12312	4.2
221.15479	5.5
275.23782	5.4
319.22781	100.0
320.23224	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	319.2278
Annotation	(plusmn)12-HETE
Peak:m/z	Relative Intensity
53.64862	2.1
59.01385	32.7
69.03456	7.7
83.05042	3.6
88.33972	2.2
91.33773	2.8
98.20621	7.7
107.08680	6.2
127.18488	2.2
135.11818	12.6
139.11272	8.6
153.12845	2.2
155.07101	2.6
163.11270	17.6
163.14908	2.8
169.15277	2.1
179.10789	75.2
180.11220	4.1
189.16544	2.2
203.18013	7.7
207.08459	2.5
207.10190	10.6
208.10953	4.3
221.12492	2.1
229.95010	2.3
240.10051	5.2
246.09236	2.3
257.22733	26.5
258.22974	2.8
275.23901	3.1
301.21735	34.8
302.22089	3.7
319.19659	3.9
319.22751	100.0
320.23096	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	319.1547
Annotation	Debromohamigeran E
Peak:m/z	Relative Intensity
57.03444	3.0
59.01422	1.8
63.99538	0.6
64.57074	0.7
65.00321	3.2
69.44765	3.7
69.45175	1.2
71.07808	0.6
75.00925	1.3
79.05562	1.0
81.03458	6.6
83.01389	8.2
83.05083	1.6
95.05053	0.7
101.02485	0.9
102.46922	0.5
106.04289	0.8
109.06612	0.7
120.05878	0.6
121.06665	0.7
122.03782	2.0
123.04517	3.7
125.02454	18.8
133.06657	2.6
135.04582	2.4
136.05461	0.7
145.06635	1.5
146.07458	0.8
147.08203	0.5
165.12936	0.6
167.14423	14.7
168.14743	0.7
186.90405	0.6
189.16525	1.3
191.14427	24.8
192.14749	1.5
193.15051	0.7
205.15895	1.0
207.17505	1.1
209.15488	2.6
215.14546	0.7
220.26651	0.6
231.17542	27.9
232.17888	2.9
233.15483	38.6
233.17931	1.7
234.15823	3.2
251.16513	5.9
257.15393	1.0
275.16528	100.0
276.16867	10.2
277.14468	1.7
283.65707	0.6
301.14301	0.6
319.15472	83.0
319.18579	5.0
320.15820	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.14
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
55.01891	3.0
57.03447	6.0
58.00591	3.5
59.01384	96.9
60.01699	1.5
65.24139	1.5
69.03462	1.9
71.01385	70.2
71.05018	4.1
71.60823	1.8
71.61215	1.6
71.67731	1.3
72.99300	7.1
73.02957	13.0
73.44257	1.3
75.00877	100.0
76.01224	2.3
81.03503	2.3
83.01384	10.0
83.05039	4.9
85.02965	26.5
87.00851	3.6
89.02451	51.0
89.02999	2.9
93.03463	12.8
95.01405	5.0
95.05013	1.8
99.00895	4.8
101.02448	50.7
101.60903	1.5
109.02971	7.6
111.00881	2.1
111.04533	20.1
112.04109	1.5
113.02457	29.9
116.05067	2.6
117.03474	1.9
118.06638	12.5
119.03514	23.1
119.05006	9.3
121.02973	6.9
123.04516	1.7
125.02459	2.5
131.03510	1.8
133.02969	6.3
135.04536	4.7
139.03995	2.2
139.07671	7.6
143.03519	3.3
145.02965	7.1
147.04539	4.8
148.03960	1.9
149.04619	2.9
151.04041	2.6
155.03519	4.8
157.08710	10.5
159.02962	2.8
159.04559	2.6
161.02473	13.1
161.04541	8.7
162.02724	2.0
163.04033	3.0
164.07156	6.0
169.51884	1.4
171.08153	1.6
173.02483	2.2
174.03128	1.8
175.03979	2.6
178.05038	2.5
179.03499	1.6
179.05548	3.8
182.95438	1.4
185.02438	9.7
186.03050	2.8
187.04037	2.2
195.08089	2.7
202.08751	3.5
215.07138	10.0
222.09236	10.1
237.05794	1.6
240.10303	3.1
243.06630	2.8
249.05627	2.0
253.05026	2.9
255.06682	3.4
261.05554	2.8
265.05081	4.0
266.05701	2.0
267.06677	4.6
275.09537	1.6
275.15033	7.2
277.05185	5.7
279.06531	2.8
295.06088	2.7
301.05051	2.8
307.06216	3.8
319.05707	11.7
319.14008	82.4
320.07520	3.0
320.11334	36.6
320.14404	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0308
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39147	0.3
56.41621	0.3
59.01384	4.8
61.98832	1.4
64.11789	0.3
71.01382	2.2
71.60389	0.5
72.99312	100.0
73.02955	0.9
73.99642	0.9
75.00877	3.4
79.64147	0.3
82.96123	0.6
83.01397	0.5
83.05031	0.5
85.02957	0.8
89.02442	1.0
93.03465	1.3
95.05014	0.7
95.55582	0.3
96.23952	0.3
97.02953	0.3
99.19716	0.3
101.02457	1.4
104.12939	0.3
109.02944	0.8
111.00874	0.5
111.04509	0.9
113.02470	0.9
114.98874	2.1
117.00426	0.7
117.03468	2.9
119.03520	0.8
119.04234	0.7
119.05032	10.2
121.02956	0.5
130.04265	0.5
130.96626	0.5
131.05037	0.7
132.99121	0.6
133.02975	0.8
135.04494	0.7
139.00372	0.5
139.04018	1.1
145.02966	3.4
147.04561	0.5
156.99956	2.9
157.05098	0.5
158.03723	0.7
159.04514	2.3
161.02432	1.5
163.04022	6.1
164.04388	0.5
169.96921	0.3
172.97748	0.4
172.99445	0.4
173.00896	0.6
175.02492	0.8
175.04015	1.0
176.98109	14.0
177.04099	1.5
177.98201	1.1
179.03372	0.4
187.02522	0.5
190.98694	0.8
191.00317	0.4
191.01974	1.0
193.06453	0.4
201.00461	1.6
203.02000	2.9
203.03670	0.6
204.02309	0.4
213.09088	0.3
215.01920	0.9
217.00047	0.4
217.03566	0.8
218.00667	0.3
219.01422	0.4
219.05128	1.5
220.05370	0.3
221.03008	0.7
225.57680	0.3
227.87349	0.4
231.01451	0.7
233.01320	0.8
234.99275	0.7
243.01485	1.4
245.03011	4.5
247.04677	0.6
248.97012	0.5
257.03082	0.5
259.00974	2.1
261.02655	0.6
263.04132	6.5
264.04327	0.8
265.05551	0.5
273.02536	0.9
275.01974	0.5
279.02917	0.3
291.00467	0.4
319.03003	11.2
319.08173	0.8
319.11179	0.5
320.03259	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02692	0.5
57.03419	0.5
59.01393	2.8
70.62871	1.1
70.63216	0.6
71.01373	1.4
89.02441	1.0
91.04013	1.2
98.19976	0.5
101.02448	1.1
113.02441	0.7
135.04546	0.7
139.33466	0.6
158.70570	0.6
181.15984	47.9
182.16319	3.2
199.16945	1.3
212.70538	0.5
225.14967	76.6
226.15300	5.4
243.16011	100.0
244.16335	8.1
254.45734	0.5
273.11316	6.0
274.11823	1.1
275.09354	0.8
286.80942	0.5
299.20117	1.0
316.99304	1.9
317.10370	4.0
317.19513	32.9
318.19846	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	317.197
Annotation	oscr#16
Peak:m/z	Relative Intensity
55.01872	4.4
57.03441	3.7
58.00587	1.8
59.01383	28.0
69.68707	1.0
69.69061	6.1
71.01385	53.0
72.99316	2.3
73.02949	16.2
75.00862	0.9
83.01387	8.2
85.02956	24.5
87.00863	1.8
89.02455	10.3
95.01383	2.9
98.20612	1.3
99.00888	7.7
101.02448	40.0
108.95298	1.0
110.79164	0.9
111.00890	1.5
113.02456	20.5
119.03488	4.0
125.02392	1.3
135.04526	1.6
143.03513	2.1
159.02956	3.3
161.04523	10.1
181.15984	45.9
182.16286	3.3
199.17044	1.3
222.52837	0.9
225.14964	80.2
226.15344	6.2
243.16011	100.0
244.16374	7.8
316.99634	1.6
317.19702	34.9
318.20035	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	317.2121
Annotation	Eoxin A4
Peak:m/z	Relative Intensity
57.03450	16.5
59.01380	10.4
64.04833	1.1
70.18591	3.9
71.03758	1.1
85.06578	1.7
93.07071	2.4
97.06572	4.9
103.05410	1.2
107.08649	4.8
113.09730	100.0
114.10026	3.1
118.90189	1.4
121.10221	4.7
133.10208	1.4
135.04509	1.5
139.10321	2.0
139.11292	26.5
140.91867	1.2
147.11830	8.7
150.57834	1.1
153.12943	1.8
165.12862	11.7
166.13139	1.8
175.14925	2.2
177.09160	2.3
191.14473	2.6
203.10724	3.3
219.13914	5.5
221.64578	1.4
243.11435	1.3
273.18793	2.8
273.22217	28.4
274.22540	3.6
299.20172	1.8
316.99466	1.4
317.17712	3.0
317.21176	52.0
318.21603	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	317.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66678	0.5
57.03408	1.0
59.01324	30.8
59.01652	2.4
66.38001	0.5
70.93460	1.1
73.02916	0.6
73.48060	0.4
75.40381	0.5
80.96519	2.7
85.79355	0.5
94.98065	0.5
106.98069	0.6
128.22157	0.5
135.04446	0.8
136.07582	0.6
138.29495	0.5
150.20049	0.5
155.39232	0.5
165.12650	0.5
167.14430	7.5
181.15985	12.9
182.16293	0.8
183.12376	0.7
183.13910	9.3
184.14125	0.5
197.15494	6.8
198.15793	0.7
199.17126	0.9
211.17058	0.7
213.18538	1.6
225.00722	0.6
225.14903	0.5
229.18068	4.4
243.12346	0.9
257.17593	20.2
258.17993	1.7
275.18640	100.0
276.18979	9.0
316.99310	0.5
317.05545	4.4
317.09055	0.7
317.19742	28.6
318.19995	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	317.1756
Annotation	17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate
Peak:m/z	Relative Intensity
57.03449	7.7
59.01389	2.0
65.00328	2.9
69.03448	0.4
69.75551	1.4
71.01367	0.2
72.33637	0.2
74.22520	0.2
75.73241	0.2
79.05553	1.1
80.02676	0.3
81.03459	8.0
83.01394	7.4
83.05032	2.2
93.03461	0.6
93.07096	0.3
95.05048	0.6
97.06602	1.2
97.14290	0.2
99.04552	0.4
99.08138	0.5
105.03447	0.3
106.04218	0.7
107.05051	0.4
108.02201	0.3
109.02971	0.4
109.06583	0.6
111.08171	0.5
116.34344	0.2
119.05038	0.6
120.05810	0.6
121.02976	0.5
121.06606	2.2
122.03729	0.9
122.77328	0.2
123.04527	11.9
123.08180	0.4
124.01675	0.3
124.04835	0.5
125.02386	0.2
125.09785	0.3
132.05815	0.6
133.06604	4.5
134.03760	0.3
135.04527	3.3
135.08133	0.6
137.02434	0.7
137.09692	0.4
139.11224	0.3
145.06601	1.3
146.07364	1.0
147.04494	1.1
147.08127	1.3
149.02432	0.6
151.04019	0.5
151.11313	0.3
159.04494	0.5
161.02386	0.3
161.06018	0.3
162.03271	0.3
162.06967	0.2
167.14417	2.2
173.05977	0.3
175.07596	0.4
175.11359	0.3
178.06349	0.3
187.07645	0.3
189.12929	0.7
189.16534	2.6
191.14417	22.6
192.14743	1.4
199.40767	0.2
203.14384	1.0
205.15952	0.3
207.17534	11.9
208.17816	1.1
215.14314	1.5
221.11786	0.4
229.16011	0.9
231.17532	53.9
232.17883	5.1
233.15468	7.3
234.15764	0.7
243.19667	1.3
245.15324	0.4
245.19112	5.2
249.18591	4.8
250.18886	0.4
255.17548	1.4
257.15475	1.4
271.16992	0.3
273.18600	59.6
274.18958	6.6
275.16513	21.0
276.16821	1.9
289.18164	0.4
299.16559	2.8
300.16791	0.4
317.17569	100.0
318.14136	0.6
318.17902	11.2
324.63727	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.1
59.30067	1.0
69.36332	8.9
71.01367	2.2
72.99310	90.8
75.00879	4.5
80.96512	5.8
93.03471	2.6
94.06657	1.0
95.05038	2.6
101.02441	0.9
104.05022	1.0
107.03798	1.5
109.02931	1.5
110.06123	5.2
113.02439	1.1
120.08213	1.2
121.05368	3.4
121.52230	0.9
122.06129	35.7
123.06457	1.8
132.04562	49.2
133.03018	1.5
133.05367	22.1
134.06149	1.4
135.04536	9.6
137.02466	1.5
138.05591	2.1
161.02420	6.8
162.05753	1.0
165.04301	23.8
166.04996	3.2
179.03455	5.1
182.06058	1.3
187.05211	1.2
201.10368	8.5
211.07655	1.5
212.10820	14.2
213.10449	6.6
225.00685	1.6
227.08330	1.1
229.09831	2.7
229.12192	1.0
243.11371	38.3
244.11714	2.7
253.09711	1.5
255.11383	100.0
256.11761	9.5
271.10910	1.6
273.11963	1.2
299.10385	17.9
300.10779	2.1
317.05832	13.1
317.11401	94.2
318.05597	2.1
318.11911	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	317.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83030	0.7
59.01384	0.9
69.76733	4.1
71.01388	1.1
72.99315	69.4
75.00879	1.1
80.96526	1.6
86.69136	0.6
93.03457	1.5
94.06664	0.8
95.05032	2.0
96.04603	0.7
96.36407	0.7
98.20599	1.2
101.06083	1.2
104.05077	0.8
110.06126	3.5
118.27860	0.7
121.05312	1.3
122.06133	21.1
132.04568	37.1
133.05368	18.8
134.06136	1.3
135.04533	2.8
138.05573	1.7
148.04076	0.8
161.02431	2.0
165.04329	19.3
166.04977	1.6
182.06172	0.8
186.09251	1.4
200.10596	1.0
201.10315	6.1
212.10828	12.6
213.10326	5.1
215.36784	0.7
225.06564	0.7
227.08305	0.7
229.09828	2.4
240.09038	1.3
243.11380	32.1
244.11722	2.3
255.11406	61.8
256.11746	5.0
271.10916	1.8
299.10376	13.0
317.05450	3.4
317.11426	100.0
318.11700	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	317.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96238	0.7
64.47540	0.5
70.89315	1.1
70.89675	0.8
71.01385	6.3
73.02932	1.7
73.61182	0.5
78.98593	4.5
79.95739	5.6
80.96522	52.5
85.02946	2.0
87.00873	2.0
93.03449	1.3
94.98096	10.7
97.02959	0.8
101.02441	2.0
106.98093	2.4
109.02934	0.9
113.02408	0.6
122.97569	2.0
125.02435	2.0
127.03976	0.7
134.97580	2.3
136.99104	0.7
137.02422	1.4
148.99126	5.2
152.40872	0.5
152.98628	4.6
153.02016	1.0
155.02438	0.9
155.03590	0.6
164.98634	8.7
206.99648	2.4
225.00754	12.9
225.02960	0.7
226.01022	0.7
253.19107	0.5
257.03458	0.8
317.05460	100.0
318.05811	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	317.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	3.5
70.77912	3.1
71.01380	3.8
72.99311	86.9
75.00890	6.1
79.95744	1.3
80.89378	1.2
80.96523	5.8
87.79723	1.1
89.02447	0.9
93.03463	3.0
94.98119	1.7
95.05018	2.5
99.00858	1.0
101.06110	1.2
106.06638	1.4
107.03789	2.1
109.02978	2.6
110.06112	4.9
121.05374	1.2
122.06130	36.6
123.04481	1.2
132.04561	48.6
133.05351	22.9
134.06136	2.2
135.04520	4.8
138.05606	2.5
139.93692	1.2
147.04636	1.6
149.06038	1.3
151.03900	1.7
159.04422	1.4
161.02434	5.0
164.98564	1.7
165.04309	26.6
166.05051	3.7
193.11548	1.3
201.10315	9.3
211.07617	3.1
212.10797	16.1
213.10349	7.8
225.00702	1.4
229.10045	1.4
237.04039	1.3
240.09114	1.6
243.11375	30.9
244.11801	2.2
253.09975	1.1
255.11389	94.1
256.11801	8.0
271.11011	1.4
273.07581	1.2
273.12265	1.9
299.10376	19.9
307.04367	1.3
317.05881	14.4
317.11414	100.0
318.11688	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	317.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48386	0.3
59.01380	0.4
63.96237	0.7
69.03460	0.4
70.09041	0.4
70.09439	0.6
71.01389	5.5
72.99323	0.4
73.02950	1.7
74.06577	0.3
78.98595	4.5
79.95734	5.8
80.96519	52.0
81.03443	0.5
83.01405	0.3
85.02953	1.7
87.00880	1.7
94.98090	10.6
96.95998	0.5
97.02949	1.5
99.00912	0.5
101.02457	2.4
101.97448	0.3
106.98079	2.6
113.02459	0.4
122.97603	2.5
125.02446	2.6
127.04007	0.8
128.67776	0.2
134.97577	3.9
136.99141	1.0
146.97533	0.3
148.99142	4.6
152.98647	5.6
164.98633	10.2
167.00189	0.5
179.00217	0.3
186.98212	0.3
206.99663	2.1
225.00742	16.6
226.01031	0.4
256.87640	0.6
274.88766	1.0
289.87689	0.3
298.88818	0.3
316.89792	1.0
317.05460	100.0
317.89783	0.3
318.05801	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	317.0071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.6
66.97375	2.2
69.56711	14.8
72.99317	5.0
75.00886	4.1
80.96534	6.8
83.65047	2.3
89.48701	2.1
93.03455	5.4
109.02949	13.9
113.02480	2.7
113.34931	2.2
119.04945	3.8
121.02972	7.1
122.03740	2.7
123.04527	17.7
123.29344	2.2
129.03458	2.5
135.04535	31.9
137.02441	4.0
139.04041	17.5
147.04544	18.4
148.05313	7.0
149.02455	2.8
149.06087	46.2
151.04010	100.0
152.04346	3.1
161.02489	5.4
163.03995	4.4
164.98587	2.7
165.01913	3.7
165.05542	7.3
175.04034	2.9
193.05031	19.6
197.09283	4.2
237.04045	55.9
255.05116	3.2
268.27466	2.2
316.99243	3.7
317.05444	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	316.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23491	0.2
59.01395	0.5
65.96812	0.2
71.01398	0.8
72.99315	0.5
75.00872	1.5
78.98612	0.4
80.96535	1.1
86.80464	0.2
87.34090	0.2
94.98027	0.3
95.01366	0.3
109.02960	0.4
109.11485	0.2
110.23420	0.2
118.13735	0.2
119.05099	0.3
123.00897	2.3
124.01678	7.0
135.04524	0.4
145.03015	0.4
148.05252	0.3
149.06142	0.5
151.04019	1.0
153.00677	2.9
153.01820	0.2
154.01477	100.0
155.01830	3.2
161.02426	0.9
164.98619	0.4
165.76025	0.3
179.76796	0.2
193.05023	0.2
211.07637	0.8
225.00700	0.3
237.04068	0.8
255.11360	0.3
272.06876	0.3
279.03024	0.4
287.09314	0.3
316.06732	16.0
317.06284	2.1
317.11072	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.6
66.97375	2.2
69.56711	14.8
72.99317	5.0
75.00886	4.1
80.96534	6.8
83.65047	2.3
89.48701	2.1
93.03455	5.4
109.02949	13.9
113.02480	2.7
113.34931	2.2
119.04945	3.8
121.02972	7.1
122.03740	2.7
123.04527	17.7
123.29344	2.2
129.03458	2.5
135.04535	31.9
137.02441	4.0
139.04041	17.5
147.04544	18.4
148.05313	7.0
149.02455	2.8
149.06087	46.2
151.04010	100.0
152.04346	3.1
161.02489	5.4
163.03995	4.4
164.98587	2.7
165.01913	3.7
165.05542	7.3
175.04034	2.9
193.05031	19.6
197.09283	4.2
237.04045	55.9
255.05116	3.2
268.27466	2.2
316.99243	3.7
317.05444	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	315.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12463	0.9
55.01881	10.6
55.72846	1.0
57.03450	7.7
58.00586	2.1
59.01383	54.7
66.54413	1.0
69.03456	1.4
71.01387	100.0
71.61431	1.3
72.01736	1.7
72.99315	4.4
73.02952	34.4
75.00886	14.9
83.01389	21.5
84.02178	1.4
85.02959	49.2
86.00114	2.7
87.00890	4.2
89.02443	10.2
95.01398	7.6
97.02948	2.6
99.00890	16.3
101.02450	89.0
102.02805	2.6
109.02954	2.0
111.00862	2.6
113.02458	40.3
114.02781	1.1
119.03458	2.3
119.90548	0.9
125.02437	2.9
126.10927	1.0
129.01967	2.8
135.04532	1.7
143.03513	3.4
159.03012	8.8
161.02502	1.4
161.04567	29.2
178.04333	0.9
197.06200	1.0
201.20213	1.0
213.09264	6.4
226.25774	0.9
227.10799	1.3
257.08182	10.8
258.08588	1.1
271.09659	1.3
300.02890	1.4
314.98065	1.6
315.05576	1.5
315.08765	8.0
315.14508	1.6
315.18118	17.6
316.18481	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	315.1966
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
59.01375	0.4
61.98790	0.2
63.75092	0.2
64.62383	0.2
65.00312	0.4
73.68167	0.2
83.05046	0.3
93.25925	0.2
194.21526	0.2
204.85645	0.2
215.07048	0.3
217.08998	0.2
229.08656	2.0
230.08984	0.3
230.99426	0.4
243.10242	1.0
244.11026	3.3
245.11288	0.3
257.11859	0.7
285.14938	1.2
286.98257	0.3
299.16412	1.1
300.02771	1.6
300.17291	1.0
314.97897	0.6
315.05151	1.1
315.19644	100.0
316.19974	11.5
316.23734	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	7.1
57.03456	4.5
57.32697	1.0
58.00594	1.9
59.01385	46.4
69.03455	1.6
71.01388	100.0
71.61605	1.4
72.01737	2.4
72.99329	3.6
73.02954	27.4
73.03342	1.8
74.51900	1.0
75.00891	3.1
83.01389	10.3
85.02957	43.0
87.00869	2.6
88.75277	0.9
89.02451	20.8
95.01388	7.9
96.95914	1.4
97.02936	1.1
99.00887	12.8
101.02453	64.1
102.02813	1.3
109.02972	1.3
111.00887	1.3
113.02463	43.7
114.02798	1.8
119.03527	7.1
125.02454	2.4
129.01936	2.1
136.57387	1.0
143.03505	2.8
159.03003	8.6
161.04559	32.5
162.04869	1.3
197.15503	3.7
204.83127	1.0
205.03500	1.9
230.99361	1.8
257.08484	1.3
276.95239	1.1
286.98364	1.7
300.02658	3.4
314.97757	3.5
315.05106	2.4
315.18210	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	315.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29320	0.7
55.01886	6.5
57.03456	5.6
58.00583	2.2
59.01384	46.0
59.60703	0.9
62.22052	0.8
69.03448	0.9
69.49477	1.4
69.49892	4.2
71.01387	100.0
72.01716	1.1
72.99312	4.9
73.02953	25.5
75.00882	1.7
75.01871	0.8
83.01393	10.0
84.02184	0.8
85.02957	41.8
87.00877	3.3
89.02451	22.6
94.90086	0.7
95.01388	7.7
97.02964	2.2
99.00890	13.6
101.02450	53.1
102.02753	0.9
109.13458	0.8
111.00871	0.8
113.02457	36.8
114.02756	1.1
119.03532	6.6
125.02400	2.1
129.01895	1.6
143.03491	3.0
159.02994	5.9
161.04573	20.5
195.46722	0.8
206.71202	0.8
230.99460	1.1
233.26945	0.7
235.00453	0.8
286.98257	1.6
300.02710	1.5
314.97763	2.6
315.05069	1.3
315.18271	1.4
315.25101	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0876
Annotation	variecolorquinone B
Peak:m/z	Relative Intensity
66.08392	1.0
71.41747	1.4
72.99306	2.2
73.32150	0.9
75.00879	71.4
84.61810	0.9
100.98820	2.6
134.03777	2.1
143.05107	1.3
145.03003	2.1
147.83437	1.0
151.94923	1.1
153.78242	1.0
158.03786	5.2
159.04486	4.1
161.02454	7.1
170.03792	1.2
171.04488	5.4
172.05309	13.0
173.02441	2.8
173.05852	1.2
174.03239	8.1
183.04512	6.1
183.11827	1.4
184.05229	4.4
185.06071	6.4
186.03319	4.6
186.06847	3.4
187.03976	15.4
187.07614	2.7
187.11313	1.2
188.04724	1.6
189.01924	4.4
189.05533	1.2
196.05359	1.5
197.06100	8.1
198.06885	14.9
199.11240	2.0
201.09158	1.1
202.02728	3.7
211.07567	3.1
212.08318	2.8
213.05576	3.2
213.09225	28.6
214.02718	8.2
214.09575	2.3
215.03500	11.2
215.07083	3.3
215.10753	6.3
216.04076	1.4
227.10786	44.2
228.11145	3.3
229.08710	1.3
231.10271	22.8
232.10518	1.8
241.05136	2.0
243.10263	11.3
244.10292	1.2
245.11864	1.6
256.07419	2.0
257.08197	100.0
258.08511	8.3
271.09775	44.3
272.10077	4.3
315.08746	48.8
316.09134	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	315.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
70.96673	1.3
72.71848	0.6
83.05022	2.3
84.04581	0.9
97.01688	0.8
104.05049	0.9
108.04547	1.7
109.01732	1.3
110.06132	12.9
120.04579	1.1
132.04559	32.3
133.05360	23.0
134.05614	0.8
135.04585	0.7
136.04059	1.5
137.04611	0.7
138.05620	30.6
139.05916	2.0
144.41451	0.7
161.07219	0.7
165.04332	22.0
166.04622	1.2
184.07671	2.7
185.08525	1.9
186.09196	1.4
187.05165	4.8
187.08723	1.0
197.07228	1.0
200.10815	24.4
200.12669	1.4
201.10307	18.1
202.10522	1.3
212.05907	2.2
213.06677	5.7
227.08289	5.6
228.08867	1.0
229.09827	1.9
243.11378	100.0
243.71843	0.7
244.11742	8.8
253.09842	2.5
271.10880	27.3
272.10983	1.7
315.09866	29.8
316.10150	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	313.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01354	1.5
60.17064	0.5
65.66202	0.6
71.01350	1.6
71.61659	0.8
75.00843	2.0
82.02994	0.5
85.02914	0.8
93.03456	4.6
107.05011	0.9
108.02140	0.7
109.02963	10.4
119.05042	3.8
121.02953	1.0
121.06576	0.6
122.02879	1.0
122.03752	16.8
123.04541	0.7
125.02407	1.3
129.03487	0.9
131.05066	0.6
135.04498	2.4
135.42946	0.5
136.05310	62.5
137.02437	0.6
137.05992	5.6
145.02960	2.2
146.03719	2.1
147.04535	9.4
151.04028	1.4
153.05548	1.5
159.04546	6.4
160.04805	0.7
161.02466	1.1
161.06105	0.9
163.03970	1.9
166.02715	1.3
175.04008	0.5
177.05618	0.8
179.07159	1.6
180.04294	100.0
181.05054	29.8
182.05377	1.8
191.07260	0.9
193.05101	1.2
197.04683	0.6
203.03510	3.3
213.05432	0.7
231.53426	0.6
237.05551	1.2
241.05228	0.7
255.06680	2.8
269.05032	1.0
269.08176	7.5
270.08694	0.7
277.50754	0.7
313.09448	54.6
314.09769	3.9
326.04327	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.275
Annotation	2-Methoxyoctadecanoic acid
Peak:m/z	Relative Intensity
52.63837	1.6
54.41342	1.8
57.03458	12.1
59.01381	2.2
69.03451	3.2
70.09660	6.8
91.02217	4.8
94.89648	1.6
99.00900	1.8
106.40720	1.9
114.57227	1.8
151.52043	1.7
174.30966	1.8
193.69554	1.5
195.99319	1.9
222.25909	1.6
267.26938	51.5
268.08395	2.2
268.27194	5.7
313.16852	7.6
313.27499	100.0
314.27869	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	314.2703
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
54.64347	0.7
59.01360	2.3
59.33969	0.8
61.98816	1.3
69.30135	8.1
70.02978	1.4
73.84341	0.7
74.06115	1.1
74.60373	0.7
84.53145	0.8
97.79742	0.8
221.18149	0.7
230.99431	0.7
235.07071	0.8
268.26303	1.7
270.24380	1.9
271.02994	0.8
300.02667	3.9
312.24966	0.8
314.27029	100.0
314.97910	1.9
315.05087	2.2
315.27734	9.1
332.99316	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0724
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
67.07626	0.4
70.37245	0.9
72.04359	0.4
90.78837	0.3
91.01864	0.5
108.02174	1.8
109.02960	69.9
110.03265	1.8
114.67232	0.4
118.99781	0.4
144.54109	0.4
152.01114	0.5
153.01950	100.0
154.02306	3.2
206.00964	0.4
221.40048	0.4
226.06496	0.3
315.07245	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	313.0718
Annotation	Sylpin
Peak:m/z	Relative Intensity
59.01383	0.3
61.37696	0.2
69.58839	1.4
75.00884	0.3
93.03460	0.4
98.20605	0.3
112.28426	0.2
121.02962	100.0
122.03300	3.5
145.67293	0.2
147.04520	0.2
180.05818	1.0
181.06589	5.2
182.06975	0.3
197.06035	0.3
198.87613	0.2
204.67332	0.2
225.03409	0.5
225.05577	7.0
226.05916	0.5
269.08240	0.3
313.07175	13.5
313.20651	0.3
314.07394	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0932
Annotation	Glochidionolactone A
Peak:m/z	Relative Intensity
55.31799	2.4
57.03425	4.3
59.01380	9.7
68.99905	2.7
69.25375	9.2
69.25796	19.0
71.01385	45.7
73.02937	14.6
75.00887	13.3
77.76815	2.7
83.01397	3.6
85.02967	16.0
89.02473	3.0
93.03476	4.1
99.00866	4.1
101.02451	20.3
106.04211	9.3
107.05040	93.2
108.02198	5.3
108.05381	2.7
109.02930	9.0
113.02509	13.8
118.25285	2.6
121.02975	9.9
123.04529	4.6
123.87971	2.6
135.04579	4.3
137.02484	5.0
147.04605	3.3
148.05223	3.4
149.06102	83.7
150.06400	5.7
151.04027	100.0
161.04564	8.4
171.72186	2.9
191.07094	5.0
193.05042	4.0
232.22989	3.3
313.09418	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	313.0931
Annotation	Bungeiside B
Peak:m/z	Relative Intensity
55.01889	1.0
57.03426	0.6
58.00592	0.7
59.01385	11.4
71.01392	10.6
71.40235	1.2
72.99312	0.7
73.02949	3.7
75.00873	0.7
83.01411	2.7
83.01825	0.5
85.02953	4.8
89.02441	3.5
95.01428	1.1
98.42960	0.6
99.00903	0.7
101.02441	7.3
107.05044	4.8
109.02971	3.8
113.02454	2.3
119.03529	1.4
123.00854	0.7
124.01675	0.8
135.04507	0.6
146.77481	0.5
151.04015	100.0
152.04372	3.4
313.09314	46.8
314.09641	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	311.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27380	0.3
79.95694	1.2
96.95999	0.4
98.95585	0.9
119.05028	1.1
170.00407	0.8
183.01204	49.6
184.01852	4.1
185.02280	0.3
197.02739	2.5
198.03442	0.4
216.00946	2.2
225.05988	0.6
230.02527	0.6
239.07474	0.7
290.46887	0.3
311.16852	100.0
312.17163	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	311.2229
Annotation	CHEBI:132678
Peak:m/z	Relative Intensity
57.03442	1.6
59.01389	7.9
66.98887	0.9
69.03451	1.1
71.01393	1.3
71.60672	1.1
73.02934	0.9
75.44987	0.9
76.52591	0.9
83.34882	1.1
85.02959	1.2
89.78065	1.0
95.01363	1.0
99.08147	2.7
113.09734	3.8
115.22778	1.1
125.09818	1.0
127.11382	1.0
129.09229	7.8
139.11311	1.9
151.11241	2.2
153.12878	1.1
169.12358	2.1
171.10316	6.9
181.12328	3.9
183.01172	3.7
183.13895	2.1
185.11823	1.3
193.12361	3.2
197.11821	11.2
199.13452	6.5
211.13396	17.3
223.20724	1.4
267.19769	1.1
275.20178	1.2
278.77954	1.3
293.21243	21.0
294.21466	2.4
295.06091	1.6
296.06955	10.5
311.05795	1.9
311.09265	8.2
311.17151	5.7
311.22284	100.0
311.29669	3.1
312.22614	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	311.2229
Annotation	12,13-Epoxy-9-hydroxy-10-octadecenoate
Peak:m/z	Relative Intensity
56.69986	1.1
57.03434	1.0
58.72602	1.1
59.01380	7.7
61.98830	1.1
70.34917	1.7
70.35300	1.7
70.72791	1.0
74.36769	1.0
74.62614	1.1
84.75050	1.0
93.41335	1.1
99.08145	1.6
111.08189	1.3
113.09710	3.7
117.71947	1.0
121.02963	1.3
125.09718	1.2
127.11295	2.9
129.09233	7.4
130.68854	1.1
132.57779	1.0
139.11273	3.9
169.12325	2.1
171.10278	20.0
181.12334	5.5
182.12733	1.3
183.01219	2.6
183.10236	2.0
183.13844	2.2
185.11821	3.2
193.12376	1.3
197.11830	9.8
199.13362	4.8
201.11308	3.8
211.13412	17.8
247.56793	1.1
267.06754	1.2
275.20190	1.9
293.21252	15.8
295.06259	1.4
296.06937	7.5
311.05789	1.8
311.09238	4.8
311.13177	2.9
311.17078	8.1
311.22287	100.0
311.29697	4.2
312.22598	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	311.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01297	3.2
67.20401	0.6
69.03383	1.3
69.47260	3.6
69.47675	1.5
71.01292	2.4
71.01643	0.8
75.00787	5.3
83.01295	2.8
85.02903	0.9
87.00800	1.6
93.03385	2.1
96.95901	0.6
97.02840	0.6
99.00830	1.2
101.02380	1.0
107.04946	1.6
107.86527	0.5
108.02151	1.4
109.02961	37.0
110.03279	1.5
111.00895	17.0
113.02367	0.8
117.03414	0.6
117.91885	0.8
119.04940	1.9
121.02943	4.1
121.06532	1.0
122.03749	0.8
123.04536	3.1
125.02251	0.7
131.04971	1.4
133.02882	1.0
134.03720	1.2
135.04538	26.7
136.04811	1.2
137.02455	3.2
137.06061	0.7
139.04039	3.1
145.02875	1.8
147.04509	4.2
148.05251	1.6
149.02438	4.6
149.06107	11.7
150.03181	1.3
151.03957	1.2
153.01863	0.9
158.03651	0.7
159.04553	4.3
161.02386	2.2
162.03249	5.6
163.04050	5.0
164.04788	0.8
165.01874	0.8
165.05577	3.4
173.02402	1.3
174.03137	2.0
175.04033	6.1
176.04698	2.1
177.05589	39.1
178.05901	1.6
179.03497	5.5
189.05550	2.4
191.03487	2.9
201.05630	1.0
203.03560	3.8
205.05087	0.7
219.03087	4.3
219.06607	6.5
221.04562	100.0
222.04871	5.1
223.04271	0.6
228.94070	0.7
231.06581	1.1
233.04587	1.2
239.05566	0.9
249.07800	0.7
263.05640	4.3
265.05154	1.1
267.06628	1.9
267.08890	2.6
279.02750	0.8
283.06024	3.9
293.06885	2.7
311.07953	27.3
311.11215	2.2
312.08200	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1502
Annotation	Pestalotheol A
Peak:m/z	Relative Intensity
57.03453	20.1
59.01385	7.9
67.01922	0.7
67.09812	0.6
69.03458	1.0
69.85323	3.2
71.05024	2.1
83.01409	1.0
83.05054	2.4
85.06625	1.1
97.03751	0.5
97.06605	1.6
98.00143	0.8
98.20582	0.6
109.06618	0.7
110.49197	0.7
111.08183	1.6
113.06104	1.2
123.08191	0.8
125.09756	1.7
139.11290	2.1
151.11284	1.2
153.12868	1.1
163.11339	2.2
165.12854	5.5
177.12860	2.2
179.14450	6.6
181.12410	1.3
181.15987	11.6
183.13918	0.8
185.11845	5.0
193.15932	1.0
195.17606	1.3
197.15454	8.2
203.14474	1.2
205.15955	6.2
207.13969	2.3
209.11974	0.8
221.15500	7.2
223.17039	30.2
224.17456	2.5
225.14969	12.2
226.15388	1.0
239.16553	2.8
243.15991	3.5
249.14987	1.9
265.14542	3.7
265.17975	0.8
267.16019	38.0
268.16458	3.5
293.14108	2.6
304.24164	0.7
311.15094	100.0
311.18701	18.9
312.15451	8.9
312.19061	1.8
332.79623	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
57.03440	4.5
58.38715	2.0
59.01379	7.1
64.69818	1.7
71.05023	1.9
71.09503	2.6
80.02714	1.8
81.03474	4.6
82.53271	1.6
83.01395	9.5
83.05025	3.7
92.06311	1.7
95.05041	2.4
96.88902	2.1
96.96013	4.3
97.06590	5.0
99.00871	3.2
108.02134	1.9
123.04498	2.8
123.08163	3.8
123.92439	1.6
125.06091	3.6
125.09723	11.3
139.11313	10.9
141.09164	2.0
146.31177	1.8
151.04005	5.9
151.07652	15.3
152.08423	9.6
162.10529	2.8
163.11324	7.8
165.12842	17.3
167.10783	6.6
177.12837	2.3
181.12311	4.1
183.13907	2.5
184.07494	2.3
191.10776	5.0
193.08662	1.9
193.12329	2.0
193.15979	5.5
197.11836	2.3
209.11835	55.7
209.15453	17.3
210.12157	2.5
211.13354	2.2
247.20667	14.3
252.10039	2.8
265.18069	5.0
265.21765	4.0
273.18475	4.2
281.21338	3.0
291.19666	100.0
292.19995	10.9
309.17068	31.6
309.20752	36.7
310.17557	3.1
310.21042	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.4
59.01365	2.4
61.98816	0.8
66.54618	0.7
67.01862	0.8
69.03458	1.4
71.41561	1.3
83.05022	2.5
89.59766	0.6
93.03471	0.9
93.07139	1.0
96.96021	1.0
97.06597	2.0
99.00876	1.9
104.20164	0.8
109.06607	1.1
111.08157	18.6
127.07642	0.9
137.09682	1.1
151.04022	3.6
151.07610	7.1
151.11263	1.2
152.08426	5.6
153.12839	1.3
169.12352	4.9
169.41245	0.6
171.10263	1.7
181.12305	2.2
181.15938	1.5
183.13933	1.2
184.07375	1.1
197.11836	60.0
198.12134	2.7
199.13347	2.7
209.15457	8.7
211.13380	7.9
221.19084	1.4
225.15054	4.3
225.18599	6.4
227.12836	2.3
237.22224	1.1
247.20695	1.3
249.18536	2.4
252.09941	1.3
263.20187	6.0
265.18130	3.7
265.21713	39.0
266.22104	4.0
267.19662	6.5
273.18512	1.1
288.13138	0.7
291.16495	1.2
291.19687	13.4
292.20007	1.1
309.17075	15.8
309.20648	100.0
310.17447	2.1
310.20990	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	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.2
57.65757	0.6
59.01384	1.3
69.31202	0.9
69.31614	4.1
71.01386	0.5
83.05013	0.8
86.46664	0.5
95.05016	0.6
97.02847	0.5
97.06582	2.0
98.20001	1.9
113.09787	2.6
115.07625	1.9
117.50676	0.5
125.06097	1.3
126.06905	0.7
127.07694	0.6
137.94164	0.5
141.09178	2.0
151.03996	0.9
151.07642	2.3
152.08383	2.0
163.03085	0.5
163.11234	1.0
165.12845	4.4
167.10747	1.6
167.14447	2.5
181.12404	3.9
183.13876	1.9
184.22966	0.6
191.14384	4.1
193.12279	2.2
193.15947	1.0
195.13866	2.3
209.15501	3.8
211.13435	4.8
212.13777	0.5
213.15057	1.0
221.15436	1.8
221.19023	0.8
223.16971	0.7
229.14304	0.9
231.17537	0.6
233.15450	6.9
240.13696	2.6
241.14360	0.7
245.19038	0.6
247.16841	0.7
247.20706	4.4
252.09995	1.1
263.20270	0.6
265.18005	7.4
265.21399	1.2
266.18420	0.9
267.15927	0.7
273.18631	3.8
281.21085	1.9
291.19669	42.8
292.20038	4.2
309.17078	16.9
309.20651	100.0
310.17453	1.7
310.21024	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	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50607	0.4
59.01369	0.7
68.18584	0.5
69.03465	1.1
70.33036	0.5
71.19342	0.8
73.72134	0.5
76.05065	0.5
81.03470	0.7
83.05019	0.8
93.03430	0.7
97.06556	1.0
102.25930	0.5
151.03986	0.8
151.07628	1.4
152.08400	2.3
195.17490	2.4
209.15433	2.6
221.19115	0.7
223.16954	1.3
225.18611	8.6
235.20702	1.1
237.22299	2.6
247.20612	1.1
263.20139	3.9
265.21719	48.1
266.22073	5.6
267.19678	6.8
309.17264	6.2
309.20691	100.0
310.17719	0.9
310.21048	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	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03415	1.4
53.61649	1.3
55.01874	1.5
55.26699	1.3
55.91510	1.2
56.68383	1.2
56.74809	1.5
57.03448	3.9
59.01379	4.1
69.03464	3.3
69.68504	3.7
69.68912	5.2
71.05017	3.2
73.02943	3.6
81.03456	2.3
83.05039	2.5
85.06600	1.7
96.96033	4.2
97.02961	6.3
99.00886	21.6
103.83366	1.2
109.06625	2.0
111.08167	38.5
112.08566	1.7
117.01908	2.0
127.07667	1.6
137.09732	2.0
151.04033	13.7
151.07654	26.6
152.08447	18.2
153.09169	4.2
165.12831	4.0
169.12352	7.3
171.10265	6.9
179.14442	1.9
181.12404	4.0
184.07433	3.4
185.11856	1.5
190.10020	3.2
191.14381	1.8
193.08636	3.0
193.12492	1.9
194.35703	1.4
196.17406	1.5
197.11836	100.0
198.12186	7.4
199.13399	3.2
207.13872	2.0
208.11061	3.4
209.15468	69.1
210.15787	4.9
211.13445	8.9
221.15436	1.6
223.17046	10.8
227.12880	6.0
233.15512	5.7
247.17024	3.9
247.20662	4.4
251.16583	15.1
252.10052	4.9
252.17021	1.5
263.20203	7.3
265.18008	9.8
266.18622	1.6
273.18646	7.4
291.16385	2.2
291.19653	57.3
292.19965	5.8
309.13522	3.1
309.17072	63.6
309.20731	54.9
310.17444	8.0
310.21085	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	309.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	30.5
67.93726	8.2
96.95998	24.5
115.05551	20.8
117.03461	22.4
130.04257	43.8
144.84915	7.7
154.60918	8.0
158.82506	9.7
160.04910	11.3
163.04079	12.1
171.10257	17.0
193.10217	21.6
197.11787	26.0
237.09187	100.0
251.16371	10.9
265.08682	9.7
265.18164	12.2
287.18915	9.9
291.19611	38.7
309.03854	13.5
309.17056	59.3
309.20712	67.5
309.23959	15.4
331.18951	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	309.1709
Annotation	7-O-Demethyl-18-hydroxy-albocycline
Peak:m/z	Relative Intensity
50.55922	0.4
57.03456	5.0
59.01382	3.3
70.29014	1.7
79.36436	0.4
83.01392	4.7
83.04977	0.4
83.63136	0.4
85.91294	0.4
99.00866	1.0
127.98428	0.5
139.35371	0.4
144.37309	0.4
179.14363	0.7
179.23399	0.5
181.15994	19.2
182.16345	1.1
182.42271	0.4
192.86766	0.4
195.13956	3.0
205.15924	2.3
207.13965	1.5
209.15405	0.7
221.19080	4.6
223.17047	35.1
224.17412	2.4
225.14949	3.9
237.18661	2.9
241.18105	9.1
247.17052	4.1
265.18091	81.6
266.18402	6.7
277.32739	0.5
291.16156	0.9
291.19418	0.8
309.17096	100.0
310.17416	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	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50769	2.2
52.10458	1.9
57.03447	2.6
58.00594	2.1
59.01373	10.8
65.21743	2.2
69.03455	4.3
70.48552	7.8
71.01392	3.2
71.05025	4.9
83.05029	3.4
93.03506	2.2
96.96005	6.4
97.02963	4.5
97.06617	2.5
106.62038	2.0
111.08172	25.4
127.07718	2.3
137.09743	4.8
151.04008	6.8
151.07675	12.2
151.11296	2.1
152.08438	9.5
153.12917	3.3
160.13893	2.2
169.12350	7.2
171.10301	7.0
181.12328	4.4
183.13844	3.4
195.14043	2.9
197.11844	100.0
198.12149	8.1
199.13376	4.2
209.15445	34.5
210.15714	2.4
211.13420	18.5
211.95912	2.3
221.15370	3.7
223.17041	7.3
227.12875	3.5
233.15450	4.1
247.17116	2.5
251.16501	12.6
263.20151	8.4
265.18066	7.0
273.15872	2.3
273.18576	3.7
291.19678	39.4
292.20013	3.1
309.04150	2.2
309.17102	31.6
309.20724	77.2
310.17831	3.1
310.21155	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	307.2281
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
59.01374	0.4
69.97589	1.0
76.27882	0.3
81.90079	0.2
82.25034	0.2
96.95994	0.5
107.80244	0.2
110.91688	0.2
133.62912	0.3
159.90318	0.3
198.83168	0.2
209.15472	0.4
307.22791	100.0
308.23154	11.2
314.84573	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1919
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
54.91440	1.2
57.03448	2.2
59.01380	7.7
59.55524	1.2
61.98841	1.5
71.01398	2.5
71.05026	3.1
71.31651	2.3
73.31483	1.1
81.03471	3.3
85.02947	1.4
86.61790	1.3
95.05080	1.2
96.96031	5.5
97.02966	2.1
97.06629	1.6
109.06587	7.8
111.04549	3.6
121.02898	1.8
123.04547	4.3
123.08167	1.9
124.10241	1.2
125.09727	2.5
127.07677	2.8
135.04491	3.2
137.06157	1.7
137.09726	5.1
141.12920	1.8
145.02892	1.9
149.06064	1.5
163.11311	4.6
177.12920	1.5
181.12430	1.8
185.11861	7.4
191.03569	2.8
191.14409	8.6
195.13815	2.2
207.10278	3.5
213.12682	1.3
217.15982	1.8
225.11342	4.3
245.19096	17.1
246.19344	2.0
265.10806	1.6
271.17065	2.2
275.87894	1.2
279.56589	1.3
289.18109	100.0
290.18393	8.2
299.14093	1.2
307.06137	1.6
307.12079	1.5
307.15836	3.5
307.19189	31.7
307.22556	1.4
308.19348	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	307.1916
Annotation	14,15,-Bisnor-8(17)-labdene-16,19-dioic acid
Peak:m/z	Relative Intensity
50.33076	2.0
57.03450	9.9
59.01384	14.9
62.60077	2.3
71.01385	8.6
71.02394	4.9
81.03461	2.2
83.05037	7.0
85.02948	4.0
93.03493	2.1
95.05056	3.2
97.06602	24.4
98.03745	3.0
106.16891	2.0
109.02963	4.2
109.06583	4.5
111.08192	12.2
121.03000	2.5
123.04475	3.4
123.08161	2.5
125.09765	4.3
132.97501	1.9
137.09718	2.4
141.57382	2.0
149.09677	4.2
151.11302	23.3
153.09157	3.6
153.12891	3.0
155.10793	11.4
156.33354	1.9
161.09755	2.4
163.11267	3.9
165.12852	23.2
167.10818	4.5
169.12431	2.4
177.12961	3.1
179.10779	8.4
181.12340	28.5
191.03447	2.1
191.10794	10.3
191.14436	7.1
194.13100	2.5
195.10254	4.4
197.11871	3.4
202.36885	2.2
205.12338	4.8
209.11848	46.8
210.12218	2.6
211.13425	6.5
224.10432	3.1
239.09261	5.1
245.19115	42.9
246.19431	3.0
263.20227	11.4
272.60309	2.3
279.19537	4.7
280.02194	2.1
289.18082	50.0
307.19174	100.0
308.19522	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66766	0.8
54.91640	0.7
57.03453	5.7
59.01398	5.4
59.70598	0.6
67.01884	1.0
70.81181	2.1
71.01389	2.2
80.02699	0.8
81.03451	4.5
83.01381	2.6
83.05042	1.9
95.05009	1.8
96.96017	1.1
97.02970	1.6
97.06593	3.4
100.57729	0.9
109.02943	1.3
111.41838	0.7
119.01363	0.8
121.06641	1.4
123.04528	2.5
123.08141	1.3
125.06090	1.3
125.09718	3.9
135.04477	0.8
135.08203	1.2
137.09813	3.7
141.12851	1.0
149.06094	1.1
151.11240	1.1
163.00418	0.9
163.11295	5.4
165.12874	1.8
167.10643	0.9
171.10274	1.4
177.12842	0.9
181.15991	49.3
182.16292	4.0
185.11848	7.7
191.03470	0.9
191.10779	1.0
191.14383	6.9
207.10217	2.6
209.11827	7.6
211.13457	1.2
217.16039	1.0
221.19115	44.3
222.19417	4.3
223.16908	2.0
225.11296	3.8
245.19128	17.1
246.19357	0.9
263.20157	25.9
264.20483	1.9
265.18109	4.2
271.17050	1.6
276.28839	0.8
289.18100	39.1
290.18423	3.6
307.19150	100.0
308.19510	10.0
315.69498	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	13.0
58.91804	2.2
59.01381	18.8
69.03429	4.0
71.01385	10.9
71.50764	4.5
81.03470	4.2
83.05022	6.5
85.02944	4.5
93.03448	2.7
95.05009	5.5
97.06599	23.9
107.05048	2.5
107.08653	2.4
107.45519	2.2
109.06606	5.9
111.08164	11.1
121.06608	3.3
123.04503	4.2
123.08186	3.2
125.09704	9.3
135.08105	3.5
137.02504	2.6
137.09691	3.7
145.88814	2.1
147.11769	2.3
149.09657	5.3
151.11284	29.7
153.09177	7.3
153.12834	5.5
155.10742	11.8
163.11279	8.8
165.12871	31.0
167.10849	5.2
169.12361	3.9
171.10284	6.6
177.09212	3.4
177.12830	3.4
179.10744	7.9
181.12340	33.4
185.11836	8.6
191.10789	13.0
191.14359	6.4
195.10205	3.7
197.11816	3.2
205.12227	5.2
207.13841	3.3
209.11842	80.5
210.12099	3.4
211.13368	10.5
224.10562	2.4
235.20618	3.5
239.09410	4.2
245.19096	35.2
246.19476	3.5
250.63846	2.6
261.18719	2.9
263.20084	14.8
279.19513	7.5
289.18073	48.2
290.18457	6.2
307.16003	3.9
307.19138	100.0
308.19464	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	307.1916
Annotation	14,15,-Bisnor-8(17)-labdene-16,19-dioic acid
Peak:m/z	Relative Intensity
57.03180	1.3
57.03451	18.3
59.01374	1.8
60.18818	0.7
65.00331	20.4
66.07237	0.6
69.31882	5.7
71.01371	0.9
81.03471	2.5
83.01389	8.7
89.02487	0.8
96.96034	0.9
116.92879	0.7
119.01466	0.7
122.03794	1.0
123.04529	4.0
125.02455	100.0
126.02788	2.4
136.99675	0.6
138.70694	0.6
143.13531	0.7
191.03496	1.0
197.19136	4.3
221.19109	5.5
223.17142	0.8
239.20126	1.0
263.20184	11.2
264.20554	1.1
265.18149	0.8
266.21094	0.6
291.09003	2.1
307.16031	1.3
307.19171	30.1
308.19464	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	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	7.9
59.01373	10.3
67.01908	1.5
69.03467	2.8
71.01400	1.5
76.15318	1.1
79.95744	2.2
80.02683	2.3
81.03460	7.2
83.01393	7.4
83.05027	4.7
85.02951	1.7
89.36404	1.1
91.09177	1.2
93.03473	1.4
95.05025	4.9
96.96030	1.3
97.02971	6.1
97.06593	13.4
98.19888	2.4
106.04277	1.8
109.06570	2.8
110.03707	1.4
115.07638	1.5
119.05058	1.3
121.06572	3.5
123.04528	9.4
123.08182	5.6
125.06121	1.4
125.09729	18.8
135.08174	4.1
137.06068	2.1
137.09720	13.9
138.09993	1.4
141.12857	3.8
142.02733	2.2
149.06062	3.9
149.09726	1.7
151.11255	1.3
161.04544	1.3
161.09853	1.8
162.10371	1.3
163.07677	2.3
163.11319	15.4
165.09164	2.9
165.12816	4.0
171.10268	2.2
177.12811	1.6
178.92250	1.2
179.10745	2.3
181.12379	4.1
185.11842	23.2
189.12843	1.6
191.10820	2.4
191.14429	19.8
207.10234	12.8
209.11835	31.4
210.12192	2.5
211.13353	2.0
217.15964	2.2
219.14185	1.3
225.11348	10.1
226.12004	1.6
233.15506	1.6
243.17494	1.3
245.19118	48.0
246.19485	2.9
261.18588	1.5
263.20035	2.6
268.16092	1.3
271.17014	5.2
289.18103	100.0
290.18497	7.5
307.19147	55.1
308.19232	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	307.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20064	0.3
59.01378	0.3
60.50577	0.2
66.79846	0.2
69.99430	1.0
74.99078	6.2
75.96207	0.2
76.12482	0.3
85.87494	0.2
87.86971	0.2
91.02220	2.6
93.00143	2.6
98.20217	0.8
107.72638	0.2
115.30912	0.2
125.52514	0.2
143.05389	0.4
149.00964	2.4
159.08478	6.5
161.06401	1.8
192.98131	0.8
206.99681	1.6
209.01285	2.6
217.07199	0.8
223.02846	49.1
224.02924	4.6
225.00827	0.5
228.20035	0.3
241.03822	0.6
275.05933	0.5
289.07501	2.0
291.09119	100.0
292.09219	11.9
307.12311	3.0
307.15479	0.5
308.12317	0.5
309.10083	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.7
59.96732	0.6
62.78775	0.5
69.77179	0.4
71.51205	0.6
72.05062	0.4
74.99076	6.4
90.13297	0.4
91.02213	3.5
93.00144	2.7
117.03351	0.4
119.95442	0.4
142.60121	0.3
149.00972	2.6
159.08488	7.4
161.06393	2.2
192.98131	0.6
202.10745	0.4
206.99666	1.0
209.01257	2.4
217.07260	0.7
223.02843	48.6
224.02847	4.5
241.03864	0.8
289.07544	1.9
291.09106	100.0
292.09216	12.3
307.12207	3.0
307.19370	0.4
308.12061	0.4
309.10245	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1402
Annotation	NSC-224070
Peak:m/z	Relative Intensity
55.01880	1.0
57.03442	0.8
58.00589	1.8
59.01387	57.8
71.01391	25.9
71.34814	1.2
72.99297	1.9
73.02943	1.7
83.01398	2.0
85.02950	5.6
87.00876	0.7
89.02448	21.6
89.95859	0.6
95.01398	1.2
99.00900	0.7
99.08167	1.5
101.02457	18.2
113.02448	8.5
117.73872	0.6
119.03510	7.5
119.04980	1.5
120.99667	1.0
127.07677	10.8
145.08722	14.9
146.56908	0.6
161.02477	0.7
161.10820	0.9
163.03979	0.7
171.09970	0.7
225.86786	0.7
261.05594	0.8
307.06613	3.2
307.14017	100.0
308.14423	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	307.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.8
57.03448	0.9
57.80282	0.5
58.00587	2.1
59.01384	55.2
69.03496	0.7
71.01389	26.0
72.27135	0.5
72.99322	2.1
73.02956	1.3
75.00879	0.8
82.62640	0.5
83.01384	2.1
85.02959	5.5
87.00888	1.3
89.02449	24.4
95.01394	1.4
99.00882	0.8
99.08173	3.9
101.02453	20.2
113.02460	8.4
119.03516	9.0
119.05025	2.0
123.00847	0.5
127.07653	10.7
128.07982	1.0
131.03516	0.6
134.93350	0.5
136.35648	0.6
143.03476	0.6
145.08725	10.4
146.09056	0.5
150.03020	0.6
161.02487	0.7
163.04015	1.0
169.09740	0.6
170.97276	0.5
200.21838	0.5
201.72887	0.5
307.06323	2.3
307.13998	100.0
308.07336	0.7
308.14404	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	307.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.0
55.25045	0.8
55.70787	0.8
59.01382	3.2
60.99309	2.3
65.03954	1.7
66.06724	0.8
67.01891	1.9
69.31314	4.9
69.31747	3.1
71.01382	2.7
73.02941	2.0
76.63200	0.9
80.02664	1.0
83.01395	1.7
88.96970	0.8
91.05547	1.3
93.03483	9.5
95.05042	4.2
97.03017	1.0
97.06565	1.4
99.04556	1.0
101.02408	0.8
103.05554	1.0
104.27324	0.8
106.04240	3.4
107.05022	3.5
107.08653	1.2
109.02938	1.0
119.05029	3.4
121.02949	2.6
121.06603	100.0
122.06945	2.7
123.04516	1.0
125.06098	4.0
133.06599	8.2
135.04587	1.4
145.06602	0.9
149.06049	1.0
151.07642	1.6
155.08739	1.8
157.10130	2.3
159.08183	1.1
159.11745	0.8
161.04619	1.7
161.06082	0.9
163.04115	1.2
173.09691	2.8
183.08163	1.5
185.09676	2.1
187.11264	4.3
191.03510	1.9
201.09219	3.5
219.13907	4.0
231.10327	1.9
233.11880	3.2
245.08205	31.7
245.11765	8.0
246.08559	3.3
259.09198	0.8
263.09259	66.5
263.12784	6.1
264.09628	4.9
275.09296	5.0
277.10812	91.6
278.11206	8.3
307.11899	82.5
307.14731	1.8
307.19275	3.3
307.22424	0.8
308.12155	6.3
321.09778	10.7
322.10138	1.2
322.41373	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.119
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69549	0.8
55.66008	0.9
59.01373	2.5
59.94833	1.1
60.99304	2.9
65.03960	1.5
67.01910	1.6
69.25894	1.1
71.01382	2.9
71.41078	2.1
73.02959	1.2
83.01393	2.1
89.34483	0.8
93.03448	6.6
95.05030	2.2
103.05534	1.1
106.04266	3.5
107.05035	2.7
109.02959	1.3
119.05054	4.6
121.02988	1.3
121.06607	100.0
122.06921	3.2
123.04578	1.0
133.06592	6.9
135.04532	1.6
149.06104	1.0
155.08542	1.0
157.10204	2.2
159.08057	1.0
163.03989	1.4
173.09769	1.2
183.08064	1.4
185.09726	1.4
191.03490	4.0
201.09264	4.3
205.08748	1.4
213.09395	1.0
233.11809	2.6
245.08214	30.5
245.11797	7.7
246.08598	2.5
255.89169	0.9
263.09253	59.2
264.09564	2.8
275.09274	4.4
277.10822	87.4
278.11194	7.3
307.11899	74.6
307.19183	3.0
308.12289	6.4
321.09778	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	305.2489
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
52.44805	0.4
59.01377	1.2
61.43728	0.4
64.22703	0.4
71.01374	0.6
73.64624	0.4
96.58870	0.4
98.20737	0.9
115.95500	0.4
160.98788	0.7
180.54201	0.4
188.98235	0.4
229.75818	0.4
305.24878	100.0
306.21805	0.7
306.25204	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	307.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97503	0.7
55.01886	2.9
56.18352	0.8
57.03452	2.1
58.00599	5.2
58.99622	0.8
59.01385	100.0
60.01717	1.7
69.03462	8.3
71.01390	76.4
72.99310	6.1
73.02957	24.2
75.00893	1.4
79.01944	1.1
80.96526	0.7
81.03464	6.0
83.01389	7.1
85.02961	25.8
87.00899	3.1
87.04533	1.4
89.02457	21.1
89.02997	1.5
95.01404	3.2
96.96035	0.8
97.02965	11.3
97.06626	1.0
98.20654	1.2
99.00917	2.9
99.04519	0.8
101.02451	29.2
103.04016	17.0
107.05042	1.5
108.02190	4.7
109.02972	5.4
113.02476	3.5
115.04013	1.6
119.03520	6.4
119.05119	1.1
121.02959	2.1
123.00940	0.8
125.02460	24.6
127.04032	2.2
129.03564	1.1
131.03511	1.4
133.02924	0.8
135.04558	8.5
143.03525	3.6
145.02992	1.3
145.05106	1.5
147.04515	4.0
148.05322	2.9
150.03369	0.8
161.02475	3.8
163.04056	6.6
163.06116	3.3
173.02484	1.9
176.04842	1.5
177.09276	1.9
187.04045	2.7
187.07730	1.5
189.37260	0.7
191.03528	20.4
192.04315	3.8
202.06520	1.6
205.08702	3.3
247.08206	3.8
267.10367	0.7
307.05704	1.2
307.08719	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.9
59.01376	2.4
67.01885	2.7
67.39407	1.0
69.03480	1.8
69.53030	7.9
73.02952	11.5
84.02184	2.6
95.05018	4.5
97.02941	6.6
97.06588	8.7
99.04544	4.1
106.04250	2.0
107.05039	8.8
107.08677	10.5
108.02173	1.9
109.02985	2.1
110.03740	2.5
119.05006	1.5
121.02936	1.3
121.06586	2.1
122.03680	1.1
123.04577	2.9
125.06088	48.3
126.06422	1.2
131.05070	1.0
131.08693	1.2
132.05844	2.8
133.06569	2.0
135.04530	4.6
142.02734	1.8
145.02991	1.7
147.04471	1.2
150.03221	7.0
151.04033	4.0
151.07648	14.5
157.10193	1.2
159.08179	4.6
159.11800	11.1
163.03999	2.5
163.07629	1.8
165.09200	5.0
169.05077	7.2
175.11305	2.4
185.09729	4.7
187.11288	46.4
188.11670	3.4
189.12819	1.1
191.03477	6.6
203.10770	2.3
217.12370	1.5
219.13895	41.8
220.14253	3.7
230.88837	1.0
231.10263	7.1
241.72560	1.1
263.12888	100.0
264.13269	7.6
275.09137	5.0
289.10928	2.9
293.10352	1.8
307.11929	36.5
307.15259	1.7
308.12231	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	305.137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	18.2
68.88571	1.1
69.03452	3.4
69.18088	1.1
70.75460	2.9
71.01379	1.3
72.38058	1.2
80.02647	1.1
88.46017	1.1
90.13892	1.3
93.03439	1.9
95.05016	1.6
97.06604	1.8
98.22032	1.2
108.02191	1.2
108.38434	1.1
109.06563	2.1
117.07112	13.9
125.09742	4.2
129.55928	1.1
135.08148	5.2
149.09633	1.7
166.77565	1.2
167.10707	2.9
179.14413	4.4
185.11819	1.3
195.13918	12.7
205.12308	9.9
223.13391	100.0
224.13832	5.6
243.17404	1.8
245.11642	7.7
277.17950	1.8
287.16531	17.7
305.08200	5.3
305.13696	8.2
305.17548	7.4
305.75943	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.176
Annotation	Corrin
Peak:m/z	Relative Intensity
55.01857	2.9
59.01373	7.2
60.35285	2.2
60.54226	2.0
61.63039	2.1
61.98823	5.1
62.26754	2.2
70.47234	5.9
71.05028	44.1
79.35863	2.4
81.03439	6.2
88.51529	2.1
95.05022	19.0
97.06580	3.1
98.20091	4.1
100.99044	2.1
107.05051	2.6
108.02147	3.2
109.02909	2.5
109.06592	17.1
111.04555	3.7
119.05049	2.7
119.66036	2.0
121.06615	7.1
135.08167	3.3
147.04457	3.5
150.40361	2.1
161.06142	4.1
165.09195	14.1
168.13901	3.4
169.14264	5.7
189.12866	16.1
199.95854	3.1
205.15976	8.9
233.11865	9.0
243.17569	8.5
245.15474	2.4
249.14973	12.1
261.18762	2.8
287.16534	83.0
288.16907	6.6
289.10263	2.2
305.08151	5.5
305.17612	100.0
305.21103	7.4
306.18051	10.7
306.21115	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1761
Annotation	Corrin
Peak:m/z	Relative Intensity
53.77401	1.4
57.03442	2.3
59.01376	5.3
61.98813	2.2
66.20788	1.7
71.05021	31.8
72.99696	1.4
81.03489	3.2
93.03457	3.5
95.05043	14.2
96.68423	1.5
106.04295	2.4
107.05009	1.7
109.02956	2.5
109.06578	10.2
111.04556	1.6
120.05810	1.8
121.06606	5.4
135.08156	9.7
147.04517	3.7
147.08157	3.0
149.34068	1.6
159.65747	1.7
161.06042	2.5
161.09746	1.7
165.09215	10.5
168.77231	1.7
185.11789	2.3
189.12859	14.9
205.15961	8.4
215.03416	1.8
231.13979	1.9
233.11810	3.5
243.17494	11.2
249.14995	9.0
261.18509	1.4
269.15500	3.1
287.16553	68.0
288.16876	6.8
304.99692	1.5
305.08221	3.5
305.17584	100.0
306.17868	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75095	1.7
55.37379	1.6
59.01371	3.4
69.70222	11.4
71.01386	56.3
72.99334	1.8
75.00883	12.5
89.03965	1.9
95.05012	2.7
101.02466	3.3
113.02440	2.8
118.99851	1.9
122.35257	1.9
133.02036	3.1
133.02968	45.3
135.04370	1.8
143.05029	4.7
145.02980	18.9
146.03760	19.2
147.04417	3.6
158.03729	6.5
159.04515	8.7
161.02431	2.0
161.06081	19.4
171.04572	3.0
172.05232	3.3
173.02238	2.0
173.06125	17.1
174.03235	9.3
174.04547	1.8
175.03960	2.8
189.05571	38.2
217.05066	100.0
218.05409	8.6
233.06009	2.2
249.05573	2.0
277.05121	3.1
277.76126	1.7
305.04611	9.4
306.05273	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68113	1.5
55.01880	2.4
57.46555	1.3
58.00598	4.6
59.01387	100.0
60.01732	1.5
69.87848	1.4
70.74067	2.1
70.74402	3.6
71.01391	51.9
72.99323	3.3
73.02945	2.7
81.07104	23.1
83.01408	2.0
83.04993	1.8
83.99149	1.5
85.02962	9.6
87.00880	2.1
89.02457	79.4
95.01408	3.1
95.31306	1.6
101.02454	33.1
113.02460	20.2
114.02727	1.5
119.03510	31.2
125.06070	7.4
128.43953	1.6
131.03525	4.2
143.07152	2.0
152.10078	2.2
159.32631	1.6
161.04582	3.7
179.05608	3.7
225.20630	1.6
233.49406	1.6
305.12463	44.6
306.12726	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	305.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.2
58.00599	3.1
59.01387	100.0
69.52764	9.5
71.01391	51.6
72.99283	2.9
73.02962	2.2
76.51119	1.3
81.07104	20.7
83.01403	4.2
85.02958	8.7
86.21782	1.5
87.00886	2.1
89.02451	66.3
95.01402	3.2
95.84120	1.5
101.02456	34.8
110.52269	1.1
113.02457	21.7
114.02801	1.9
118.22382	1.3
119.03519	27.1
125.02374	1.8
125.06115	6.1
131.03526	2.2
138.05594	2.4
143.03519	2.3
143.07085	1.9
149.04547	2.1
161.04572	2.7
169.03647	1.4
171.74767	1.4
179.05612	2.8
179.30478	1.6
243.38438	1.2
248.85423	1.2
305.12448	46.5
306.12842	3.5
314.98840	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.192
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56192	0.3
58.02979	43.9
59.03310	0.5
89.22650	0.3
100.37479	0.3
104.16835	0.3
148.48265	0.3
168.13945	100.0
169.14262	4.7
172.46825	0.3
191.78174	0.3
197.83264	0.3
209.90858	0.3
212.12915	3.6
213.13141	0.3
216.47220	0.3
304.19165	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09172	1.1
59.01400	1.8
59.36795	1.2
66.87882	1.0
68.99577	77.1
69.37912	9.8
72.99289	1.7
75.00883	3.4
82.98934	1.1
93.03481	2.2
99.00881	1.1
107.32683	1.2
112.98574	100.0
116.29339	1.1
121.02958	4.2
135.04541	1.4
137.02448	1.2
145.97176	1.0
149.00996	1.2
151.48891	1.1
161.02603	1.2
225.88698	1.1
256.34149	1.2
272.28494	1.2
305.08899	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01092	1.1
59.01380	16.9
61.71496	0.7
71.01350	1.0
75.00877	2.0
75.72974	0.7
77.59769	0.6
83.05025	1.2
85.86233	0.7
121.02779	0.7
131.41951	0.6
147.00967	0.9
168.13841	1.3
194.02202	0.8
205.19560	2.5
206.02623	0.7
206.19807	0.7
230.99454	1.7
231.21179	1.0
259.24286	8.3
302.97604	1.7
303.23294	100.0
304.23621	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	303.2331
Annotation	Arachidonic Acid (peroxide free)
Peak:m/z	Relative Intensity
59.01382	11.3
70.35109	0.4
70.68761	1.3
71.01385	0.9
79.95759	0.4
83.05031	0.7
119.98891	0.4
147.00902	0.5
163.07616	0.4
167.19476	0.3
175.00322	0.4
177.09244	0.6
202.99808	0.5
205.19603	3.1
214.08188	0.4
230.99403	1.9
231.21271	0.5
240.11095	0.4
247.20276	0.4
259.24289	11.9
260.24573	1.3
285.22363	0.6
301.21692	0.4
302.97766	1.5
303.00543	1.3
303.23294	100.0
304.23645	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	303.233
Annotation	8,11-eicosadiynoic acid
Peak:m/z	Relative Intensity
51.48388	0.8
53.42167	0.7
58.83767	0.8
59.01372	3.2
71.01366	1.6
79.95740	2.4
80.96544	1.0
83.05037	0.8
85.61755	0.7
99.92589	1.3
126.03884	0.7
131.01309	0.9
230.99353	1.2
242.56213	1.0
259.24258	3.5
279.99286	0.9
302.97668	1.6
303.00693	1.1
303.20184	5.4
303.23279	100.0
304.23593	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	304.0011
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90408	0.3
59.01380	4.5
59.12941	0.3
59.31685	0.2
60.01733	0.2
61.98832	100.0
71.01390	0.9
71.60683	0.3
72.99311	0.8
74.60801	0.3
75.00877	1.3
80.21418	0.2
84.89861	0.2
85.02977	0.3
94.34357	0.3
99.00903	0.3
103.92029	0.3
109.02959	0.4
117.00497	0.5
119.05035	0.4
121.02932	0.4
125.02494	0.3
135.04660	0.3
154.05113	0.4
159.01433	0.5
160.01607	1.1
160.97635	0.3
161.01213	1.2
161.02440	0.5
161.98956	19.7
162.96556	0.3
162.99088	1.3
163.03944	0.4
170.09502	0.3
175.02562	0.5
176.02621	0.3
202.00633	0.3
202.02623	0.5
203.99994	4.3
205.00076	0.5
219.01541	0.4
220.01660	1.1
221.01169	0.5
232.01971	0.3
245.03305	0.4
261.98969	0.3
276.00589	0.6
277.00226	0.4
304.00046	13.0
304.02649	0.8
305.00122	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1141
Annotation	Eudistomin W
Peak:m/z	Relative Intensity
56.00548	0.5
59.01377	2.2
60.45151	0.6
65.00317	0.6
75.00884	4.6
81.03419	0.6
81.11279	0.5
83.01379	0.6
93.03463	1.5
93.94040	0.6
109.02957	0.5
116.05029	0.6
117.03474	18.3
118.03760	0.7
119.05032	100.0
120.05365	4.9
121.02983	1.3
123.04533	2.2
128.05054	2.2
130.06642	6.4
144.04669	0.8
145.02959	51.8
146.03302	3.3
156.06964	2.9
157.07710	16.1
158.08025	1.2
161.02452	0.6
177.12849	2.2
183.05627	13.5
184.05983	0.7
186.05586	0.6
193.16060	0.7
194.56273	0.5
202.99890	0.9
217.15970	4.3
219.13828	0.7
228.07910	0.7
230.99393	1.5
259.16992	5.0
260.10721	1.0
261.11301	0.8
261.15027	1.2
302.97665	1.3
303.11395	72.3
303.15921	8.0
304.11728	8.1
304.15570	0.7
309.15115	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04822	0.5
57.03418	0.8
59.01381	3.8
71.01367	1.2
71.61617	0.5
72.99255	0.6
75.00879	3.5
85.02925	0.8
89.02415	0.6
91.03979	0.7
95.04978	0.5
101.02413	1.0
109.02902	0.7
113.02367	0.5
119.04997	0.6
139.11336	0.8
145.02921	0.7
159.04489	0.9
167.14417	33.0
168.14677	1.7
175.46228	0.5
188.04744	0.6
195.17523	1.9
205.15924	1.2
211.13396	39.0
212.13698	2.2
223.17172	0.8
229.14441	100.0
230.14764	6.8
230.99220	1.0
241.18248	0.6
257.17548	0.8
259.09808	1.1
279.03015	0.6
302.97925	1.4
303.08878	2.5
303.12393	1.0
303.18195	32.1
304.08966	0.7
304.18445	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	303.1816
Annotation	oscr#10
Peak:m/z	Relative Intensity
54.32908	0.3
57.03432	0.6
57.79907	0.3
59.01385	2.2
64.99885	0.5
69.45596	3.1
75.00878	2.1
78.30272	0.4
91.04018	0.5
109.84893	0.3
112.60307	0.4
165.12894	0.6
167.14423	34.3
168.14795	2.7
185.15448	0.5
211.13405	48.5
212.13748	3.6
229.14447	100.0
230.14777	6.4
230.99385	0.6
279.02997	0.5
302.97876	0.9
303.18173	25.7
304.18506	2.1
325.73642	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.4
59.01384	16.7
68.40806	0.4
69.03481	0.6
70.63451	0.8
71.01383	0.9
75.00887	0.8
83.05037	1.3
86.62641	0.3
92.59576	0.4
95.05019	0.4
98.20605	0.5
107.08755	0.3
114.87952	0.3
146.09521	0.3
158.69704	0.3
163.07608	0.4
168.13948	0.7
175.91449	0.3
177.16451	0.4
187.53250	0.3
205.19641	2.6
210.14281	0.3
212.72926	0.4
228.07985	0.5
230.99359	1.0
231.21126	0.6
259.24307	9.1
260.24680	0.9
261.00058	0.4
285.22287	0.9
302.97641	0.6
303.00708	0.8
303.23306	100.0
304.23645	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	301.2174
Annotation	Yuexiandajisu B
Peak:m/z	Relative Intensity
52.96552	1.2
59.01386	17.1
66.87699	1.4
71.38741	1.1
81.05563	1.3
91.13979	1.3
107.75238	1.3
108.14542	1.1
110.99934	1.2
135.11838	1.6
145.02934	2.6
185.02426	2.0
201.01883	1.8
203.18045	6.8
209.83473	1.3
229.01439	3.5
257.22769	32.6
258.23093	2.6
277.61551	1.5
283.20752	1.5
283.99698	2.5
286.04636	1.6
299.99158	1.5
300.99908	49.2
301.03357	2.8
301.07184	2.0
301.21725	100.0
302.00220	5.2
302.22040	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	301.0931
Annotation	1-beta-D-Glucopyranosyloxy-3-methoxy-5-hydroxybenzene
Peak:m/z	Relative Intensity
65.03995	0.2
69.32962	2.3
93.03466	6.5
107.01536	0.2
112.43330	0.2
121.02963	8.3
123.00893	1.3
137.02393	0.3
138.03246	1.0
139.04024	100.0
140.04358	3.6
165.01959	0.9
256.14392	0.2
301.09335	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	301.1661
Annotation	Viridamine
Peak:m/z	Relative Intensity
59.96733	0.4
60.97516	0.7
62.64478	0.2
69.91383	0.5
69.91794	0.8
74.99100	0.6
84.13840	0.2
93.17122	0.2
118.96291	0.9
134.99406	5.9
136.97327	2.0
141.63139	0.2
143.05368	1.0
150.98906	0.6
159.08478	1.7
161.06407	6.2
185.02559	0.4
193.01665	0.2
201.02090	0.3
201.04112	0.6
203.05632	3.0
204.05786	0.4
205.03586	0.9
215.05592	1.2
217.07219	84.9
218.07358	7.4
229.01494	0.3
234.72183	0.2
235.08295	0.4
245.01025	0.3
261.06232	0.5
283.11841	0.7
283.15115	0.2
285.13486	36.9
285.54068	0.3
286.13687	4.2
300.99902	4.2
301.16602	100.0
302.00150	0.5
302.16827	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	301.0355
Annotation	HIERACIN
Peak:m/z	Relative Intensity
63.02401	7.8
65.00329	16.6
65.00670	0.8
69.43256	3.7
75.00900	0.6
81.03448	0.4
82.43252	0.4
83.01389	9.6
93.03472	4.9
95.01379	0.7
98.20609	1.0
105.39790	0.5
107.01398	23.5
108.01645	0.5
108.04554	0.5
109.02965	2.6
112.85947	0.4
119.05047	0.5
121.02959	18.9
122.03271	1.0
124.01686	0.8
124.07651	0.6
125.02511	1.1
135.00970	0.8
135.04512	0.6
136.07689	1.8
139.04025	2.2
145.02960	0.4
148.01660	0.5
149.02454	2.7
150.05629	0.5
151.00380	68.1
152.00710	2.2
159.04462	0.8
161.02457	1.5
163.00365	1.6
163.03975	1.3
164.01236	1.1
169.01427	3.8
178.99869	23.4
180.00192	1.1
185.05989	0.6
187.03999	1.5
189.05434	0.4
193.01402	1.2
199.04059	0.6
201.05540	1.5
211.03975	0.9
227.03546	1.1
229.01485	0.7
229.05043	2.0
230.02179	0.6
239.03641	0.6
243.02982	1.1
245.04604	2.0
255.03024	0.8
257.04529	1.0
257.13016	3.5
273.04086	4.9
286.04608	0.7
299.01947	0.9
301.00031	8.1
301.03519	100.0
302.03851	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	300.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00334	0.3
51.17436	0.3
54.66601	0.3
59.01390	1.6
68.01416	2.9
69.70766	1.9
71.01396	0.7
73.50993	0.3
75.00881	0.9
89.93217	0.3
90.75974	0.3
94.06622	0.4
95.05024	0.5
96.04536	0.4
98.20621	0.4
109.03016	0.3
122.02509	0.7
122.06148	0.4
123.03280	6.1
124.07723	1.0
126.55683	0.3
135.50261	0.3
136.07718	0.6
136.48531	0.3
137.02423	0.3
137.04857	0.8
138.05620	100.0
139.05974	3.2
145.02928	0.5
152.07173	1.8
166.08734	0.7
167.05917	1.8
168.06656	0.5
180.06645	5.4
185.02435	0.5
195.21448	0.3
214.15691	0.3
227.03842	0.3
240.08897	0.4
258.01749	0.6
282.04892	0.4
285.03577	0.4
300.02744	0.4
300.05957	1.9
300.10883	13.3
300.99875	5.2
301.03485	1.5
301.06812	0.6
301.11084	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0268
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24456	0.4
59.01381	20.1
61.98817	0.8
66.94362	0.4
70.06563	1.9
70.54498	0.4
72.46224	0.4
76.36804	0.4
82.39117	0.4
89.46021	0.4
115.02523	2.2
115.03149	0.4
117.00420	1.9
134.96046	0.8
136.93991	5.1
136.95752	0.6
137.94051	1.9
138.93745	3.1
149.19124	0.4
151.92696	0.6
152.92856	0.5
157.03557	0.5
159.01494	25.6
160.01611	1.7
178.91682	0.6
178.95085	4.6
179.95166	1.4
180.94794	2.8
195.92023	0.4
196.92786	1.7
197.90712	1.3
198.40759	0.7
201.02545	5.8
202.02850	0.7
241.87192	0.8
249.36992	1.8
249.87013	1.4
256.89618	0.8
257.87720	0.4
258.87396	24.1
259.01611	0.7
259.88123	9.8
260.88196	0.6
272.85577	0.9
273.86090	11.7
274.86084	0.9
274.90866	4.7
275.88809	1.5
276.88464	100.0
277.88547	9.4
278.88928	0.7
286.04724	0.5
289.87646	0.6
290.87219	1.0
291.87201	46.9
292.87256	4.6
299.06705	0.5
300.33380	0.8
300.88489	16.2
301.02673	11.6
301.88513	2.0
302.02838	1.4
318.89548	66.2
319.89713	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	299.0773
Annotation	Pseudolaroside A
Peak:m/z	Relative Intensity
59.01373	1.5
65.68507	0.4
67.65079	0.4
70.01142	1.4
71.01396	0.7
71.20412	0.4
72.99326	0.5
75.00871	3.3
93.03463	92.9
94.03803	1.8
98.19936	0.8
107.12404	0.5
120.43238	0.5
121.02901	0.6
122.03780	0.7
135.04564	0.9
137.02452	100.0
138.02791	3.5
138.05557	0.5
149.02373	0.5
151.04033	0.7
161.02455	2.9
179.03549	0.7
182.90273	0.4
190.18382	0.5
197.04608	0.5
209.47040	0.4
226.69557	0.4
284.03210	2.2
299.05389	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2593
Annotation	(R)-10-Hydroxystearate
Peak:m/z	Relative Intensity
50.90003	0.5
59.01392	0.8
65.00323	5.8
68.33726	0.4
69.50790	4.0
76.42296	0.5
98.19926	1.1
102.25432	0.5
114.74718	0.5
116.92860	0.6
117.03515	1.3
119.05103	0.7
122.04893	0.5
135.69870	0.5
136.98819	9.5
138.05653	1.6
139.00443	0.7
139.11420	0.6
141.12888	3.4
149.99652	1.3
158.03809	0.7
165.99193	0.6
183.04518	1.1
185.02443	0.6
186.03282	1.7
190.99757	0.6
200.04881	1.0
211.04137	0.8
212.04832	2.3
227.03532	2.8
228.04309	0.7
253.25456	1.6
255.03052	0.9
270.98862	0.6
271.22836	3.7
279.86407	0.5
281.24969	2.1
283.02563	1.9
284.03278	50.1
285.03635	5.6
297.24542	1.4
299.02325	0.9
299.05646	23.6
299.16867	1.5
299.20316	57.0
299.25885	100.0
299.99335	0.6
300.06128	2.3
300.20663	5.9
300.26218	10.6
312.19196	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00312	0.2
59.01373	0.8
60.52514	0.2
68.01422	0.8
69.30243	1.3
69.30663	0.6
75.06089	0.3
88.14966	0.3
95.05032	0.3
101.67244	0.2
103.54703	0.2
108.08189	0.3
109.64220	0.2
109.93630	0.2
111.68118	0.2
120.49596	0.2
122.02521	0.5
122.06134	0.3
123.03274	10.4
124.07635	0.2
137.04861	0.7
138.05620	100.0
139.05968	3.6
152.07182	0.8
165.04329	0.4
167.05925	0.4
180.06688	1.9
300.10916	5.4
301.00180	0.4
301.11316	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04289	0.4
50.71700	0.4
63.69726	0.5
75.86180	0.4
78.93265	0.4
79.95747	1.5
170.00427	0.9
183.01204	47.9
184.01891	3.5
197.02762	2.5
198.03459	0.6
216.00952	2.9
230.02469	0.8
239.07439	0.6
297.15286	100.0
298.15662	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	299.0411
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45663	1.0
52.81805	1.0
59.01368	2.5
60.97535	1.2
65.73285	1.2
70.51779	4.6
71.01385	1.5
72.99317	1.9
74.63499	1.1
75.00878	100.0
78.95931	1.2
88.36942	1.1
93.03461	34.1
94.03794	2.0
109.02924	2.5
118.99845	1.4
121.02946	3.3
122.03744	3.1
123.04539	7.6
133.02957	10.8
135.04510	10.2
136.04883	1.8
137.02454	44.3
138.02840	1.8
139.03970	5.9
149.02458	33.0
150.02652	1.3
151.04013	11.8
161.02451	60.6
162.02817	1.9
163.03877	1.1
179.03525	1.4
181.05046	14.4
225.04028	14.3
237.04030	4.6
274.52817	1.2
284.03262	4.3
299.05502	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.0
64.89280	0.9
71.60118	1.0
72.99325	1.0
75.00880	100.0
76.01205	1.0
78.95901	1.8
93.03463	14.4
109.02962	2.2
112.36549	0.7
121.02960	3.8
122.03760	2.6
123.04546	6.2
123.10796	0.9
127.79189	0.8
133.02971	9.7
134.03294	1.1
135.04536	7.6
135.36630	0.7
137.02457	22.0
139.04010	4.8
149.02469	28.7
151.04019	12.8
161.02461	64.6
162.02771	2.5
164.22246	0.9
179.03503	1.4
181.05089	11.3
225.04007	11.7
237.04022	7.5
284.03351	1.1
299.05450	1.0
308.44986	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.098
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00615	0.9
59.01383	21.2
70.19863	3.1
71.01382	3.6
72.99316	1.3
73.02970	2.3
75.00889	1.3
81.32603	0.8
83.01354	0.9
89.02444	6.2
90.80005	0.9
91.05537	1.1
93.03464	10.4
101.02435	6.4
105.51921	0.8
106.04240	1.5
107.04994	1.0
109.03001	1.0
111.80529	0.9
117.03456	1.1
119.03534	1.6
119.05022	7.1
121.02950	0.9
131.05008	1.6
132.05804	5.3
133.06601	100.0
134.06943	4.1
135.04544	9.1
144.85599	0.9
145.02957	1.3
145.06581	4.4
146.07419	1.5
147.04524	9.3
147.08151	4.2
151.04022	1.3
156.05782	3.7
157.06590	16.7
158.06975	1.9
159.04523	3.7
160.05302	39.8
161.05745	2.8
163.04013	1.4
163.07634	5.9
173.06079	2.1
175.07646	68.9
176.08009	2.7
177.05594	2.3
191.07111	4.3
207.06630	3.3
235.09775	4.9
253.10725	1.6
255.05148	0.8
296.22794	0.9
297.09763	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	297.098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78357	0.6
53.93446	0.7
58.00584	0.6
59.01383	14.9
71.01382	2.6
72.99303	1.4
75.00877	1.5
75.53400	0.7
85.54744	0.6
87.19026	0.6
88.27115	0.6
89.02430	3.8
93.03458	4.4
101.02428	4.1
107.05025	0.8
118.99926	0.6
119.05043	4.0
123.04521	0.7
131.05095	0.7
132.05841	3.5
133.06607	100.0
134.06964	4.0
135.04552	6.7
145.03026	0.9
145.06607	2.2
146.07414	0.8
147.04532	3.2
147.08154	1.7
156.05774	1.2
157.06592	6.0
159.04512	1.5
160.05305	20.6
161.02417	0.8
161.05785	0.7
163.03978	0.8
163.07668	3.6
173.06105	1.5
175.07643	35.0
176.08020	2.5
183.96027	0.6
191.07179	1.2
201.31981	0.7
235.09712	2.8
237.07771	0.7
286.76263	0.7
297.09961	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1192
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
55.01867	1.3
57.03444	1.8
58.00597	3.7
59.01384	100.0
60.01716	1.6
69.44431	7.0
71.01389	62.0
72.99318	3.5
73.02953	8.7
75.00877	1.4
76.33880	0.9
77.41746	1.0
81.03460	1.6
83.01395	4.0
85.02957	16.2
87.00886	3.4
89.02450	75.1
95.01385	3.5
99.00906	2.2
101.02453	44.1
103.04012	1.7
113.02465	25.6
113.12042	0.9
117.05584	3.0
119.03514	29.0
120.03867	0.9
125.02422	1.2
131.03510	4.2
135.04526	8.6
135.06642	32.9
143.03528	6.1
149.04572	1.9
161.04590	15.1
162.22609	1.0
179.05612	17.4
221.25615	1.0
237.09853	2.3
288.61447	1.1
297.11920	58.3
298.12305	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	295.228
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
57.03451	0.9
59.01392	3.5
71.01374	0.7
71.19005	0.8
71.19351	0.9
84.04021	0.5
84.67004	0.5
99.08173	0.6
109.02942	1.4
124.54291	0.5
125.09733	0.6
127.11314	0.8
152.82718	0.5
155.10738	0.8
171.10275	30.0
172.10632	1.6
183.10252	8.0
185.11800	0.6
195.13896	3.6
197.04153	0.5
233.22858	0.7
259.20502	0.6
277.21719	40.8
278.22028	3.6
293.21411	0.6
295.06134	1.4
295.22787	100.0
296.23096	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	295.2281
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
59.01374	2.3
60.06515	0.6
61.98840	0.5
62.68062	0.6
70.85085	1.2
71.05030	0.6
72.99332	0.5
78.22378	0.5
83.05040	0.8
96.96007	0.9
98.95596	6.2
98.96254	0.8
98.96461	0.8
109.02967	2.3
109.06647	0.7
127.11221	0.7
134.89490	1.1
141.12863	9.7
142.13202	0.6
142.69823	0.6
155.14426	4.0
167.06725	0.5
182.83191	0.6
223.91124	0.5
249.22237	9.8
250.22580	0.8
251.16486	1.0
277.21722	1.0
295.06186	0.8
295.18155	3.6
295.22784	100.0
296.23126	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	297.0769
Annotation	Eutypoid D
Peak:m/z	Relative Intensity
57.03447	1.2
59.01366	2.5
65.00327	2.1
69.77399	5.0
71.01390	1.3
71.91544	0.8
72.06494	0.8
75.00880	1.5
75.78153	0.9
91.01894	5.5
93.03469	7.7
93.57838	0.8
96.96011	2.2
102.24550	0.9
106.04261	0.9
108.02185	1.7
109.02962	43.4
110.03298	1.7
117.03452	1.4
119.05042	3.8
121.02931	4.9
123.04492	1.1
129.03448	1.8
129.94643	0.8
130.04231	2.3
131.05032	4.8
133.02893	1.0
135.04538	10.6
143.05045	21.2
145.02982	12.7
146.03752	46.1
147.04524	22.9
148.04820	1.4
153.01938	2.7
159.04489	4.0
161.02504	4.1
175.00371	2.6
196.05231	1.3
197.55609	0.9
208.05223	0.9
209.06088	2.9
210.06839	1.2
211.07645	2.5
213.05602	1.0
223.07671	1.4
224.04735	1.1
225.05505	2.5
235.07620	9.5
235.13541	1.1
236.08304	1.5
239.07137	1.1
241.05103	1.0
251.07204	5.0
252.07712	2.5
252.10257	1.5
253.08711	100.0
254.09013	8.1
260.14792	1.0
267.06534	2.0
269.04538	3.5
269.07523	1.0
280.09601	1.7
297.03973	9.7
297.07379	5.2
297.13394	3.7
297.16476	0.9
297.24304	2.8
298.10788	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88187	0.3
57.03447	2.2
59.01393	1.2
67.01891	0.6
69.03481	1.3
71.17366	0.6
83.05045	1.6
85.06616	0.5
86.70943	0.4
95.05089	0.6
97.06599	1.4
99.08185	0.8
109.02972	1.0
109.35732	0.3
113.09769	0.4
165.76930	0.3
166.19131	0.5
166.85870	0.4
167.14453	1.8
181.16077	0.5
183.17648	0.4
193.16003	0.6
195.13844	1.0
207.17485	1.7
209.15417	0.9
211.17041	9.1
212.17482	0.4
217.15898	0.5
221.19052	0.4
223.20538	0.6
233.19072	1.4
235.17009	3.7
236.17705	0.5
249.18590	2.2
251.20169	50.6
252.20531	5.1
253.18074	8.0
254.18330	0.4
295.19141	100.0
296.19522	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	295.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88187	0.3
57.03447	2.2
59.01393	1.2
67.01891	0.6
69.03481	1.3
71.17366	0.6
83.05045	1.6
85.06616	0.5
86.70943	0.4
95.05089	0.6
97.06599	1.4
99.08185	0.8
109.02972	1.0
109.35732	0.3
113.09769	0.4
165.76930	0.3
166.19131	0.5
166.85870	0.4
167.14453	1.8
181.16077	0.5
183.17648	0.4
193.16003	0.6
195.13844	1.0
207.17485	1.7
209.15417	0.9
211.17041	9.1
212.17482	0.4
217.15898	0.5
221.19052	0.4
223.20538	0.6
233.19072	1.4
235.17009	3.7
236.17705	0.5
249.18590	2.2
251.20169	50.6
252.20531	5.1
253.18074	8.0
254.18330	0.4
295.19141	100.0
296.19522	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	295.1552
Annotation	7-O-Methylpseudomajucin
Peak:m/z	Relative Intensity
53.49451	0.4
57.03454	7.8
58.19294	0.3
59.01389	3.3
59.65579	0.4
70.91039	0.8
82.12314	0.3
82.66209	0.4
83.01391	3.6
83.05034	1.0
85.06580	0.4
90.56139	0.4
102.25639	0.4
109.02964	1.1
109.06576	0.8
167.14418	18.8
168.14766	1.0
181.12372	2.4
181.13704	0.4
191.14417	2.3
193.12389	1.5
207.17563	5.5
208.17892	0.6
209.15480	30.9
210.15761	1.6
211.13428	4.3
212.13747	0.7
223.16997	3.0
227.16554	10.0
228.16859	0.8
229.14491	1.2
233.15521	3.4
251.16534	87.7
252.16855	7.5
277.14456	0.6
295.15518	100.0
296.15878	8.4
296.19275	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0611
Annotation	Aristolic acid
Peak:m/z	Relative Intensity
51.19781	0.1
52.17238	0.1
59.01381	0.2
63.78515	0.1
65.00336	0.1
65.03999	0.1
69.50705	0.5
72.99312	0.1
75.00892	0.2
79.95753	0.2
80.68549	0.1
81.03447	0.4
82.62131	0.1
87.68174	0.1
91.01900	0.3
93.03470	0.1
94.36230	0.1
96.96056	0.1
98.19884	0.2
101.03972	0.3
105.80776	0.1
108.02187	1.9
109.02956	100.0
110.02521	0.2
110.03290	3.0
115.05548	0.4
117.03460	0.1
119.05055	0.2
121.02959	0.3
123.67123	0.1
129.03444	0.1
130.04196	0.1
131.05035	0.8
132.05339	0.1
133.02960	0.2
134.03738	0.1
135.04518	0.3
137.02463	0.2
145.02969	1.0
147.04515	0.7
149.96417	0.1
157.02939	0.9
158.03755	1.2
159.04518	16.2
160.04843	0.8
161.02455	1.0
162.02940	0.1
173.02423	1.5
174.03191	0.4
175.04007	4.9
176.04372	0.2
177.77071	0.1
179.03613	0.1
185.02440	6.5
186.03186	1.5
187.03854	0.2
193.06581	0.3
196.05293	0.2
197.06065	0.3
201.01913	0.4
202.02698	0.3
207.06662	0.2
208.05280	0.1
209.06102	0.1
211.03992	0.2
211.07666	0.2
220.05292	0.2
221.06036	0.6
222.06795	0.2
223.04016	0.2
223.07608	0.2
224.04822	1.0
225.05559	1.6
232.05208	0.2
233.06018	0.1
237.05556	0.3
238.06320	0.2
239.07140	1.4
240.07457	0.1
248.04771	0.5
249.05528	1.3
250.06415	0.6
251.03615	0.2
251.07109	0.9
252.04221	0.2
253.05031	2.1
254.05473	0.2
260.04694	0.1
263.03531	0.1
265.05045	0.5
266.05817	0.3
267.06619	2.3
268.07187	0.1
276.04202	0.4
277.05051	2.0
278.05777	0.7
279.03067	0.2
280.03790	0.7
292.03876	0.2
293.04562	1.1
294.05298	0.7
295.06104	49.9
296.06442	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	295.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.1
59.07398	0.2
69.03465	0.3
71.01395	0.4
75.00883	1.1
80.96539	1.6
85.02945	0.4
93.03462	7.3
95.05029	1.0
106.04284	0.4
107.05106	0.3
108.02197	0.8
109.02960	31.7
110.03304	0.8
111.00881	0.8
111.04529	0.4
113.02471	0.4
113.06087	0.7
117.03443	0.3
117.34763	0.3
119.05051	2.3
121.02956	0.9
121.06608	0.4
123.04528	1.0
130.04204	0.3
131.05066	2.0
132.05827	7.2
133.02988	1.2
133.06604	17.7
134.03745	0.9
134.06938	0.9
135.03612	0.3
135.04533	1.8
137.06110	0.3
145.02962	0.5
146.03783	0.5
147.04498	0.8
149.02382	0.3
149.06059	0.5
149.09698	0.4
157.02960	0.3
158.03712	0.7
159.04539	5.0
160.05222	0.5
161.06090	100.0
162.02971	0.3
162.06442	5.1
163.04024	1.7
169.12331	0.4
173.02444	0.7
173.06227	0.3
175.04054	1.7
185.02446	4.0
186.03119	1.0
187.03917	0.5
189.12880	2.4
192.04265	0.3
203.07254	0.5
205.05086	8.0
206.05386	0.6
207.06555	0.6
207.13989	0.5
221.06186	0.4
224.04741	0.6
225.05565	0.8
239.07173	0.7
247.06059	0.4
249.05484	0.7
251.07051	0.4
251.09283	4.1
251.12894	2.7
253.05080	0.7
267.06601	1.1
277.05029	1.5
278.05917	0.3
279.02985	0.3
293.04648	0.8
294.05157	0.4
295.06021	11.1
295.08401	12.2
295.12045	1.8
296.05872	1.3
296.08978	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0614
Annotation	4-Acetylchrysophanol
Peak:m/z	Relative Intensity
52.06645	0.2
59.01389	0.4
69.26679	1.2
69.27097	0.7
71.01391	1.2
72.99307	0.2
75.00863	0.3
81.03475	0.4
91.01901	0.5
93.03459	0.3
99.98966	0.2
101.03923	0.2
108.02181	2.2
109.02963	100.0
110.03310	2.7
115.00394	3.0
115.05538	0.3
117.03465	0.4
119.05029	0.5
121.02979	1.4
123.04433	0.3
129.03502	0.4
131.05037	0.6
133.01453	8.3
133.06607	0.3
134.03766	0.5
135.04535	5.5
136.04861	0.2
137.02429	0.2
139.49712	0.2
141.03479	0.4
145.02992	2.0
147.04533	2.6
157.02968	2.6
158.03764	1.4
159.04535	12.2
160.04855	0.4
161.02428	1.1
161.06094	1.3
163.04041	1.1
164.04774	0.3
173.02440	3.8
174.03271	1.1
175.04027	3.4
176.04378	0.2
177.05548	0.2
179.03510	0.7
185.02458	31.4
186.03214	7.6
187.03760	0.6
192.04301	0.8
193.06613	0.3
197.06026	0.6
201.01907	0.2
202.02678	0.3
207.04660	0.3
207.06645	3.5
209.06027	0.2
211.03944	0.3
211.07631	0.3
220.05289	0.3
221.06136	1.2
222.06526	0.3
223.07739	0.3
224.04781	1.1
225.05582	1.6
232.05264	0.3
232.31889	0.2
233.05946	0.3
237.05626	0.6
238.06334	0.3
239.07133	1.7
248.04759	0.6
249.05550	1.8
250.06242	0.5
251.07074	0.5
251.13033	0.2
252.04166	0.3
253.05052	2.4
254.05383	0.3
260.04700	0.4
264.04099	0.2
265.05069	0.7
266.05804	0.9
267.06656	3.7
276.04306	0.6
277.05048	3.8
278.05756	1.3
279.02948	0.5
280.03793	1.7
292.03888	0.2
293.04556	1.7
294.05383	1.0
295.06119	56.4
296.06470	4.7
311.94815	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	2.0
61.87508	1.5
63.86717	1.6
63.98999	1.3
69.42045	12.6
71.01376	4.4
72.99290	1.7
75.00867	1.9
84.48467	1.9
108.02190	4.1
109.02960	88.5
109.14105	1.8
115.00409	14.0
119.04971	1.8
121.02947	2.5
123.04564	2.8
132.05809	1.8
133.01445	31.2
133.06592	5.5
134.03726	5.3
135.04538	100.0
136.04869	5.3
146.03729	2.2
147.04507	4.5
148.05290	2.0
151.03986	3.6
157.02846	2.5
159.04573	11.6
161.02454	2.0
161.06100	31.6
162.03212	5.2
162.06430	2.6
163.04037	15.3
164.04765	6.8
165.10330	1.5
173.02420	2.2
174.03258	10.9
175.03972	5.0
177.05553	9.8
179.03517	5.0
179.07231	1.8
185.02458	18.8
186.03044	3.9
189.05550	2.2
191.03485	2.3
192.04332	16.7
205.04980	4.1
207.06636	72.5
208.06920	3.6
239.07108	1.7
249.05663	1.8
267.06464	2.2
277.05002	4.3
295.06036	46.9
295.08963	3.5
296.06421	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	293.2123
Annotation	8-[(1R,2R)-3-Oxo-2-{(Z)-pent-2-enyl}cyclopentyl]octanoate
Peak:m/z	Relative Intensity
59.01370	1.4
61.98813	1.4
66.15452	0.8
69.03459	0.9
71.01381	1.7
71.61329	1.2
72.99305	0.9
83.04993	0.8
93.97488	0.6
96.96008	6.6
101.93162	0.7
109.02934	1.2
109.76042	0.7
113.09731	0.7
139.11301	4.1
153.12860	1.3
167.14322	0.8
177.09175	0.9
191.18040	3.0
192.11552	2.3
193.15929	1.5
201.96474	0.7
205.12315	2.1
220.14667	10.3
221.15460	22.5
222.15788	1.7
236.10539	16.3
237.10851	1.0
247.20634	2.4
249.18660	0.8
293.17908	7.1
293.21204	100.0
294.18365	0.9
294.21542	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	293.2125
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
54.47485	0.9
59.01382	2.5
62.28672	1.2
66.92509	1.0
70.93097	1.5
70.93418	1.4
71.01377	1.8
78.57109	1.1
79.66306	1.0
96.77123	1.2
109.06601	2.0
121.10241	43.1
122.10530	1.5
125.09736	2.3
171.10278	72.9
172.10619	2.5
183.10245	4.2
183.13887	10.4
185.11827	3.3
211.13419	2.0
220.14639	1.6
221.15486	6.6
231.21182	5.4
235.17087	2.7
236.10597	3.3
269.47870	1.2
275.20157	100.0
276.20459	10.4
291.89102	1.2
293.21243	92.4
294.21530	6.9
299.95334	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
57.03448	1.0
59.01372	1.5
60.95012	0.6
69.31771	4.1
69.32197	2.0
87.46441	0.8
152.22455	0.7
167.10718	0.9
167.45598	0.6
179.14441	1.9
190.11073	0.7
195.13921	14.5
196.14511	1.6
205.12341	2.0
211.13431	0.9
220.14740	0.8
221.15509	1.6
223.13388	11.2
228.13660	1.9
231.21068	0.9
236.10591	1.2
256.13235	4.3
272.36502	0.8
275.20160	7.7
293.21237	100.0
294.21555	9.2
299.55765	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	8-[(1R,2R)-3-Oxo-2-{(Z)-pent-2-enyl}cyclopentyl]octanoate
Peak:m/z	Relative Intensity
59.01383	0.7
61.98831	1.5
65.00344	0.9
71.01375	2.1
71.15972	1.0
75.95592	0.6
79.95744	1.6
96.96017	53.3
106.11191	0.6
109.02943	0.8
133.02856	0.7
155.05974	0.8
177.09079	0.8
192.11580	1.9
193.15979	1.2
198.04387	0.7
205.12274	1.1
209.19136	1.4
220.14709	9.6
221.15474	18.7
222.15845	1.2
236.10548	15.4
237.10840	1.0
249.22243	100.0
250.22601	8.5
251.20203	17.5
252.20508	1.2
254.15645	0.7
263.09778	0.7
293.17902	40.3
293.21246	47.9
294.18213	3.5
294.21545	5.2
296.20468	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0459
Annotation	cis-coutaric acid
Peak:m/z	Relative Intensity
59.01385	13.8
60.90819	0.5
69.51563	4.2
71.01392	4.2
71.05034	1.3
72.99329	2.9
75.00880	3.0
84.99316	0.7
85.02963	0.6
87.00880	8.2
89.02453	5.1
93.03463	1.6
99.00848	0.6
101.02443	1.9
103.00388	3.3
109.02203	1.3
109.02961	26.7
110.03288	0.9
112.98818	8.0
113.02449	1.6
115.04016	2.5
117.03465	0.7
119.03612	1.8
119.05033	61.2
120.05385	3.2
121.02986	0.9
131.03572	0.6
135.04561	0.7
137.02461	0.5
145.02950	0.9
147.04575	0.6
149.00920	11.3
157.02991	0.6
159.04495	3.9
163.04019	100.0
164.04375	4.4
173.02461	1.0
175.03987	2.8
185.02467	7.6
186.03091	0.9
187.03847	0.6
238.99651	1.3
239.07346	0.6
248.04799	0.6
249.05603	0.9
251.07590	1.8
253.04993	0.7
267.06555	1.4
277.05157	1.2
295.06134	13.9
295.10297	10.0
296.06833	1.1
296.10257	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50496	0.9
59.01382	1.0
60.11139	0.7
60.85548	0.9
67.10796	0.8
70.63564	2.5
71.01389	10.6
72.05504	0.8
72.99306	2.7
74.80412	0.7
75.00889	1.1
89.02441	1.0
89.39534	0.8
93.03432	0.9
108.02187	2.5
109.02962	100.0
110.03291	3.3
115.00379	31.1
116.00688	1.0
121.02931	2.2
123.04532	1.2
133.01443	73.5
134.01811	1.4
134.03767	1.4
135.04529	31.5
136.04913	0.9
145.02934	1.5
147.04520	2.8
157.02921	2.8
158.03722	1.3
159.04530	12.3
161.02469	1.1
161.06064	1.3
162.03252	1.1
163.04059	4.1
164.04796	2.2
173.02469	3.5
174.03212	2.4
175.03981	4.3
177.05589	1.4
179.03506	6.6
185.02446	32.2
186.03185	7.6
191.03357	0.9
192.00934	1.0
192.04294	4.3
207.06625	14.7
208.06979	1.6
223.07800	0.9
224.04852	1.6
225.05617	1.8
239.07022	1.5
249.05644	2.6
251.07167	1.0
253.05060	2.3
267.06631	3.7
277.04996	5.5
278.05801	1.1
280.03827	2.1
293.04465	2.2
294.05154	1.2
295.06134	55.2
296.06421	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	293.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45459	0.4
59.01383	0.6
61.98831	0.8
69.26698	4.5
71.01364	0.7
84.37630	0.5
96.95988	0.7
98.19889	0.7
102.37231	0.5
107.05054	0.6
119.86578	0.5
135.08173	3.4
136.08534	2.4
137.08755	1.3
145.02817	0.5
145.10254	1.9
152.21080	0.4
163.11279	5.6
189.12828	1.1
192.11473	0.5
206.09445	1.5
217.12292	2.0
220.14700	1.2
221.15552	2.5
236.08330	0.5
236.10573	1.9
249.14961	8.2
249.17474	0.8
261.11313	6.2
263.21838	0.4
264.16635	0.6
265.85803	0.5
275.35724	0.5
279.11429	4.6
293.13953	100.0
294.14276	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	293.1759
Annotation	Embelin
Peak:m/z	Relative Intensity
64.52782	0.4
65.33264	0.4
66.38101	0.4
69.95667	2.4
71.01385	7.6
98.20022	0.6
125.06897	0.4
127.07648	1.2
138.56575	0.5
148.05275	1.2
164.08446	1.4
177.09222	5.0
190.09991	0.6
192.11586	6.5
201.57176	0.4
205.12335	7.7
207.13857	1.2
218.09477	2.7
220.14680	47.7
221.15460	100.0
222.15813	7.4
235.13356	1.0
236.10545	69.3
237.10876	5.1
293.17612	7.2
294.17889	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69740	0.4
54.98002	0.4
57.03232	0.5
57.03453	5.3
59.01397	2.4
61.98835	0.5
66.30945	0.4
70.18156	1.7
71.01386	1.2
78.14268	0.5
96.96012	2.0
97.06590	0.9
109.06640	0.6
113.09731	18.8
114.10058	0.7
126.96957	0.5
135.11792	1.0
139.11270	2.1
149.09734	0.9
149.11700	0.5
167.10812	2.7
171.10284	0.8
177.09268	0.6
177.12837	0.7
179.10782	1.8
192.11620	0.7
195.13927	2.8
205.12283	0.8
220.14714	3.8
221.15462	6.2
231.21170	0.5
236.10547	4.8
249.22252	2.1
275.20224	1.2
293.08893	1.6
293.21222	100.0
294.21530	8.9
312.84845	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.6
59.01371	1.3
61.52579	0.5
61.98842	1.1
71.01384	1.8
71.61731	0.8
96.96014	4.6
97.06586	0.9
125.09718	3.5
133.02907	0.6
141.12874	1.0
149.09738	2.6
177.09239	1.1
183.13792	0.7
185.11823	8.7
192.11588	1.5
193.16020	1.4
195.13937	0.6
197.11877	3.9
205.12312	0.9
220.14671	8.2
221.15459	15.0
222.15898	0.9
236.10567	11.2
237.10924	0.9
249.22191	1.0
275.20148	1.2
293.18082	5.1
293.21231	100.0
294.21530	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	293.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45459	0.4
59.01383	0.6
61.98831	0.8
69.26698	4.5
71.01364	0.7
84.37630	0.5
96.95988	0.7
98.19889	0.7
102.37231	0.5
107.05054	0.6
119.86578	0.5
135.08173	3.4
136.08534	2.4
137.08755	1.3
145.02817	0.5
145.10254	1.9
152.21080	0.4
163.11279	5.6
189.12828	1.1
192.11473	0.5
206.09445	1.5
217.12292	2.0
220.14700	1.2
221.15552	2.5
236.08330	0.5
236.10573	1.9
249.14961	8.2
249.17474	0.8
261.11313	6.2
263.21838	0.4
264.16635	0.6
265.85803	0.5
275.35724	0.5
279.11429	4.6
293.13953	100.0
294.14276	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	292.1918
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
58.02975	0.7
59.01379	1.3
61.98785	0.3
68.42357	0.3
71.01371	0.6
84.39848	0.3
96.96008	0.6
104.99691	0.3
133.66344	0.3
136.08446	0.5
142.94896	0.3
156.13942	100.0
157.14287	5.2
177.09111	0.4
192.11606	0.7
200.12935	6.8
201.13277	0.4
205.12350	0.5
220.14684	3.6
221.15466	7.5
221.17473	0.6
236.10561	5.9
292.09677	0.7
292.12714	1.3
292.19669	1.1
293.14587	0.4
293.17645	1.7
293.21237	3.0
314.67279	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.067
Annotation	Cyclic dehypoxanthine futalosine
Peak:m/z	Relative Intensity
51.65529	0.8
57.61631	1.0
59.01382	13.4
60.89004	0.7
71.01398	6.7
71.60729	1.1
72.99317	7.2
75.00880	5.8
77.70535	0.8
85.02949	3.0
88.04055	1.0
88.59290	0.7
89.02452	4.9
96.42976	0.8
101.02438	5.5
109.02946	2.9
113.02451	1.8
113.06082	1.3
117.03413	1.0
119.03493	2.4
119.04990	1.7
121.02918	1.1
123.04501	1.1
132.03032	2.9
133.03024	1.2
133.06532	1.0
135.04535	5.6
143.05035	3.3
145.02930	1.8
147.04500	3.9
149.06129	1.6
157.06598	3.3
158.03670	1.6
159.04527	11.2
160.05299	1.4
161.02487	2.1
161.04924	0.9
161.06070	4.8
163.04045	1.4
171.04547	1.6
172.05356	1.0
173.02457	2.2
173.06010	1.6
174.03192	2.0
174.05637	1.1
175.04047	4.1
177.02005	1.4
183.04327	1.0
185.06085	18.4
187.04028	14.7
187.07593	1.3
188.04791	34.2
189.05562	26.6
190.05911	1.8
191.03481	2.1
195.04524	1.2
201.01917	5.2
201.05614	3.7
202.06227	1.3
203.03514	36.6
203.07138	3.3
204.03932	1.7
205.04984	1.2
212.04742	1.6
213.05585	25.9
214.02698	2.8
214.05986	2.4
215.03448	1.2
216.98158	1.8
218.04474	1.8
231.06622	100.0
232.07011	6.8
233.04572	3.8
236.05635	5.6
242.02217	0.9
249.07666	6.5
257.04593	1.0
263.05542	6.8
265.04938	1.2
275.05566	1.5
292.99622	1.3
293.04419	3.3
293.07123	3.4
293.12357	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	292.083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.3
69.09368	0.6
69.73865	3.6
75.00883	1.2
76.54807	0.5
82.03009	1.1
93.03476	1.8
94.71787	0.6
95.92967	0.5
96.04556	1.1
100.04048	0.7
102.04984	1.0
102.05619	11.6
102.19274	0.5
109.02924	0.6
117.03475	2.3
119.05036	100.0
120.05377	3.9
120.20703	0.5
121.06638	0.6
123.29329	0.6
128.03552	26.5
144.04588	0.6
145.02965	29.4
146.04602	49.9
147.04681	2.3
154.08698	0.5
159.08315	0.5
162.05626	1.8
163.04019	14.4
164.04366	1.0
172.02547	2.2
177.50139	0.6
178.05122	0.7
188.07132	0.9
190.05045	1.1
197.46782	0.7
202.08748	5.2
203.26089	0.6
204.10316	2.6
230.08278	2.6
239.08890	0.7
248.09364	3.3
274.07275	9.5
292.08304	29.2
293.04352	1.0
293.08548	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	292.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80646	0.6
59.01379	3.0
60.00640	0.7
60.38063	0.8
65.49674	0.7
69.51766	1.8
69.52179	3.3
71.01398	1.5
82.02972	0.9
85.02929	1.6
93.03469	2.1
100.04093	1.3
102.05616	35.8
117.03485	6.0
119.05032	99.7
119.48531	0.8
120.05369	3.2
125.12817	0.8
128.03545	51.6
129.01979	0.6
129.03909	1.4
145.02962	37.2
146.04602	100.0
147.04744	2.5
148.64926	0.7
162.05646	2.0
163.04010	16.8
164.04271	1.0
172.02524	3.1
174.05580	1.0
177.01939	2.4
202.08743	7.5
204.10327	2.5
221.87541	0.9
230.08188	2.6
248.09189	3.5
274.07260	11.0
292.08307	30.4
293.04538	1.7
293.08456	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1968
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
58.39957	0.4
59.01398	2.0
69.03469	0.6
69.39249	3.7
71.86121	0.4
73.02951	62.1
74.03289	0.9
96.96060	0.4
98.19831	0.8
110.17844	0.4
122.55037	0.4
165.16310	0.4
179.58658	0.4
181.56177	0.4
246.98744	0.5
247.02505	2.2
262.68665	0.5
291.13007	3.0
291.19669	100.0
292.19998	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	291.1969
Annotation	12-OPDA
Peak:m/z	Relative Intensity
57.03445	0.6
59.01380	2.6
61.98805	0.5
69.03458	1.2
69.52095	2.9
80.96524	0.9
95.05076	0.6
96.95986	0.5
97.06556	0.5
99.04533	0.7
106.04221	0.5
111.04482	0.6
121.02974	0.7
125.06099	0.5
135.08118	0.8
148.08958	1.2
150.10504	1.3
151.11272	0.6
163.11284	0.9
165.12851	21.1
166.13187	1.1
175.11256	0.5
176.12021	0.5
191.14471	0.7
217.16017	0.5
247.02467	1.4
247.20670	11.2
248.21004	0.9
252.35286	0.4
273.18637	6.3
274.18875	0.7
277.10959	0.5
291.12851	4.3
291.19662	100.0
292.20032	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	291.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11977	0.5
57.03440	1.0
57.55686	0.5
59.01384	4.3
61.23722	0.5
69.03471	0.9
71.05025	15.1
82.20993	0.6
83.05038	0.7
91.54336	0.7
97.06590	4.1
98.19852	1.5
100.89901	0.5
111.08168	6.3
151.64746	0.5
159.97519	0.6
167.10779	1.2
177.12843	0.8
179.10777	0.7
195.13904	3.9
207.13934	1.6
219.13899	2.2
235.17101	1.7
247.02431	1.3
247.20636	2.6
272.11475	0.6
273.18542	1.4
291.13083	2.8
291.19666	100.0
292.20016	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	291.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	13.0
57.03449	7.3
58.00594	2.8
58.43019	1.0
58.78916	0.9
59.01383	70.0
64.16278	1.1
64.32682	1.0
67.32346	0.9
69.03455	3.2
71.01386	90.3
72.01716	1.2
72.99319	6.0
73.02950	38.5
75.00882	2.4
82.76421	1.1
83.01395	25.6
85.02956	55.0
86.00104	3.3
87.00889	5.8
89.02444	7.6
95.01385	5.7
97.02930	1.3
99.00888	14.6
99.04489	1.6
101.02448	100.0
102.02831	2.0
111.00880	3.3
113.02460	35.8
113.03245	2.3
116.20220	0.9
125.02467	2.8
127.11323	2.9
129.01910	1.8
129.12904	1.6
143.03522	3.9
149.06062	1.2
159.03032	8.0
159.47925	1.1
159.94064	1.0
161.04578	21.3
202.87126	1.1
291.12402	3.6
291.18115	16.8
291.81873	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1816
Annotation	1-Octyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01883	10.8
57.03458	6.2
58.00608	2.2
59.01386	60.6
69.03461	2.0
69.40520	9.3
69.40878	1.7
71.01389	100.0
71.25229	1.1
72.99332	5.3
73.02955	40.1
75.00873	1.8
83.01398	21.9
85.02959	52.3
86.00134	2.2
87.00880	3.8
89.02465	10.3
89.79850	1.1
95.01404	7.9
97.02964	3.5
98.19904	1.6
99.00897	17.6
101.02451	95.3
102.02843	1.3
111.00880	3.0
113.02457	42.2
119.03539	1.7
124.97976	1.1
125.02420	1.2
127.11288	2.2
129.01938	1.6
129.12886	1.7
129.78674	1.2
135.04509	2.8
136.04803	2.3
137.14751	1.1
143.03519	4.0
159.03029	9.7
161.04564	22.7
162.49255	1.0
174.84103	1.0
186.24080	1.0
194.04636	1.2
205.03444	1.3
212.37378	1.2
212.90891	1.0
246.26224	1.1
276.84085	1.1
291.12341	3.3
291.18094	13.2
313.26263	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.124
Annotation	Unknow
Peak:m/z	Relative Intensity
64.80555	0.5
69.03478	0.5
70.37726	1.7
75.00881	0.5
79.05531	1.6
87.04527	0.5
93.03465	2.6
106.04291	0.7
107.05032	0.6
107.08685	0.7
109.06586	1.8
117.07113	4.0
119.05045	3.1
120.05889	0.6
121.02941	0.8
133.06616	1.4
135.08176	100.0
136.08501	5.0
157.54706	0.4
169.10321	1.1
170.21872	0.5
171.11819	2.1
176.06584	0.5
179.07191	0.5
187.11246	1.1
189.12875	0.7
215.10728	3.0
229.35233	0.5
247.13406	0.9
259.09747	36.9
260.10077	3.3
277.10818	68.6
278.11179	5.6
291.12405	60.4
292.12762	5.7
293.25488	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	5.1
58.68407	0.4
59.01374	1.1
63.84080	0.3
65.88017	0.3
69.03468	0.5
69.84676	0.8
69.85072	0.8
87.04523	3.3
98.19924	0.5
105.05101	0.4
118.96436	0.4
123.04565	0.4
123.08170	4.9
131.08647	1.4
135.08159	1.2
143.08661	0.5
147.08162	2.3
148.08528	0.4
151.07578	0.3
156.13943	13.2
157.06546	0.5
159.08157	6.0
165.35489	0.3
168.03061	0.3
171.11800	5.4
185.06061	0.9
187.07642	6.1
187.11279	6.9
188.11653	0.5
189.12769	0.6
200.12956	0.7
215.10744	9.0
216.11151	0.5
247.13362	0.7
277.10770	0.8
291.12390	100.0
292.12708	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	291.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.0
60.97508	0.4
62.34026	0.1
63.31939	0.1
66.38828	0.1
67.53173	0.2
69.03452	0.3
69.35321	1.4
74.99070	1.3
75.90630	0.1
93.00135	0.9
96.96044	0.2
98.19844	0.3
99.04520	0.4
108.80948	0.1
109.28716	0.2
110.34209	0.1
111.04501	0.2
121.02977	0.2
122.20535	0.1
126.77486	0.1
134.99390	0.2
135.08102	0.2
137.06110	0.2
149.00966	2.2
161.06386	1.0
192.98125	1.3
206.99663	0.4
209.01263	4.4
210.01268	0.4
210.99275	0.3
217.07176	1.8
218.07417	0.2
225.00739	1.0
247.02481	0.4
275.05875	0.9
276.06161	0.2
289.07532	2.8
290.07709	0.3
291.09106	100.0
292.09219	12.1
292.12729	0.3
309.10147	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1239
Annotation	Curvularin
Peak:m/z	Relative Intensity
55.01881	4.2
58.02974	0.9
59.01381	7.2
59.15034	0.8
61.98824	0.9
67.33463	0.8
69.03452	2.9
71.31094	0.7
71.31425	1.7
87.04510	2.8
95.74364	0.7
99.04494	2.5
100.53173	0.7
102.38475	0.7
103.65928	0.7
109.02963	0.9
111.04525	1.9
116.24821	0.8
119.05013	1.1
121.02950	3.2
123.08169	4.2
131.08658	1.3
135.08177	5.8
147.08163	1.8
151.07657	8.7
156.13950	26.7
157.06538	0.8
159.08160	5.0
168.14021	0.8
169.14241	1.0
171.11832	4.0
187.07645	4.3
187.11340	5.4
200.12975	1.9
215.10718	7.6
231.10219	1.7
247.02620	1.4
247.13246	1.0
247.16969	1.1
263.20172	2.9
273.18805	1.6
277.10745	3.9
291.12393	100.0
291.19547	18.4
292.12735	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1241
Annotation	10-Acetoxy-8,9-epoxythymolisobutyrate
Peak:m/z	Relative Intensity
53.44714	0.8
55.01869	2.8
57.03439	1.7
59.01382	10.7
63.87454	0.8
69.03449	4.1
69.45934	7.1
71.01392	2.3
75.00867	1.8
79.05534	1.1
83.05064	0.9
85.02970	1.6
87.04524	3.1
88.95992	0.9
93.03469	3.8
96.96033	1.5
97.02946	1.3
99.04541	3.1
106.04288	1.5
107.05046	1.5
109.02939	0.9
109.06586	2.2
111.04538	2.5
117.07106	3.6
119.05026	3.6
121.02985	2.3
123.04575	1.0
125.07265	0.9
133.06598	2.3
135.04562	3.6
135.08174	84.6
136.08514	3.9
137.06033	1.5
147.04517	1.0
161.06018	1.0
163.04044	1.1
169.10214	2.4
171.11797	2.5
175.07683	1.0
187.11282	2.7
189.12871	4.7
191.03517	2.3
192.04253	1.2
193.08713	1.3
202.99811	1.3
211.07510	1.1
215.10750	4.1
247.02464	5.7
247.13483	1.9
259.09750	17.2
260.10120	1.2
277.10815	100.0
278.11121	7.6
291.12402	99.1
291.19537	3.6
292.12778	10.1
308.17978	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1083
Annotation	Dendrocandin C
Peak:m/z	Relative Intensity
59.01373	3.8
67.01890	3.5
68.99825	6.6
71.01402	3.9
71.18920	3.3
73.02940	2.1
93.03484	2.5
95.05048	4.6
97.02975	9.7
99.00899	3.6
101.02433	2.6
103.05533	5.1
105.03460	11.6
106.04247	1.7
107.05061	3.3
108.02188	7.3
109.02999	2.8
111.04508	2.4
117.03467	2.4
119.05032	5.1
121.03007	8.1
121.06606	47.5
122.03751	2.6
122.06869	3.1
130.04262	4.2
131.05034	100.0
132.05370	4.8
133.02948	4.2
133.06606	6.0
134.03770	2.8
135.04535	21.6
135.08153	5.1
143.05023	3.8
145.02960	5.2
147.04532	8.6
156.05685	2.1
157.06575	3.1
157.10271	4.0
158.03613	1.8
159.03220	2.5
159.04521	41.0
160.05069	1.9
161.02475	2.0
163.03999	10.5
165.05537	12.9
172.05293	2.4
173.02335	2.3
175.07574	2.5
175.11285	2.3
177.09201	2.0
183.08105	3.9
185.09715	37.3
186.10052	2.4
187.07614	2.1
189.09427	1.9
191.03519	31.1
191.07146	50.0
192.04315	8.6
197.06065	4.7
199.03802	2.6
201.09296	3.7
203.10854	2.1
205.08705	3.6
206.08679	1.8
209.23645	2.1
211.07671	2.4
213.09206	34.1
214.09467	3.2
215.07156	1.9
217.08670	4.8
227.10742	3.2
229.08685	36.3
230.09137	4.0
245.08086	2.0
245.11836	18.1
246.12019	2.1
247.09868	2.5
257.08206	46.6
258.08490	2.9
289.07584	3.9
289.10855	77.1
289.17914	2.2
290.11304	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	289.1083
Annotation	Aposphaerin C
Peak:m/z	Relative Intensity
52.43713	0.9
59.01377	1.1
62.23204	0.9
63.50227	1.4
65.00329	1.6
67.01898	1.3
70.35066	3.5
70.66784	0.9
70.99672	0.8
81.03443	3.5
83.01382	1.9
85.00617	0.9
93.02921	1.8
93.03461	19.6
94.03783	1.1
97.02954	1.3
105.07095	4.4
106.04208	1.2
107.05029	10.4
121.02953	1.5
122.03729	1.1
123.04517	2.6
131.05034	1.3
132.05838	1.5
133.06601	69.5
134.06908	2.7
135.04523	4.0
135.08112	1.1
145.02913	1.4
145.06616	1.8
147.04509	1.9
147.08136	3.1
151.89594	1.1
163.04012	2.0
176.08527	1.1
177.05586	3.1
177.09225	1.2
184.74841	0.9
191.03522	5.1
192.04272	1.6
199.03690	1.4
201.12860	2.0
205.08778	1.9
205.15938	4.8
215.10754	2.7
217.12289	5.7
245.11827	23.3
245.19081	20.0
246.11934	1.6
246.19498	2.3
247.17004	7.4
257.08215	3.1
275.09366	1.3
283.88773	1.0
289.10880	61.7
289.18082	100.0
290.11136	4.4
290.18488	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13786	0.4
57.03437	0.5
59.01395	1.0
65.00342	0.9
65.03983	0.6
65.53696	0.4
67.01914	1.0
69.03471	0.5
69.92850	1.9
71.01385	1.0
74.34419	0.3
79.05542	1.0
81.03468	3.7
82.87759	0.3
83.01409	1.2
93.03465	12.0
95.01405	0.3
95.05038	0.7
97.02959	0.8
97.30179	0.3
103.05582	0.5
105.07104	2.7
106.04289	1.1
107.05032	7.5
108.02199	0.7
115.05527	0.4
119.05050	0.9
121.02986	1.1
121.06618	0.8
122.03761	1.6
123.04531	2.9
131.05051	0.7
132.05788	0.9
133.06606	42.8
134.03737	0.4
134.06975	1.4
135.04523	3.4
135.08188	0.5
136.05304	0.6
141.07147	0.8
145.03021	0.5
145.06589	1.7
146.07425	1.0
147.04535	1.1
147.08183	1.6
157.06645	0.4
159.04436	0.4
159.08327	0.4
162.76874	0.4
163.04076	1.1
171.08212	0.6
173.02493	0.7
175.04091	0.5
177.05569	2.1
177.09319	0.6
185.06099	1.3
185.09717	0.6
185.79747	0.4
189.09207	0.7
191.03513	2.9
192.04274	0.6
195.98367	0.4
199.03796	0.5
201.12950	1.4
205.08772	1.6
205.15984	6.3
213.09322	0.7
215.10789	0.9
217.08710	2.3
217.12349	2.8
238.27690	0.4
245.11850	12.8
245.19107	21.3
246.12251	1.2
246.19489	1.1
247.17076	8.0
247.19386	0.3
257.08215	2.3
258.08359	0.5
261.18674	0.7
271.17062	0.5
272.39066	0.4
275.09348	0.9
289.00018	0.6
289.10904	34.9
289.18094	100.0
290.11234	2.9
290.18466	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	289.1084
Annotation	trans-Resorcylide
Peak:m/z	Relative Intensity
55.01866	1.6
59.01377	0.7
65.03982	0.6
67.01894	1.7
69.55103	0.5
70.90911	1.4
71.01367	0.6
75.00857	0.6
77.53952	0.5
80.02689	3.2
82.50756	0.4
83.74155	0.4
87.04523	1.5
88.98785	0.7
93.03469	3.1
97.02956	1.5
103.05567	0.7
105.03444	0.8
106.04220	0.8
107.05032	2.6
108.02179	1.2
109.02959	0.8
117.03468	0.6
119.05025	1.8
121.02956	2.5
121.05775	0.9
121.06598	9.7
122.03751	0.6
123.04531	1.4
130.04245	1.1
131.05013	3.4
133.06593	8.6
134.06879	0.8
135.04553	3.6
141.07114	0.7
145.02910	0.7
145.06601	0.7
147.04509	1.6
147.08223	0.5
149.02434	1.2
157.06581	1.0
159.04539	1.4
163.03926	2.5
164.04771	2.2
165.05588	1.2
169.10231	0.9
173.02649	0.6
176.04822	0.6
177.05493	0.6
183.08203	0.7
185.06071	1.2
185.09680	3.2
191.03526	5.8
191.05273	0.6
191.05586	0.7
191.07133	7.5
192.04210	1.7
199.03838	0.7
201.05403	0.5
205.08694	0.8
211.07709	0.9
213.09186	7.6
214.09595	0.7
217.08620	1.5
217.12206	0.7
227.10770	0.7
229.08781	0.6
245.11850	9.6
245.19057	1.8
247.13264	0.5
257.08331	0.6
289.10825	100.0
290.11157	8.8
290.18588	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
60.68295	0.7
65.04008	0.5
71.01387	4.5
72.94786	0.5
79.33567	0.6
91.05509	1.0
93.03461	1.6
93.48346	0.5
97.06605	1.5
107.05048	2.2
108.02190	8.8
109.02970	1.4
117.03471	1.4
118.51053	0.5
118.96719	0.5
119.05031	4.0
121.02971	13.3
122.03750	30.4
123.00908	1.4
123.04037	0.6
124.01662	4.7
129.03493	1.6
133.02950	0.8
134.03761	3.5
135.04530	21.1
136.01669	13.1
136.02725	0.8
136.05122	0.6
145.02963	7.0
146.03764	7.6
147.04541	11.7
148.05330	15.2
149.05980	0.7
150.03241	1.8
151.04070	0.7
156.05800	0.7
159.04538	1.0
160.05363	1.5
161.02412	2.0
161.06067	1.6
162.03229	2.2
162.06850	4.6
163.04013	22.4
164.04483	1.3
172.05339	1.0
173.02472	4.8
173.06097	1.0
174.03259	4.2
174.06857	1.2
175.03914	0.8
176.04785	1.6
177.09216	100.0
178.09544	5.4
185.06139	0.6
187.07668	1.6
188.04790	1.2
188.08414	3.1
189.05548	0.9
189.09119	0.7
190.02753	1.0
191.03506	58.4
191.10777	1.7
192.04259	13.5
194.05789	0.7
199.11414	0.6
201.09184	0.9
203.10812	1.6
204.04277	0.8
205.08701	84.0
206.09052	4.7
215.10861	1.3
217.08774	1.7
217.12314	17.5
218.12621	0.7
227.10771	0.7
231.06631	1.1
242.05685	0.6
243.10252	1.7
245.08185	0.6
245.11925	4.2
248.56091	0.7
261.11343	10.0
271.09766	2.2
289.07611	1.2
289.10843	23.2
290.11176	1.9
314.24823	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1607
Annotation	Lycoramine
Peak:m/z	Relative Intensity
58.02978	0.5
59.01377	0.8
60.56263	0.2
63.81075	0.2
69.83257	0.2
70.89529	0.5
73.59610	0.2
79.44861	0.3
81.03455	1.6
92.05055	1.1
93.03459	2.1
99.36102	0.2
107.03778	0.7
108.02189	0.7
108.04561	5.2
109.02964	5.4
121.02973	0.8
124.01669	0.3
133.06673	0.2
134.02489	36.9
135.03300	9.1
135.04407	0.3
136.04051	40.5
137.02490	1.4
137.04411	1.0
137.31657	0.3
141.07730	0.3
147.04515	0.4
148.04053	1.0
149.04842	1.3
163.04051	0.3
176.03540	4.8
177.04179	0.6
181.03856	0.4
190.05110	0.6
191.03497	1.1
192.04167	0.3
203.62621	0.3
204.06747	0.4
233.77237	0.3
270.14951	0.4
288.16061	100.0
289.16379	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	288.9993
Annotation	Phelligridin J
Peak:m/z	Relative Intensity
59.01381	1.2
61.78522	0.5
70.23887	0.5
71.01415	0.9
71.61134	0.6
73.02955	0.5
75.00874	3.4
87.02418	1.3
93.03464	0.8
109.02975	0.9
117.03467	1.8
119.01400	7.7
121.02962	1.6
123.04511	0.6
133.02963	19.2
134.36571	0.4
134.94502	0.4
135.04529	0.6
139.04005	2.3
143.55548	0.5
145.02946	8.4
147.00865	2.5
149.02444	5.5
157.02919	1.1
160.01688	1.0
161.02452	26.4
161.10899	0.7
162.02806	0.9
163.04039	3.9
173.02441	7.2
173.06035	1.4
174.03088	1.0
175.00319	3.4
175.03960	0.7
179.03545	2.7
181.65437	0.4
187.04027	1.3
187.07622	0.6
189.01950	44.2
190.02322	1.8
191.03577	0.8
194.79466	0.5
200.47464	0.4
201.01947	8.4
202.99855	3.4
215.07080	1.2
217.01427	61.4
217.13417	1.4
218.01735	3.4
227.07233	0.7
231.02974	1.6
243.93221	0.5
245.00929	14.4
245.08261	1.1
245.12950	1.8
246.01187	0.8
260.30637	0.5
288.99915	100.0
289.10748	1.3
289.16522	0.9
290.00272	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	289.0719
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
57.03448	5.8
59.01366	1.2
67.01883	0.8
67.76564	0.6
69.03447	2.1
71.01374	2.6
71.61902	1.0
73.02950	1.1
75.00873	5.1
80.02707	1.2
81.03460	5.8
83.01394	5.9
83.05035	0.7
85.89690	0.6
93.03468	3.7
95.01407	1.6
95.05037	8.7
97.02958	14.3
108.02174	2.2
109.02956	54.1
110.03310	0.9
121.02959	5.8
122.03730	2.8
123.04531	33.2
124.04848	0.9
125.02448	32.5
126.02769	0.9
133.03062	0.7
135.04517	4.1
137.02446	17.9
137.93265	0.7
138.03229	1.5
139.04013	6.3
143.05029	1.3
145.02957	2.5
146.03735	2.9
147.04485	1.7
149.02461	8.1
150.03183	2.2
151.04007	14.6
157.06577	1.2
159.04532	7.3
160.05284	3.9
161.02402	2.6
161.06104	8.4
162.03252	2.6
163.00470	0.8
163.03952	2.0
164.01138	6.6
165.01939	6.3
166.02596	1.0
167.03491	2.8
167.53125	0.7
167.81358	0.8
172.05217	1.0
173.06133	3.2
174.03256	1.9
175.04033	3.5
175.07648	2.7
176.04723	0.8
177.05559	1.4
177.09241	1.2
179.03487	11.9
184.05162	0.9
185.06078	1.8
186.06851	1.0
187.04004	7.6
187.07652	2.3
188.04774	7.0
189.05597	0.8
189.09361	1.1
199.07623	1.4
201.05617	2.8
201.09218	1.3
202.06346	4.2
203.03604	1.2
203.07150	22.5
204.07491	2.0
205.05045	14.6
205.08736	2.5
206.05385	0.8
212.04805	1.4
215.07170	2.8
217.01447	0.7
217.05142	1.3
217.08702	2.4
218.05687	0.8
221.08200	6.4
227.07239	3.3
230.05865	1.6
231.02934	1.9
231.06586	2.1
245.08182	36.8
246.08556	3.1
247.06175	1.9
271.06128	1.5
289.07202	100.0
290.07605	8.9
290.10812	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2389
Annotation	Prosopinine
Peak:m/z	Relative Intensity
59.01378	0.5
70.02972	1.3
70.14411	0.4
70.14698	1.9
74.06115	2.1
83.05053	1.0
98.20580	0.4
117.07150	0.6
118.05058	0.9
124.56778	0.3
184.08887	0.5
187.07629	1.1
199.07697	0.4
225.09221	0.5
240.23340	2.4
242.21255	1.6
242.24878	0.5
243.10248	10.2
268.22824	0.8
269.79932	0.4
286.23874	100.0
287.09167	1.7
287.16522	0.6
287.24243	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	287.0927
Annotation	6-Deoxydihydrokalafungin
Peak:m/z	Relative Intensity
51.82225	0.4
56.45024	0.4
59.01379	1.0
62.67713	0.4
70.64058	1.4
75.00859	1.0
79.05552	0.6
81.03461	0.8
83.05030	6.2
85.74743	0.5
91.73328	0.4
93.03484	0.4
97.02959	0.5
104.07769	0.4
107.05045	1.8
117.07098	1.7
121.02944	2.3
125.02473	0.6
133.02902	0.8
134.03751	1.0
141.07187	0.6
143.04935	0.5
145.02974	0.9
149.06071	2.6
155.08669	0.8
159.04506	1.3
159.08133	0.9
161.02422	0.8
166.02737	0.7
169.06557	0.9
171.04497	0.9
173.06090	0.6
175.03949	0.8
183.08128	1.6
184.08949	2.2
185.06038	1.1
187.07639	11.7
188.08000	0.5
199.07593	2.5
200.08424	4.3
201.05655	0.7
213.09351	0.5
215.07169	0.9
215.10829	1.0
225.09239	2.9
228.07813	2.3
243.10255	100.0
244.10617	7.5
287.09262	19.2
287.16284	1.3
287.89932	0.5
288.09625	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0619
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
58.79490	0.4
59.01381	1.7
65.00336	0.5
67.73167	0.4
69.93731	2.4
71.01390	2.6
72.99311	0.7
73.02946	0.8
75.00889	2.2
81.03448	1.0
85.02962	1.0
89.02457	0.8
91.01907	0.7
93.03458	0.7
95.01400	0.6
95.05026	3.2
101.02447	1.9
107.24836	0.5
108.02190	8.3
109.02961	96.5
110.03272	2.8
113.02455	1.3
119.03638	0.5
121.02995	0.5
122.03741	0.8
123.00919	1.7
123.04534	40.2
124.01658	0.7
124.04833	1.1
135.04559	0.7
137.02469	0.6
151.04025	0.6
152.01163	13.5
153.01947	100.0
154.02266	2.7
161.02466	1.1
161.04568	0.7
165.02010	0.5
165.05591	1.0
269.96634	0.4
284.26758	2.9
285.06186	74.9
285.27069	1.4
286.06558	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	285.077
Annotation	Phyllodulcin
Peak:m/z	Relative Intensity
54.68072	0.9
59.01394	1.3
60.35728	0.7
65.00323	1.2
67.24149	0.8
68.99823	4.8
69.46996	4.2
69.47401	1.7
73.89640	0.7
78.95911	17.1
83.05037	0.7
87.00906	0.8
93.03477	1.1
97.60245	0.8
99.00897	1.2
100.49176	0.7
133.17017	0.8
143.05025	2.0
145.06587	0.9
151.00481	0.8
153.07153	3.4
155.08676	1.0
157.06589	1.8
163.05435	0.7
164.18884	0.8
169.06581	3.1
171.04501	2.7
171.08156	14.9
180.05838	4.3
181.06607	19.1
182.07281	2.8
183.08165	2.6
185.06105	3.8
186.06776	1.0
197.06033	4.4
209.06107	6.2
213.05634	2.0
213.09253	6.6
225.05582	7.5
226.06244	0.8
227.07150	14.1
227.10764	2.1
228.07457	1.4
229.05046	1.5
241.08720	100.0
242.09096	7.1
243.06612	1.2
253.05087	9.5
257.08264	2.0
259.09753	9.1
284.26834	7.8
285.04105	19.0
285.07703	61.4
285.12677	1.7
285.20587	1.1
285.27142	5.5
286.04886	1.1
286.08041	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2072
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
57.03452	0.8
59.01379	0.7
70.21769	1.1
70.22182	1.4
72.18598	0.5
82.30960	0.4
85.10477	0.5
90.81130	0.4
111.81512	0.4
207.70750	0.6
221.19122	0.6
223.20671	65.7
224.20990	4.1
241.21750	1.7
267.19656	37.2
268.19980	2.4
285.04105	6.7
285.20712	100.0
286.21115	8.1
308.44904	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0618
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
60.46019	0.4
63.22758	0.3
64.33465	0.4
69.30170	2.9
69.30579	0.9
81.03468	0.5
93.03474	0.6
93.05273	0.4
101.72406	0.4
104.59548	0.4
107.05052	0.4
108.02185	100.0
109.03005	13.9
110.03274	0.6
118.35803	0.4
119.02703	0.5
121.02958	0.9
123.00855	0.4
123.04530	3.1
133.02975	0.8
135.00877	0.7
135.04520	0.5
151.04005	1.2
151.74219	0.4
152.01164	61.4
153.01953	31.1
154.02304	1.2
161.02432	0.4
163.04034	1.4
165.01939	1.2
202.64026	0.4
250.60269	0.6
276.56647	0.4
284.26819	0.9
285.06180	60.4
286.06555	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	285.0406
Annotation	Luteolin
Peak:m/z	Relative Intensity
52.67097	0.1
63.02405	1.5
65.00320	0.7
65.03977	0.4
67.01911	0.2
69.45087	1.1
74.97513	0.1
79.01900	0.3
80.18139	0.1
83.01389	0.8
91.01891	1.6
91.38932	0.1
93.03457	6.0
94.03730	0.2
95.01403	0.3
107.01396	3.9
108.02206	0.4
109.02953	2.2
115.05512	0.3
115.09693	0.1
117.03473	2.1
118.03832	0.1
119.01392	0.6
119.05051	0.2
120.02152	0.1
121.02930	0.3
123.00916	0.3
124.01691	0.2
129.03500	0.1
129.07132	0.1
130.04237	0.7
131.05028	1.5
132.02188	0.3
133.02954	0.3
135.00897	2.8
137.02437	0.8
141.07106	0.6
143.05031	4.4
145.02937	1.3
145.06593	0.7
147.00896	0.2
149.68436	0.1
151.00394	0.7
153.01955	0.8
154.04236	0.8
155.05045	1.0
156.05859	0.8
157.02916	0.2
157.06592	2.8
158.03760	1.0
158.06891	0.2
159.04518	5.5
160.04787	0.2
161.02467	0.6
161.06088	0.4
163.00359	4.6
163.01642	0.3
164.01022	0.3
165.01942	0.9
167.05045	1.6
168.05717	0.5
169.02945	0.3
169.06606	2.0
170.06960	0.2
171.04515	2.2
173.02396	0.5
173.06126	0.7
174.03215	0.4
176.77837	0.1
182.03653	0.7
183.04523	2.2
184.05165	1.1
185.02515	0.3
185.06073	6.6
186.03058	0.3
186.06300	0.3
187.03999	9.0
188.04355	0.5
189.05573	2.1
190.99951	0.4
192.00583	0.3
195.04491	1.6
196.05273	0.5
196.34721	0.2
197.06009	2.0
198.03259	0.5
198.06415	0.2
199.03996	1.6
200.04475	0.2
200.82228	0.1
201.05566	1.7
211.04010	4.1
212.04489	1.1
213.02245	0.3
213.05556	3.9
213.07565	0.2
214.02658	1.1
214.05878	0.2
215.03531	1.0
223.04024	0.7
224.04652	0.3
226.02777	0.2
227.03503	6.3
228.03844	5.7
229.05051	24.1
230.05351	1.6
239.03476	2.9
240.04227	1.7
241.05023	3.4
243.03040	1.0
255.02960	2.0
256.03372	9.8
257.04553	10.8
258.04819	0.5
267.02982	2.1
268.03613	0.3
282.47321	0.2
285.04001	100.0
286.04370	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	283.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77304	0.7
53.14862	0.7
54.12651	0.6
59.01384	30.1
68.45689	0.7
70.93233	1.2
70.93584	1.7
71.01399	1.4
72.53136	0.7
75.00881	4.2
82.29902	0.7
82.37637	0.8
87.00880	100.0
88.01214	1.3
89.02464	0.9
93.03465	1.4
96.96051	1.1
108.02182	1.8
109.02962	2.0
119.05029	4.7
121.02975	3.4
121.06564	3.5
123.04534	5.4
124.01638	1.8
134.03766	1.2
135.04524	12.0
136.05327	8.6
145.02936	3.2
149.06052	1.5
151.03984	2.7
151.07645	5.0
159.04532	0.8
161.02470	1.0
161.06143	1.9
163.04024	1.9
175.04044	0.9
195.06631	71.6
196.07001	3.5
221.08211	2.4
253.04965	0.8
283.05933	1.9
283.08328	10.7
283.11133	0.7
283.12439	0.8
283.15463	0.8
283.26428	52.3
284.26804	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	283.1704
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
54.35519	0.4
55.32503	0.5
56.46072	0.4
59.53374	0.5
70.53294	1.4
73.46655	0.5
94.13044	0.5
106.04247	0.7
107.05034	100.0
108.05357	2.9
123.04556	0.6
130.09396	0.4
163.11295	98.5
164.11630	4.1
165.78777	0.5
204.25703	0.5
209.12099	0.5
243.93634	0.5
283.17044	87.4
283.22968	2.9
283.26389	40.8
284.17392	7.5
284.26758	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	285.0407
Annotation	Kaempferol
Peak:m/z	Relative Intensity
51.24157	0.2
59.01376	0.4
59.97288	0.2
63.02406	1.0
65.00334	0.4
67.01915	0.2
67.20756	0.2
69.04093	0.2
69.30119	2.0
83.01401	1.1
91.01908	0.3
93.03460	2.6
93.32053	0.2
95.01402	0.7
98.19828	0.4
107.01392	1.8
108.02187	0.8
109.02941	0.8
117.03499	1.0
121.02943	0.3
123.00822	0.2
123.04495	0.3
131.05043	0.3
133.02939	0.6
135.00891	0.6
137.02469	0.7
138.76486	0.2
143.05040	1.6
145.02992	1.0
145.06602	0.2
151.00372	2.0
154.04288	1.0
155.04994	0.8
157.02924	0.3
157.06584	1.0
159.04526	1.4
161.02481	0.8
161.06161	0.3
163.00395	0.6
164.01131	0.5
165.01938	0.5
167.05005	0.9
168.05690	0.3
169.01395	0.4
169.06595	0.9
171.04536	1.3
172.04755	0.2
173.02457	0.5
173.06097	0.4
174.03139	0.2
175.04031	0.3
183.04521	0.5
184.05298	0.5
185.06139	2.0
185.07733	0.3
187.03989	1.9
189.05576	0.3
195.04533	0.4
197.06116	0.3
199.03952	0.5
201.05559	0.6
211.04016	1.5
212.04694	0.3
213.05551	1.1
213.49588	0.2
214.02632	0.7
215.03519	0.7
219.02863	0.3
223.13379	0.3
227.03528	0.9
229.05112	2.1
239.03548	1.7
240.04234	0.6
241.04924	0.4
241.14470	0.3
243.03004	0.5
251.99554	0.3
255.03056	0.7
256.03598	0.3
257.04568	0.9
268.03720	0.4
284.26767	1.7
285.04053	100.0
285.27094	0.9
286.04416	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	281.2487
Annotation	Petroselinic acid
Peak:m/z	Relative Intensity
52.79982	0.2
67.46433	0.2
70.12608	0.8
70.12971	0.4
91.80074	0.2
97.79173	0.2
109.02959	1.2
110.36214	0.2
130.04335	0.3
149.88905	0.2
161.02371	0.3
196.05045	0.2
223.97528	0.3
247.77444	0.2
281.24863	100.0
282.25232	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	282.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00318	0.6
52.93044	0.6
57.03472	1.0
59.01374	4.1
61.67526	0.6
68.01418	16.3
68.99821	2.1
69.03459	24.4
70.02978	2.9
70.63966	1.8
71.01387	3.1
72.99323	0.8
73.02946	0.8
75.00881	6.8
75.95410	0.6
81.02197	0.6
82.02988	0.7
83.01420	0.7
83.04605	0.9
83.05042	6.1
85.02936	1.8
93.03470	5.4
95.01404	1.1
97.02961	1.2
99.00903	1.4
101.02451	2.3
106.04265	0.7
109.01704	0.9
109.02968	7.1
110.02556	1.4
110.03297	5.0
111.00884	1.3
115.13701	0.6
119.05035	23.7
121.02972	1.4
122.02489	2.6
122.06130	5.9
123.03267	8.5
123.20782	0.6
124.04034	0.7
124.07703	0.8
129.58759	0.6
132.05811	0.9
135.03288	1.5
136.04030	0.9
136.07649	1.3
137.04872	3.4
137.05832	0.6
138.05621	100.0
139.04015	2.2
139.05966	3.0
141.01929	0.9
145.02972	3.1
148.07712	1.7
150.05571	0.7
150.09190	0.9
152.03508	0.9
152.07187	9.6
154.45427	0.6
158.07158	1.0
159.04539	0.8
162.02826	0.7
163.04015	22.9
164.07217	2.2
167.05884	7.4
176.07208	0.9
177.04337	0.9
178.96632	0.7
179.06003	1.3
180.06667	8.7
180.08089	0.9
192.06668	64.6
193.06970	3.2
202.08183	0.6
204.06685	1.3
209.06044	0.6
211.07643	0.9
237.09183	1.9
239.07011	0.7
239.10814	2.6
240.35287	0.6
249.06023	0.6
282.09863	48.2
283.06265	2.3
283.09772	16.5
283.15240	0.8
283.26419	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	283.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61612	0.8
59.01382	6.3
61.89736	0.9
69.97036	4.7
73.02948	1.2
75.00878	49.0
87.34954	0.8
106.35661	0.9
109.02957	5.7
110.03295	2.5
111.03406	2.5
117.03475	10.3
119.05030	3.1
121.02965	60.7
122.03291	2.1
134.02792	0.9
145.02962	100.0
146.03282	4.1
163.04083	1.0
181.05075	7.3
221.04520	8.9
251.24898	0.9
283.26480	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	281.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71549	0.1
51.76220	0.1
54.39891	0.1
59.01382	0.3
68.91425	0.1
69.53432	1.0
71.01389	1.2
72.99306	1.0
73.02966	0.3
75.00881	1.3
85.02950	0.6
85.33617	0.1
93.03482	0.8
96.96013	0.2
101.02477	0.5
105.02553	0.1
109.02959	6.5
110.03310	0.2
113.02445	0.5
117.03493	0.2
119.05033	100.0
120.05364	3.7
121.02917	0.2
135.04532	0.3
149.06105	0.2
159.03049	0.2
161.02489	0.7
161.04579	0.3
175.04024	0.2
189.09370	0.1
193.05043	0.2
205.12311	0.4
237.05614	0.2
237.11310	0.1
251.33858	0.1
260.23828	0.1
266.05817	0.2
267.00882	0.1
269.96210	0.1
281.04495	0.5
281.08096	0.6
281.13895	2.3
281.25006	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.6
59.01390	0.6
67.01881	0.6
69.03467	0.9
69.28040	3.5
71.05033	1.0
75.00882	0.4
80.02674	0.4
80.04609	0.4
83.01418	0.4
83.05050	2.8
86.90609	0.3
93.03487	0.6
97.06584	2.4
98.20645	0.7
99.08143	0.5
108.02229	0.4
108.05803	0.5
109.02958	4.6
109.06627	0.4
139.11314	0.6
161.02386	0.6
167.14436	1.1
169.15942	0.5
179.14510	0.5
185.82948	0.3
195.13916	1.3
195.17535	0.4
197.13655	0.5
197.15474	8.8
198.15768	0.8
207.17500	1.1
209.19122	2.4
219.17470	1.2
222.16185	0.5
235.17035	3.3
237.05598	0.4
237.18600	55.7
238.18987	4.0
239.16516	8.1
240.16986	0.5
281.17584	100.0
282.17960	8.6
293.22577	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.0
67.01884	0.7
69.03460	1.3
69.89825	2.9
71.05017	1.6
71.56870	0.5
77.51586	0.6
80.68472	0.5
81.42101	0.6
83.05024	2.6
85.06599	0.6
95.05013	1.0
97.06612	2.3
108.02181	0.6
109.02956	6.1
111.08148	0.6
113.09742	0.6
139.11287	1.1
141.08263	0.5
148.36742	0.6
151.96941	0.5
154.30850	0.6
160.94237	0.5
161.02409	0.5
167.14406	1.4
195.13841	1.1
197.15468	10.0
207.17522	1.5
209.19142	2.5
217.16045	0.9
219.17497	1.8
235.17001	3.8
237.18597	60.7
238.18919	4.9
239.16547	8.3
240.16914	0.8
250.25505	0.6
278.51437	0.6
281.17581	100.0
282.17880	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	279.2329
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
56.15775	0.7
66.99978	0.7
69.61903	4.8
76.32049	0.6
125.39067	0.6
129.18163	0.7
181.36926	0.6
190.52132	0.7
235.11043	0.6
279.23303	100.0
280.23645	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	281.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14888	0.7
63.32869	0.9
68.48370	0.9
69.87408	3.2
71.16547	0.8
75.00868	1.9
85.83988	0.8
109.02959	100.0
110.03292	4.5
118.99866	0.9
133.02979	2.0
135.04514	1.4
147.04437	1.6
148.73637	0.9
149.06056	3.1
151.03937	1.3
161.02467	8.4
193.05005	2.5
230.92239	1.1
241.91496	0.9
242.31462	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93596	0.9
51.99697	0.8
57.67224	0.8
58.11635	0.9
66.96581	0.9
69.36283	7.4
69.36669	1.5
72.60367	1.0
75.00854	3.2
100.84267	0.9
101.50568	1.1
108.02168	1.5
109.02954	100.0
110.03281	1.6
118.99852	3.1
133.02950	3.2
140.23160	0.9
149.06039	1.7
161.02454	12.0
179.03450	0.9
193.04993	2.3
244.04102	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84479	0.5
57.03442	1.4
58.66843	0.4
59.01375	1.4
71.01385	1.1
75.00880	6.4
75.20559	0.5
83.05027	1.3
85.02937	0.8
87.00883	2.6
90.22992	0.4
90.81898	0.4
93.03483	1.7
96.96013	1.0
108.02164	1.3
109.02962	50.9
110.03294	1.7
111.00851	0.6
118.99857	1.3
119.05062	1.2
121.02986	2.1
121.06589	1.3
123.08157	3.3
133.02971	2.6
134.03751	41.8
135.04425	1.6
137.02454	7.6
139.04021	2.3
145.02997	1.1
147.04539	1.2
149.06085	16.1
150.03239	1.0
161.02484	5.5
171.11826	3.3
173.02625	0.6
174.03224	0.5
175.04001	1.6
178.02740	32.9
179.03149	1.6
187.04071	1.0
189.12897	1.0
193.05080	100.0
194.05421	5.1
201.12903	1.4
203.61642	0.5
207.14030	0.8
211.58247	0.5
225.05670	0.6
229.61272	0.5
237.05605	0.9
237.14949	4.7
239.03482	1.1
247.58188	0.6
253.05188	0.7
281.04446	2.1
281.08099	3.5
281.13907	6.6
281.24847	0.9
282.04849	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1086
Annotation	Hymenoside W
Peak:m/z	Relative Intensity
55.01859	1.0
56.74731	0.8
58.00581	3.5
59.01380	100.0
60.01679	1.2
69.53218	5.7
69.53623	2.0
71.01382	54.5
71.04991	1.1
72.99318	4.8
73.02956	1.1
75.00904	1.1
80.96497	1.6
83.01395	3.3
85.02946	9.8
87.00864	2.5
89.02446	61.7
91.05543	1.0
93.03448	3.9
95.01395	3.6
95.60909	1.1
99.04521	9.0
101.02444	35.6
107.05027	1.5
113.02453	19.7
117.05557	5.5
119.03508	27.5
119.05016	3.9
129.03404	0.9
131.03468	1.6
135.04506	3.7
143.03502	3.2
145.06595	1.0
147.04564	4.8
149.04584	1.7
157.06720	1.1
160.66455	0.9
161.02426	1.6
161.04631	1.0
163.03986	1.5
165.05646	1.0
173.02330	1.1
173.06120	1.0
177.18135	0.9
179.05583	1.9
188.18205	1.0
237.41423	1.0
238.42853	1.1
279.10831	84.7
280.11237	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.124
Annotation	Penifulvin D
Peak:m/z	Relative Intensity
50.17369	0.9
59.01390	2.1
71.01387	0.9
71.61565	1.2
72.36800	0.8
74.22899	0.8
82.68696	0.7
86.74814	0.7
91.66351	0.7
94.49089	0.7
96.96072	0.8
121.06587	1.4
123.08128	1.3
147.04439	0.8
150.09116	0.8
157.10207	10.6
165.05457	1.0
173.13358	71.4
174.13638	4.1
177.09177	3.7
191.14384	1.8
205.12283	1.1
217.12387	1.6
221.08171	2.5
235.13396	100.0
236.13783	7.1
239.81548	0.8
261.11191	0.9
279.02911	3.7
279.06290	1.5
279.09665	1.3
279.12384	29.4
279.15100	1.0
280.12787	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	279.1967
Annotation	Juvenile hormone I acid
Peak:m/z	Relative Intensity
59.01348	0.5
61.98827	0.5
70.63149	1.1
74.40576	0.5
76.61754	0.5
83.76815	0.5
96.96006	1.0
103.27753	0.5
108.05543	0.5
134.28914	0.5
134.89450	1.8
136.89195	1.0
163.00385	0.6
195.17584	2.3
208.83528	0.5
219.02692	0.5
219.34911	0.5
225.54256	0.5
235.20676	100.0
236.21030	8.1
237.18604	16.6
238.18941	1.2
279.19681	50.0
279.23196	5.2
280.20090	3.6
280.22922	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2326
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
59.01369	1.1
61.98832	0.9
65.14883	0.4
69.38828	4.1
83.50831	0.5
90.50784	0.5
96.96001	4.2
110.30146	0.4
113.81282	0.4
115.92069	0.6
119.01344	0.5
137.42220	0.4
147.04503	0.6
163.03995	0.5
260.96872	0.4
279.02908	0.8
279.16946	3.3
279.23297	100.0
280.23666	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	279.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36568	0.7
55.01873	1.0
57.03477	0.9
59.01378	4.6
69.03456	2.9
69.52834	4.5
69.53242	1.7
71.01379	3.7
72.99319	1.0
73.02959	1.3
81.03467	1.3
83.01391	19.4
85.02955	2.3
93.03460	35.8
94.03819	1.1
101.02430	1.0
106.04230	4.1
107.05036	21.1
108.02190	0.8
108.05376	1.2
111.00905	1.8
113.02471	1.3
117.03473	7.6
119.05033	11.9
120.88986	0.7
123.04546	1.6
125.02439	1.9
130.04240	2.8
131.05046	5.0
132.05821	14.4
133.02975	2.1
133.06616	16.5
134.03737	10.1
135.04530	100.0
136.04807	4.6
141.44412	0.8
143.05035	1.7
145.03003	1.4
145.06575	9.1
147.04510	5.3
147.08163	2.5
149.06117	0.9
156.05788	5.7
157.06598	19.3
158.06943	0.8
159.04559	2.1
159.08133	2.1
160.05309	4.4
161.06073	3.4
163.04054	1.9
165.05577	19.7
169.06606	2.3
171.04538	2.6
171.08212	1.0
173.06082	7.7
175.04016	1.0
175.07635	13.5
177.05589	3.0
181.76857	0.8
187.07637	8.4
195.06627	11.5
199.07625	2.8
200.04796	2.7
201.05554	9.5
217.08652	5.5
235.09767	13.0
279.02612	0.8
279.08652	22.5
280.09091	2.9
287.07672	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	2.7
69.65124	13.7
71.01380	22.9
72.99291	2.2
75.00887	3.1
83.47911	1.7
89.02442	3.2
93.03453	5.4
94.07142	2.1
98.19952	3.9
115.00375	37.5
117.54365	2.1
119.05039	40.1
132.07069	2.2
133.01439	100.0
145.42772	2.0
147.04512	3.6
152.69939	2.2
163.04031	39.3
164.51575	2.1
196.89624	2.0
213.05438	2.6
215.51524	2.1
223.07666	2.5
241.03891	2.0
248.14107	2.0
251.03545	2.9
279.02945	24.6
279.06232	4.3
279.09549	2.7
279.12604	2.7
280.03726	3.2
300.72543	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	277.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.4
60.11858	0.6
61.98837	0.6
71.01388	1.5
71.61364	1.1
71.61723	0.7
87.03757	0.6
89.00306	0.8
97.06593	0.7
98.09514	0.6
102.63032	0.6
121.02920	0.9
125.79126	0.6
127.07630	0.7
127.09653	0.6
146.52681	0.6
171.51411	0.7
215.03531	0.6
233.11682	0.7
233.15404	0.7
233.22726	0.8
268.68634	0.6
277.18326	5.7
277.21719	100.0
278.22046	7.1
287.64435	0.6
294.14542	0.6
299.67517	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2172
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01380	2.2
70.05759	0.2
71.01378	0.6
83.05040	0.3
83.29790	0.2
103.39944	0.2
106.04966	0.2
127.07652	0.4
168.69550	0.2
233.19220	0.3
233.22751	0.5
252.95082	0.2
259.20715	0.5
275.20386	0.4
277.21710	100.0
278.22052	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19531	0.2
59.01380	3.4
61.98819	0.6
69.45874	1.1
69.46297	0.4
71.01376	0.5
75.37990	0.2
79.95733	0.3
83.05006	0.3
85.08201	0.2
85.95537	0.2
99.04520	0.2
109.02956	0.4
127.07648	0.4
134.89525	0.2
141.09303	0.2
172.79773	0.2
176.64093	0.2
205.15926	0.6
205.19505	0.2
233.19072	0.4
233.22667	1.0
241.79358	0.2
259.20618	0.6
275.20193	0.5
277.18356	5.3
277.21698	100.0
278.18387	0.7
278.22055	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2172
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01364	0.9
59.14756	0.5
60.54755	0.5
61.59321	0.4
62.29123	0.4
69.57714	0.5
70.37764	1.3
125.58397	0.4
155.58069	0.5
271.20807	0.5
275.20224	0.5
277.21725	100.0
278.22086	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	279.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
69.53727	6.0
71.01389	20.6
73.71173	0.7
75.02643	0.7
86.63182	0.8
93.03470	1.3
94.10786	0.7
98.20602	1.4
109.78020	0.8
115.00375	9.0
119.05035	64.1
120.05366	3.1
133.01453	5.0
133.43257	0.8
135.04619	0.7
142.83719	0.7
156.16791	0.7
163.04016	100.0
164.04372	2.7
279.02969	4.1
279.06583	2.3
279.09912	1.4
298.33734	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1663
Annotation	Fissoldhimine
Peak:m/z	Relative Intensity
59.01382	6.9
60.97503	1.1
61.98824	1.4
67.21455	0.4
71.01376	0.6
71.02655	0.8
75.96207	0.4
86.80766	0.4
86.95983	0.3
89.00344	0.5
103.02212	0.7
109.02946	1.4
116.92887	0.7
121.03243	4.1
134.89478	1.0
146.99345	0.9
147.08473	5.2
149.01001	0.5
153.56433	0.3
160.98824	0.6
163.02650	0.4
165.00447	12.5
166.00464	0.6
180.99931	1.4
189.04080	1.6
191.05658	10.5
192.05913	0.7
205.07190	1.0
205.15971	1.3
207.05148	1.3
217.07190	0.7
231.08751	1.8
233.10347	100.0
234.10455	7.4
241.79260	0.4
259.15512	1.1
268.00812	0.4
277.16501	85.4
277.21710	7.7
278.16653	8.1
278.21692	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.8
69.13884	0.3
70.58674	0.3
71.01386	1.2
72.97818	0.4
98.19836	0.9
108.43908	0.3
111.12708	0.4
113.80038	0.4
118.06520	0.4
121.02956	0.4
152.23218	0.3
189.91177	0.4
229.56102	0.3
255.98744	0.4
271.04266	0.4
275.20071	0.5
277.21722	100.0
278.22046	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2017
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
56.94767	1.0
59.01391	6.4
69.49612	8.2
86.35319	1.2
93.74691	1.1
98.19877	2.3
103.23409	1.0
125.83291	1.2
134.89464	1.1
177.16414	1.7
187.03947	1.8
200.46651	1.1
231.21143	7.2
275.02121	2.1
275.16974	3.4
275.20151	100.0
276.20496	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	276.9182
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79766	0.3
62.19093	0.4
66.76354	0.4
70.06093	1.7
71.23180	0.4
78.95908	24.9
79.95731	0.9
96.96019	12.7
96.96972	6.6
98.20600	0.4
134.96126	0.6
134.97072	1.4
136.94014	100.0
137.94090	6.2
154.95070	0.5
158.92574	0.7
176.98083	0.9
178.95020	2.0
179.01186	1.2
197.40964	0.4
208.88506	0.4
216.89682	85.4
217.89764	4.8
234.90741	25.0
235.90862	1.5
247.87221	0.5
276.89023	0.5
276.91891	1.8
276.98813	18.2
294.85181	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1082
Annotation	Tanaparthin alpha-peroxide
Peak:m/z	Relative Intensity
50.27431	0.9
59.01373	1.7
61.82625	0.8
69.03485	0.9
71.01375	1.0
71.61401	1.0
71.61841	1.3
73.02943	0.9
74.80593	0.8
75.00848	1.1
83.05028	1.7
87.00892	1.0
89.00354	1.1
91.05546	1.0
95.05067	1.9
97.02953	3.8
97.06615	1.6
105.07123	1.5
107.04997	1.0
109.06573	1.9
133.06566	0.9
135.04521	1.1
135.08182	1.4
147.08167	1.4
159.11809	13.5
160.12068	0.9
161.09698	1.4
165.66139	0.9
189.12813	2.5
203.10799	1.2
217.85950	0.8
222.23608	1.0
233.11839	40.3
234.12190	3.1
245.30331	0.9
255.14285	1.0
277.10822	100.0
277.14215	3.5
277.21616	5.7
278.11203	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	275.0775
Annotation	Ranunculin
Peak:m/z	Relative Intensity
52.39579	0.7
53.00758	0.7
53.36093	0.7
54.20247	0.7
55.01871	1.9
57.03183	1.2
57.03453	17.3
59.01374	4.8
64.47978	0.8
69.87974	2.8
69.88393	1.6
71.01389	26.5
72.99326	1.4
73.02956	8.6
74.12651	0.8
75.00882	2.3
83.01400	2.7
85.02965	13.4
87.00882	1.1
89.02454	1.7
91.00060	0.8
95.01384	1.8
99.00883	4.6
101.02455	13.7
109.02948	1.8
111.00809	1.0
113.02460	100.0
114.02758	2.7
130.11409	0.8
131.04990	0.8
143.03476	1.1
147.04456	0.8
158.03705	1.4
159.02979	3.1
159.04559	2.4
161.04578	13.1
165.29518	0.8
174.05576	0.8
175.02545	1.6
216.98476	1.3
218.04648	1.0
231.06493	1.1
233.01225	1.1
267.31946	0.7
274.99432	0.7
275.02429	2.4
275.07651	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	275.0927
Annotation	Ascochitin
Peak:m/z	Relative Intensity
55.43761	0.8
57.03452	0.8
93.03461	3.4
95.05011	0.9
97.02952	2.4
105.07112	1.7
106.04244	2.7
107.05046	2.3
119.05027	1.0
121.02919	1.1
133.02934	1.3
133.06610	18.7
134.03775	2.0
143.44284	0.9
149.06042	1.5
159.08159	4.0
159.27347	1.0
169.10217	1.4
177.05612	2.3
187.11301	13.4
191.07181	1.9
203.07153	2.4
213.09297	1.2
231.10269	59.9
232.10655	3.4
257.08154	3.1
275.09250	100.0
276.09509	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	275.1652
Annotation	[6]-Shogaol
Peak:m/z	Relative Intensity
53.39727	0.2
57.03464	0.3
59.01375	0.2
63.99549	0.2
65.00341	0.8
69.76561	0.9
72.40750	0.2
79.05536	0.4
81.03461	3.6
83.01380	1.1
83.05034	0.3
95.05033	0.3
106.04286	0.2
109.02970	0.5
109.06702	0.2
121.02966	0.3
121.06617	0.5
122.03764	1.1
123.04548	2.5
123.08138	0.2
133.06609	2.3
135.04543	1.5
136.05325	0.4
145.06601	1.0
146.07393	0.8
147.04527	0.5
147.08136	0.4
148.05362	0.2
165.12801	0.2
167.14435	0.3
175.11266	0.2
189.16518	0.6
191.14433	5.5
192.14774	0.4
203.14432	0.4
205.15935	0.2
207.17636	0.3
213.16447	0.2
217.78357	0.1
223.15666	0.1
229.16084	0.2
231.17548	22.8
232.17929	1.3
233.15475	9.4
233.17622	0.3
234.15810	0.5
247.17155	0.7
257.15445	0.5
275.16525	100.0
276.16858	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	271.228
Annotation	Unknow
Peak:m/z	Relative Intensity
74.05665	0.2
91.86075	0.2
97.58421	0.2
98.19834	0.5
111.00867	0.2
158.37756	0.2
159.15974	0.2
209.19063	0.3
211.20749	1.6
225.22305	1.4
240.36139	0.3
253.21753	1.4
269.21130	0.8
271.22794	100.0
272.23120	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	271.228
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
57.04234	0.2
69.26072	1.7
131.34137	0.2
147.75433	0.2
208.05299	0.2
223.20660	0.2
225.22235	4.0
226.22633	0.3
228.82321	0.2
253.21762	1.6
269.21194	0.8
271.22775	100.0
272.23126	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	271.228
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
51.24139	0.3
55.01886	0.3
56.74488	0.3
64.67799	0.3
66.59812	0.3
70.51880	0.3
70.57804	1.0
75.09499	0.3
84.02176	0.3
86.20572	0.3
101.01348	0.3
101.68227	0.3
108.33945	0.4
128.44638	0.3
153.18031	0.3
153.19260	0.3
197.19090	1.1
221.19083	0.8
223.20662	4.2
224.21082	0.5
225.22235	60.3
226.22614	3.9
253.21825	1.5
269.21161	0.8
271.22784	100.0
272.23126	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	271.2281
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
50.88939	0.4
52.77811	0.4
56.43556	0.4
57.51816	0.4
57.91518	0.4
59.01395	0.5
71.61720	0.7
72.02679	0.4
108.02177	0.4
140.12651	0.4
151.00378	0.4
209.19061	1.3
225.22240	4.5
253.18068	1.6
253.21716	1.7
269.21384	0.8
271.02478	0.5
271.19418	4.6
271.22778	100.0
272.23148	6.9
291.83298	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26339	0.3
61.39978	0.3
65.34805	0.3
72.98671	0.3
73.33154	0.3
75.00848	0.3
76.53475	0.3
98.19836	0.6
105.17279	0.3
121.98633	0.3
181.16013	0.5
183.17531	1.0
191.26427	0.3
193.15971	5.7
209.15480	1.8
211.17036	25.3
212.17377	1.6
227.16533	39.8
228.16885	2.4
237.14848	0.4
255.15993	4.0
273.17081	100.0
274.17413	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	271.1915
Annotation	Alismorientol A
Peak:m/z	Relative Intensity
57.03461	0.5
66.91307	0.4
71.09010	0.7
72.24824	0.5
83.81514	0.4
84.27447	0.4
103.06553	0.5
105.55849	0.4
109.24541	0.4
207.17651	0.7
209.19113	58.2
210.19504	3.7
227.20155	1.7
251.86324	0.4
253.18098	43.7
254.18428	2.6
271.19165	100.0
271.22647	9.5
272.19473	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	271.1916
Annotation	Rupestrinol
Peak:m/z	Relative Intensity
53.89495	0.3
57.03457	3.6
62.57433	0.4
69.03463	1.2
70.91300	0.5
72.99291	0.5
75.62348	0.4
77.74658	0.3
83.05009	0.6
84.02145	0.4
86.84006	0.4
98.10862	0.3
121.03000	0.3
137.02509	0.4
172.43172	0.3
180.39090	0.3
181.15994	0.6
197.15442	0.9
197.19141	3.9
209.15466	0.6
221.15492	0.5
223.17081	2.1
225.18604	48.3
226.18976	3.1
253.18053	0.8
261.67316	0.4
271.19159	100.0
272.19522	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.0
61.49299	0.5
65.03967	2.4
67.48772	0.5
71.60475	0.5
71.60841	0.9
75.00887	1.0
81.03480	0.8
90.48460	0.5
93.03468	11.4
95.05013	1.3
108.02151	1.2
109.02961	14.7
110.03291	1.2
121.02965	55.9
122.03298	1.2
123.04524	1.3
128.04977	0.5
133.02924	1.2
134.03726	1.3
135.04533	10.5
136.01675	5.2
137.02483	4.6
139.04028	2.4
143.05022	4.1
145.02957	1.2
149.02452	42.6
150.02831	2.1
159.04501	1.1
161.02438	10.6
162.03239	2.4
163.04002	1.7
169.06607	1.2
174.01709	1.6
174.03226	0.6
179.04945	0.6
180.05833	0.9
181.06616	1.6
183.04515	1.7
185.06027	0.8
195.04610	0.9
196.05347	1.4
197.06075	5.9
199.04015	0.8
199.07535	1.4
200.04741	1.3
208.05325	0.9
209.06044	2.0
213.05562	1.5
215.07086	1.1
224.04907	3.0
225.05556	13.9
226.06180	0.8
227.03439	1.6
227.07181	2.2
228.04202	0.9
235.03809	0.7
239.03525	4.0
241.05057	4.2
241.53668	0.6
242.05876	7.8
243.06580	6.0
253.05072	29.9
254.05544	2.0
255.03020	5.0
256.03812	9.1
269.04691	0.6
271.06119	100.0
271.19049	1.0
272.06400	5.7
272.43539	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0977
Annotation	Cordiaquinol I
Peak:m/z	Relative Intensity
51.71132	0.4
52.80780	0.3
54.31689	0.3
59.01388	0.5
68.99809	0.5
69.03455	1.0
71.01381	1.7
71.61154	0.4
83.01371	0.4
85.02956	1.6
93.03443	0.7
97.02935	2.3
100.94940	0.3
107.52004	0.4
107.59483	0.4
109.02944	1.2
121.02922	1.9
124.18519	0.3
146.03743	0.7
149.06056	0.9
155.05052	0.4
158.03772	0.8
159.04568	1.9
161.02402	0.6
161.06076	0.5
163.07779	0.5
169.06537	0.7
170.03694	0.5
171.04533	1.3
171.08258	0.4
172.05313	6.8
173.06046	2.4
173.09787	0.6
174.03185	0.8
174.06818	0.8
175.07626	1.4
183.04529	1.1
183.08269	0.4
184.05322	0.5
185.06110	6.8
186.06865	4.3
187.04073	1.1
187.07652	19.3
188.08002	1.1
189.05573	0.7
195.04527	0.7
196.05309	3.9
197.06071	14.3
198.03142	1.8
198.06747	4.3
199.04048	2.2
199.07637	4.7
199.11288	1.4
200.04802	1.9
200.08418	1.2
201.01886	0.4
201.05524	0.7
201.09213	7.3
202.06404	0.4
202.09546	0.7
204.04236	0.7
209.06050	0.9
209.09688	0.5
210.06859	0.9
211.04012	1.3
211.07658	5.5
212.04848	3.0
212.08318	1.1
213.05573	9.7
213.09070	2.7
214.02740	1.3
214.06329	4.2
214.09865	0.4
215.07088	0.7
215.10774	2.4
223.07741	0.4
224.04768	7.0
224.08417	0.6
225.05586	2.9
225.09204	4.7
226.09885	0.5
227.03674	1.8
227.07265	4.6
227.10767	14.2
228.07867	3.3
228.11142	0.7
229.01306	0.4
229.08685	2.4
237.05537	0.8
238.06406	0.9
239.07002	0.7
240.04326	1.4
241.05067	6.9
241.08717	2.6
242.05852	13.5
242.09418	2.3
243.02969	0.6
243.06300	1.2
243.10242	13.0
244.10495	0.5
248.93925	0.4
252.07912	0.4
253.08691	9.0
254.09232	0.5
255.06596	0.6
256.07333	0.8
259.73727	0.4
269.08160	1.9
271.02615	7.4
271.09756	100.0
272.10114	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	271.0614
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
51.85175	0.7
51.85446	0.5
58.85212	0.6
59.01367	1.2
65.03961	2.5
67.01876	1.1
70.76449	1.3
71.01401	1.2
75.00866	3.5
75.38567	0.7
79.25077	0.8
81.03432	1.0
83.01405	0.9
85.02945	1.3
87.04510	0.7
93.03465	10.6
93.48873	0.6
95.01366	0.8
95.04999	1.0
108.02176	2.9
109.02960	19.5
111.01001	0.6
119.05024	0.8
121.02966	55.0
122.03289	1.2
123.04510	4.8
125.02380	0.6
132.02094	0.7
133.02953	2.1
134.03773	1.4
135.04529	10.6
136.01668	5.0
137.02452	9.4
139.04024	3.0
139.05550	1.3
145.02977	0.9
147.04517	1.4
148.01631	0.7
149.02458	45.6
149.06039	1.8
150.02863	1.1
159.04526	1.1
161.02478	9.5
161.06146	1.1
162.03281	3.3
163.04053	1.6
164.01140	3.4
165.01900	1.2
167.04984	0.7
169.06612	1.7
172.05241	1.0
174.03214	0.9
175.04015	0.8
180.05865	0.9
181.06647	0.8
183.04456	1.2
185.06133	3.3
187.04013	0.8
187.07643	2.7
193.05116	0.7
196.05363	1.3
197.06030	5.2
198.06798	0.9
199.04028	1.1
199.07648	1.6
200.04788	1.0
201.01901	0.7
201.09370	0.9
203.07188	1.1
208.05310	1.8
209.06050	2.5
211.03995	2.1
211.07608	1.6
213.05547	2.3
213.09200	1.8
215.07079	1.0
224.04773	4.0
225.05585	13.7
226.06207	1.2
227.03522	6.5
227.07138	2.7
227.10771	2.0
228.03989	1.0
228.10179	0.6
229.04831	0.8
239.03464	4.0
241.05058	4.3
242.05849	8.2
243.02817	0.8
243.06607	7.2
243.10336	1.3
252.04457	0.8
253.05075	29.6
253.08893	1.3
254.05524	2.6
255.03004	5.4
256.03757	7.7
271.06137	100.0
271.09653	11.2
271.19217	1.7
271.22736	1.7
272.06519	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03963	2.5
66.26271	0.5
69.30309	5.6
70.38239	0.6
81.03450	0.6
90.53445	0.6
93.03464	13.0
95.01492	0.7
95.05038	0.8
108.02189	1.8
109.02959	13.4
112.68560	0.7
121.02963	53.9
122.03318	1.2
125.74948	0.6
133.02870	1.0
134.03680	0.7
135.04546	11.2
136.01668	5.3
137.02441	4.8
139.04015	2.7
143.04959	0.6
149.02449	47.4
150.02794	1.0
161.02449	10.5
162.03232	1.9
163.03973	1.4
169.06552	1.4
172.05179	0.9
173.06119	0.9
175.05655	0.7
180.05725	0.7
181.06573	1.5
183.04488	1.2
188.64226	0.7
194.02133	1.0
195.04422	0.7
196.05284	1.6
197.06087	4.5
208.05321	1.1
209.06104	2.1
211.03973	1.1
213.05539	1.1
215.07124	0.9
224.04800	2.6
225.05568	11.3
226.06194	1.6
227.03448	1.4
227.07004	0.8
228.04315	0.8
235.03943	0.7
239.03459	4.1
241.05093	4.4
242.05840	7.9
243.06561	6.1
253.05072	30.7
254.05524	1.8
255.02977	4.5
256.03781	9.8
259.09265	0.7
269.04468	1.1
271.06122	100.0
272.06409	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	269.2124
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
52.37683	0.3
54.51254	0.3
56.59673	0.3
57.03434	0.6
59.01389	0.4
61.27155	0.4
69.51997	2.7
71.01379	0.4
88.04057	0.8
98.68229	0.4
111.99153	0.3
153.05374	0.5
209.19110	1.2
225.22290	1.3
251.20129	0.4
269.04636	0.7
269.21234	100.0
269.24432	3.3
270.21591	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0611
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
63.02404	10.7
63.77171	0.5
64.94228	0.5
65.00327	17.9
70.63896	1.4
70.64262	1.2
71.01398	3.2
71.01724	0.6
72.99314	0.6
75.00865	0.6
77.75219	0.5
79.01878	0.6
79.69437	0.6
79.73914	0.5
82.55289	0.6
83.01397	12.4
93.03465	14.4
95.01491	0.5
107.01396	25.9
109.02942	1.2
119.05032	81.7
120.05357	2.1
121.02963	1.1
125.02409	1.1
137.02367	0.8
143.05045	1.1
145.02988	1.3
149.02458	0.7
151.00377	72.2
151.39819	0.5
152.00764	1.4
159.04506	1.2
161.06065	1.7
165.01967	4.1
169.01437	3.8
171.04590	0.9
172.05249	1.1
174.01688	0.8
177.01947	11.4
181.06564	0.7
183.04578	0.6
184.05267	1.2
185.06116	3.3
187.03992	3.7
187.07715	0.8
197.06052	1.1
198.06856	2.8
199.04033	0.9
199.07690	2.4
212.08287	0.7
213.05573	0.9
213.09233	1.1
214.02681	1.0
214.06215	0.6
215.10742	0.8
225.09233	0.9
227.03571	0.9
227.07236	2.4
227.10677	3.3
242.05885	1.0
242.09453	0.7
243.10277	1.8
253.05049	0.8
253.08730	1.1
268.47244	0.7
271.02777	5.9
271.06165	100.0
271.09723	15.0
271.19199	1.5
272.06516	6.7
272.09619	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.4
59.20612	0.3
63.02401	10.6
65.00330	18.1
69.00156	0.3
71.01393	3.1
71.41512	0.4
77.64568	0.4
82.78258	0.3
83.01392	11.7
93.03465	15.8
94.03766	0.5
107.01395	28.9
108.99361	0.6
109.02956	0.8
117.03404	0.7
119.05035	79.5
120.05383	2.3
121.02973	0.9
125.02448	1.2
133.02959	0.6
136.01671	0.5
137.02478	1.0
143.05042	1.1
145.02997	1.9
151.00378	74.5
152.00719	2.1
157.06569	0.5
161.06065	1.3
165.01915	3.7
169.01459	2.8
174.03229	0.4
177.01929	10.3
185.06073	1.9
186.14899	0.4
187.04031	3.1
199.03909	0.5
199.07584	0.5
209.06119	0.5
214.06290	0.5
227.03528	1.2
227.07114	1.9
229.05130	0.5
242.05859	0.5
243.10236	0.8
253.05188	0.8
255.03008	1.5
271.06125	100.0
271.09360	3.5
271.19125	1.1
272.03943	0.7
272.06512	6.2
283.02460	0.4
284.03229	0.8
285.03934	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2173
Annotation	(R)-hydroprene
Peak:m/z	Relative Intensity
59.01367	0.9
71.18925	0.7
78.75244	0.4
79.95733	0.9
93.03477	2.6
93.35266	0.4
96.96017	33.9
115.65349	0.4
115.66219	0.5
119.05072	0.6
121.02982	0.5
131.05000	1.0
133.06592	0.5
147.04501	1.7
149.06071	0.4
159.04431	0.8
177.05595	6.2
181.04971	0.5
199.58653	0.4
238.59660	0.5
246.98790	0.7
247.20699	0.5
265.14838	23.3
265.21725	100.0
266.15137	1.6
266.22046	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	267.0663
Annotation	Dorstegin
Peak:m/z	Relative Intensity
55.52964	1.0
59.01379	3.7
61.98849	1.6
70.49881	3.4
70.50240	1.3
71.01387	1.6
84.51896	1.1
85.02963	1.1
89.02451	1.4
197.06087	100.0
198.06453	3.6
223.07672	5.1
223.20830	1.4
267.06650	34.2
267.16150	2.6
267.19559	4.3
267.23035	1.3
268.07037	2.4
268.11731	1.1
284.41281	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0312
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84151	2.3
58.91721	2.5
59.01377	3.4
61.98834	100.0
66.31138	2.4
69.40674	2.2
71.14915	4.7
72.99302	4.8
75.00865	6.6
82.90933	2.4
98.44849	2.7
109.02960	6.3
119.00011	2.6
119.04989	2.8
121.63348	2.3
123.04483	2.7
139.04076	3.3
245.04471	2.9
269.03549	3.4
269.07959	3.2
269.21039	3.7
269.24557	3.2
274.62271	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.082
Annotation	Bolusanthin III
Peak:m/z	Relative Intensity
59.01366	0.5
65.03970	0.4
71.61661	0.4
73.02993	0.4
75.00901	0.4
81.03461	0.6
87.00928	0.5
91.01913	0.4
91.05542	0.8
93.03461	1.7
95.05021	0.6
101.03980	1.4
103.05608	0.5
105.03467	0.5
108.02191	2.9
109.02962	71.9
110.03293	1.3
115.05534	0.6
117.03500	1.2
119.05038	7.4
121.02962	5.7
122.03770	1.9
123.04551	5.2
125.02446	0.5
129.03479	7.9
130.04305	2.4
131.05051	1.7
133.02986	1.2
135.04552	2.2
137.02417	0.6
143.05026	1.2
145.02968	14.2
146.03751	26.6
147.04533	100.0
148.04858	3.2
158.03729	2.9
159.04526	43.7
160.04907	1.7
161.02487	1.7
161.06073	1.1
180.12173	0.4
185.06032	0.4
196.64597	0.3
197.06117	1.0
198.06831	0.4
199.07579	0.5
209.06107	0.5
211.03996	0.5
211.07654	0.4
212.07939	0.4
213.05492	0.8
222.07021	0.3
223.07642	1.0
224.04759	0.3
225.05548	1.0
226.06409	0.4
227.07127	0.8
237.05606	0.8
241.05055	0.9
241.08678	0.6
251.07155	3.6
252.07837	2.5
252.79762	0.3
253.05086	0.6
254.05836	2.5
267.06662	0.9
268.07349	1.2
269.04868	2.3
269.08188	69.6
269.21240	1.7
269.24814	0.8
270.08527	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	269.1759
Annotation	CHEBI:66168
Peak:m/z	Relative Intensity
50.48282	0.4
57.03453	4.2
63.21810	0.4
69.04174	0.5
69.41476	4.1
71.01385	1.6
71.05027	3.7
72.02157	2.6
72.68552	0.5
73.02942	0.7
76.93109	0.5
81.03468	0.6
85.02945	2.1
87.04520	100.0
88.04848	2.0
98.20600	0.7
99.04533	4.4
125.09774	0.5
137.09738	1.4
151.89763	0.5
181.96411	0.5
189.16476	1.4
191.14340	0.5
207.17525	7.6
209.15480	1.7
211.13472	1.6
219.46628	0.5
223.16904	0.7
225.18597	0.7
251.16594	0.8
264.70169	0.6
265.93283	0.5
269.17584	51.3
270.17966	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29625	1.4
51.88233	1.6
59.01383	100.0
60.01709	2.2
69.37696	14.2
71.03320	1.4
71.78856	1.5
121.65860	1.4
143.93102	1.6
213.66539	1.7
263.12845	4.4
265.00082	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	263.1289
Annotation	6-Hydroxyisoquadrone
Peak:m/z	Relative Intensity
51.91346	0.4
57.03449	0.9
57.26508	0.4
59.01368	0.6
61.88582	0.4
68.02013	0.4
69.64777	2.2
71.01398	0.5
83.05029	1.5
87.45072	0.4
95.05031	0.6
98.20609	0.6
106.04233	0.4
107.05040	0.9
121.06597	0.6
129.74171	0.4
135.08144	0.6
137.06023	0.7
147.08089	0.5
161.09688	0.7
173.09729	0.4
179.50536	0.5
188.39288	0.4
189.12852	0.9
201.12810	0.6
205.08701	0.5
219.14093	0.6
263.12878	100.0
264.13245	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	263.129
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07325	0.4
59.01374	0.7
65.03967	1.0
67.01881	1.6
67.05514	0.4
69.27008	3.5
69.27419	0.9
71.05019	4.5
73.23477	0.4
87.65477	0.4
91.05516	0.5
93.03465	34.9
94.03824	0.7
95.05034	0.8
97.02962	1.2
119.05037	2.9
121.02957	1.9
147.08165	17.4
148.08563	0.8
150.17892	0.5
162.56435	0.4
188.12999	0.4
190.04025	0.5
191.07149	16.5
192.07455	0.5
219.13834	0.6
223.61227	0.4
263.12885	100.0
264.13199	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	263.2017
Annotation	KDC 165
Peak:m/z	Relative Intensity
50.93965	0.3
51.48222	0.3
59.01369	1.5
59.65015	0.4
61.98814	0.7
70.36355	0.9
75.65495	0.3
101.08328	0.3
127.07681	0.4
129.28833	0.4
134.89459	1.2
183.97411	0.4
189.95859	0.4
191.19824	0.4
219.17531	0.6
219.21095	0.9
245.19113	0.5
261.18558	0.6
263.20151	100.0
264.20480	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	265.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83107	2.0
61.31811	2.0
69.38441	3.3
69.38612	3.7
69.39024	12.2
83.01382	2.7
93.03471	33.3
98.20567	4.4
118.99844	5.4
119.05039	10.0
131.05023	10.0
133.06604	12.6
135.50414	2.1
145.02946	8.8
147.04530	17.1
149.06078	7.6
159.04469	8.3
160.40947	2.0
163.04095	2.5
175.04190	2.4
177.05583	100.0
178.05933	6.9
185.28094	2.1
211.94910	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	265.181
Annotation	Pseudopyronine A
Peak:m/z	Relative Intensity
81.03506	0.3
93.03491	0.3
96.96018	4.9
96.96573	0.4
105.10345	0.3
116.60921	0.3
126.76251	0.3
129.00598	0.3
147.04497	0.6
153.69012	0.3
176.29639	0.3
177.05611	1.1
181.16026	1.8
181.78252	0.4
195.17607	0.7
203.17970	0.5
221.19130	100.0
222.19479	6.3
223.17055	15.3
224.17337	0.7
265.14908	3.2
265.18091	45.0
266.18411	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	261.1344
Annotation	oscr#12
Peak:m/z	Relative Intensity
57.03419	1.4
57.80408	0.6
59.01331	2.4
69.03413	1.9
69.38493	1.5
69.38903	3.8
71.01390	5.4
72.99316	10.5
75.00814	2.1
93.03406	0.7
95.04971	1.2
98.19833	1.3
111.08169	4.1
119.04965	1.7
127.11269	3.8
140.26735	0.7
147.04486	1.0
153.09210	3.6
153.12804	1.9
155.14406	0.8
159.04515	2.1
161.02469	1.0
161.05966	1.0
163.11285	3.6
169.12392	3.5
171.10280	33.8
172.10521	1.1
173.05968	0.7
181.12352	18.3
182.12674	0.8
197.11819	9.1
199.13405	4.0
203.03494	1.7
207.10313	1.2
217.05022	2.5
225.11336	4.7
243.12369	84.3
244.12704	3.9
255.27220	0.7
261.13446	100.0
261.22238	1.6
262.13736	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	262.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24105	0.6
59.01380	10.7
61.98824	0.7
63.16127	0.6
63.51688	0.6
70.19839	1.9
70.20251	1.1
73.04068	0.7
75.00868	2.4
80.30465	0.6
98.20709	0.9
109.01690	1.8
115.05565	6.1
116.05089	4.0
116.05819	0.9
124.59048	0.6
128.05084	1.1
129.05861	0.9
130.05659	0.7
130.06630	11.2
131.03735	0.8
132.04593	4.0
132.08243	0.8
144.04597	3.5
146.06117	7.8
157.05299	1.6
158.06116	100.0
159.06471	3.8
174.05600	30.4
175.06052	1.4
175.07599	1.3
202.05096	56.6
203.05464	2.7
219.06700	0.7
220.06102	5.7
244.06264	0.6
262.07162	0.8
263.09888	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	261.134
Annotation	oscr#12
Peak:m/z	Relative Intensity
57.03450	1.8
59.01382	1.9
69.03452	2.6
69.59669	5.6
71.01389	5.3
72.99316	8.6
75.00871	2.8
75.78976	0.7
81.31548	0.9
97.02962	0.9
98.19931	1.8
98.44037	0.7
101.60353	0.7
105.09917	0.7
111.08183	4.4
117.01565	1.0
119.05042	1.9
127.11269	5.1
145.02963	1.5
147.04561	1.1
151.11281	1.0
153.09219	3.3
153.12869	2.7
159.04550	1.7
161.06133	1.4
163.11307	3.4
169.12335	2.6
171.10289	30.0
173.06123	1.0
181.12350	16.1
182.04474	0.9
189.05638	1.2
197.11821	10.3
199.13377	4.5
207.10396	0.9
214.55208	0.9
217.05063	3.7
225.11324	5.0
243.12383	87.8
244.12666	3.9
261.04144	2.7
261.13452	100.0
262.13763	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	261.1132
Annotation	Perydiscolic acid
Peak:m/z	Relative Intensity
61.98826	2.3
70.52958	2.1
73.34579	0.6
81.52831	0.7
93.07079	0.5
97.02974	8.4
105.07134	0.8
115.05531	1.6
121.02984	1.1
121.06569	0.7
121.10219	1.9
122.03745	2.0
123.04542	0.9
133.06589	1.5
135.04515	0.7
137.06075	0.7
139.07629	0.8
141.25626	0.6
141.37387	0.5
143.42342	0.5
147.04501	0.6
157.10243	1.0
159.04514	3.6
163.07675	15.6
164.08354	2.1
165.09200	3.1
173.06111	0.9
173.13388	4.9
174.06908	5.1
189.09235	1.7
189.12851	2.0
201.09300	1.1
202.10080	0.8
217.12347	53.2
218.12691	3.0
254.61485	0.6
261.11328	100.0
262.11676	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	261.1133
Annotation	Parthenin
Peak:m/z	Relative Intensity
52.78384	0.5
54.79194	0.4
55.01867	1.2
57.03456	7.8
61.98824	0.5
65.03953	0.6
67.01888	1.2
67.55755	0.4
70.18947	1.2
70.19319	0.9
72.20396	0.4
79.05526	0.7
80.02647	0.4
81.03475	0.9
83.05044	2.2
85.80045	0.4
93.03466	3.5
95.05041	0.6
97.02956	1.7
98.19923	0.5
105.07111	4.6
106.04263	8.4
107.05043	3.3
115.37472	0.4
119.05019	1.6
121.02982	3.4
121.06587	1.9
132.05812	0.4
133.06607	8.6
134.03670	0.4
135.04521	0.5
135.08168	1.5
137.06071	0.5
138.03210	2.2
143.04993	0.5
145.06567	0.6
147.08128	1.2
148.05357	0.9
154.28728	0.4
159.08160	6.6
159.11794	0.5
161.06068	1.0
163.07663	13.9
164.07997	0.5
169.10304	0.8
187.11304	5.2
197.76924	0.4
199.11302	1.2
217.12370	3.3
261.11334	100.0
262.11673	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	261.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20918	0.6
61.98836	6.1
70.93879	1.4
71.01413	0.6
81.03470	2.7
89.69469	0.7
95.05039	1.4
97.02969	2.6
106.04227	0.7
107.05092	0.6
117.07091	0.8
119.05035	0.9
119.08669	0.8
120.05805	1.9
121.06608	25.1
122.06909	0.7
123.04529	2.1
135.04521	0.7
135.08144	3.7
137.06111	5.7
145.06584	0.7
145.28195	0.5
145.74356	0.6
148.05322	5.0
160.39589	0.6
163.07655	100.0
164.07988	3.1
173.13380	2.7
174.93393	0.7
181.34746	0.6
211.80461	0.6
217.12332	19.3
218.12537	0.6
261.08340	0.8
261.11349	15.0
261.14832	1.9
261.19714	1.3
261.22229	4.6
262.11526	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1133
Annotation	Perydiscolic acid
Peak:m/z	Relative Intensity
54.14693	1.2
61.98837	26.4
62.59162	1.1
64.23070	1.4
70.82404	2.8
71.01367	1.5
74.89799	1.3
92.89388	1.1
93.03459	1.8
97.02946	11.2
99.99989	1.1
103.38920	1.2
115.05540	1.8
115.92068	2.3
121.02985	1.7
121.06615	5.4
121.10213	1.9
122.03744	1.8
123.04530	1.7
133.06664	1.7
135.08156	1.7
137.06075	5.2
139.96715	1.2
145.10269	1.4
145.33537	1.3
153.02213	1.3
159.04512	4.9
161.02493	1.4
163.06277	2.4
163.07660	44.7
164.08116	2.5
165.09264	1.8
166.95990	2.4
173.06104	2.3
173.13322	6.8
174.06886	3.9
177.05559	4.5
189.12849	2.9
190.65433	1.3
197.90352	1.8
217.12338	47.0
218.12706	1.7
261.00391	1.9
261.11328	100.0
261.18719	3.8
261.22226	11.6
262.11649	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	261.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78027	0.2
61.98847	0.6
65.03969	0.6
67.01888	0.5
67.05534	1.3
69.36941	1.0
69.37383	1.1
80.02674	0.9
85.06593	0.4
87.04543	0.3
92.02698	0.9
93.03466	3.0
95.05046	0.9
97.02966	0.9
109.06573	0.6
111.04565	0.6
113.06114	0.6
117.03495	0.4
117.07088	0.5
119.05022	0.6
121.02976	0.7
121.06602	2.5
121.10226	0.2
133.06607	0.5
135.08188	2.3
135.94350	0.3
137.06090	2.2
145.06592	0.8
147.08160	1.6
163.07661	21.6
164.07973	1.0
171.11809	0.4
173.06131	0.4
174.06898	0.7
178.08389	0.3
189.09216	3.8
189.12766	1.3
199.11241	0.4
202.10039	0.7
217.12338	21.0
218.12665	1.1
219.30325	0.2
261.11322	100.0
262.11649	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	261.1135
Annotation	Perydiscolic acid
Peak:m/z	Relative Intensity
61.98820	2.5
69.77419	1.4
69.77834	0.6
88.73451	0.3
89.03945	0.7
99.08155	0.6
108.02190	1.1
115.92085	0.4
119.05009	0.6
121.02976	0.9
123.04516	8.4
131.05002	1.3
133.02948	2.2
133.06615	0.6
135.00856	0.5
137.06059	1.7
139.16855	0.4
148.01683	0.6
149.02377	0.8
171.11771	1.6
173.13339	5.5
174.93275	0.4
177.05603	0.8
189.12842	6.4
191.14392	1.3
217.12326	88.6
218.12672	5.8
235.13455	0.8
261.11310	100.0
261.22104	3.0
262.11642	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	259.0975
Annotation	Pertilide
Peak:m/z	Relative Intensity
50.84088	0.9
63.86015	1.0
79.05581	1.0
91.05529	3.1
93.03508	1.6
98.19807	1.7
112.97260	1.2
123.04527	4.8
133.02960	3.4
136.59177	1.3
137.06149	2.1
161.02499	1.3
171.11815	23.4
177.05563	3.9
181.59410	1.1
183.17529	4.0
211.17075	2.9
213.18585	9.6
215.03395	1.0
215.10770	40.3
216.11142	3.6
217.16034	2.3
259.02478	3.2
259.09766	100.0
259.16928	8.7
259.19202	43.9
260.10101	7.2
260.19562	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	18.5
71.61820	0.5
75.00876	1.0
85.32256	0.6
109.02977	0.8
125.09711	0.8
127.11295	0.6
137.09737	8.0
153.09207	0.9
155.10793	100.0
156.11086	4.0
161.02437	1.0
164.91597	0.6
171.10281	23.3
181.08730	1.7
187.03986	1.0
199.09772	32.7
200.10106	1.7
215.07137	0.7
215.10823	1.0
217.10814	92.1
218.11131	4.8
259.02478	1.0
259.06125	0.6
259.09540	2.0
259.11905	14.4
259.14816	1.0
259.67331	0.5
260.12192	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83682	3.0
57.03416	5.2
59.01384	6.2
61.98828	12.3
63.52396	3.4
71.01415	5.0
71.61629	2.8
71.62025	4.3
78.75120	2.9
83.05048	3.8
85.02957	3.0
86.48444	3.4
89.12257	3.0
93.03521	3.6
96.57490	3.3
97.06604	4.8
109.27185	3.2
111.04526	3.5
115.04037	19.1
117.03439	7.3
119.05050	4.0
119.11976	3.6
125.09665	3.2
130.04248	5.7
135.04553	4.6
154.99051	3.4
173.09738	3.2
189.01883	3.7
189.09216	58.8
201.05554	5.7
202.10049	4.7
217.12332	13.4
218.01372	4.8
245.00108	100.0
246.00714	14.1
261.03226	79.5
261.07623	4.5
261.11282	40.5
261.14709	7.6
261.22208	27.1
262.03632	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	259.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06117	0.3
65.03942	0.4
69.03414	0.4
79.05521	0.4
83.04988	1.2
85.06606	2.4
91.05489	1.3
91.06000	0.4
93.03452	2.1
97.02920	0.7
99.92535	0.4
100.78304	0.4
101.03930	0.4
107.04970	1.1
108.05799	0.3
109.06564	0.8
115.05525	0.6
117.03442	0.7
119.05051	3.6
130.04201	0.3
131.05046	0.7
133.06561	0.7
143.05086	1.6
143.08652	0.3
145.02945	0.7
145.59196	0.4
147.04477	0.5
157.06627	3.0
158.03709	0.4
158.07242	0.4
159.08083	1.4
161.02338	0.5
161.06071	0.4
161.09602	0.4
167.08665	0.4
169.10240	8.7
170.10532	0.6
171.04498	0.5
171.08093	0.3
171.11807	9.1
172.05304	0.6
172.12099	0.6
173.06009	0.4
177.05582	0.9
185.06133	0.4
185.09697	1.3
187.07635	0.9
187.11313	4.6
189.01698	0.6
197.09720	0.7
215.03375	0.6
215.10768	16.8
216.04292	2.9
216.11061	1.0
217.04971	0.4
231.10181	0.3
259.02362	0.6
259.09741	16.0
259.20636	0.4
260.10074	1.3
264.51398	0.3
273.22308	0.3
277.10818	100.0
278.11169	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	259.0976
Annotation	2,9-Epoxylacta
Peak:m/z	Relative Intensity
55.01869	1.3
56.90232	0.8
57.03445	3.5
58.23649	0.8
59.01392	1.8
59.60584	1.1
60.32461	0.7
63.00682	0.7
67.01894	2.1
69.27158	3.4
69.27583	5.7
75.41905	1.0
76.94187	1.0
80.02692	3.8
93.03458	5.8
95.05035	1.0
96.95770	0.9
97.02934	1.4
98.20573	2.0
103.05518	0.9
105.07127	1.2
106.04253	0.9
107.05022	3.4
119.05032	2.4
121.02956	2.1
121.06590	7.1
122.39767	0.8
132.05763	1.2
133.06595	11.3
134.03717	3.0
135.04530	2.5
143.05029	1.7
145.06578	2.2
147.04526	1.4
157.06561	2.3
159.04478	0.9
159.08163	1.1
161.06088	14.2
171.04546	1.2
171.08173	1.4
177.05580	5.7
187.07663	2.8
187.11269	7.1
197.09712	1.2
199.03723	1.2
200.08495	1.1
201.01601	1.3
215.07289	0.9
215.10803	13.7
216.10982	1.1
259.09756	100.0
260.10141	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	259.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89228	1.5
55.01866	3.3
57.03432	4.1
58.26583	1.3
63.20893	1.1
65.03983	1.5
67.01902	1.7
69.03446	2.0
79.05544	1.4
81.03461	11.9
83.05014	6.8
91.05533	1.5
93.03464	5.3
95.05016	3.0
97.02944	6.3
102.25829	1.1
105.07091	1.7
106.04253	1.1
107.05023	14.2
109.06625	2.1
110.91016	1.1
112.65345	1.4
115.05456	1.3
117.03483	1.7
119.05041	5.9
120.05792	5.3
121.02998	2.0
121.06603	7.6
123.04545	7.0
129.07062	1.5
131.05026	3.9
132.05821	1.7
133.06593	16.1
134.03754	2.9
135.04510	5.4
143.05032	3.1
145.06602	6.9
157.06590	6.4
159.08177	6.3
161.06093	18.3
163.07611	3.2
167.80951	1.3
169.06529	2.0
169.10263	1.7
171.04503	3.9
171.08098	2.7
172.05238	1.7
172.08867	1.5
175.07668	2.2
177.05521	2.6
185.06087	3.1
185.09641	3.2
187.07713	6.7
187.11273	18.1
197.09642	6.5
199.07645	2.1
200.08368	3.5
213.09201	2.2
215.10760	60.0
216.11090	4.2
231.10231	3.9
259.09753	100.0
260.10150	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	259.0248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.1
65.00323	1.9
67.81757	0.5
69.25624	1.1
69.26030	3.5
72.99323	0.5
75.00869	1.1
80.96053	0.4
82.87429	0.4
91.01871	0.5
95.01390	0.6
104.02690	1.4
105.61597	0.4
108.02169	1.1
109.03008	0.6
110.00092	2.0
111.00883	3.4
111.02435	0.4
119.01394	1.4
132.02187	3.6
135.00871	1.3
139.01889	1.5
144.02127	0.6
147.00896	2.8
147.04486	0.9
148.01648	2.7
156.02193	3.2
159.00809	0.7
160.01669	3.3
161.02448	0.5
171.00951	3.4
171.04530	44.4
172.01672	45.0
173.02095	1.4
175.00343	0.7
176.01086	0.8
187.03928	0.5
188.01160	25.2
189.01526	1.7
200.01173	5.8
203.03485	2.2
215.03522	16.2
215.12852	0.7
216.00639	17.2
216.03838	1.0
217.01012	0.8
231.03032	3.4
241.10902	0.7
244.00128	100.0
245.00504	5.1
259.02481	32.2
259.09717	0.9
259.11844	0.9
260.02759	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	259.0976
Annotation	Echinolactone B
Peak:m/z	Relative Intensity
57.03446	11.6
65.12930	1.3
67.01888	1.7
69.03436	1.9
69.17101	0.9
69.27288	6.6
69.27713	4.4
81.03436	1.3
83.05052	1.0
91.05574	1.1
93.03453	2.3
93.76842	1.1
97.02950	16.9
98.19820	2.1
105.07119	1.4
106.04291	1.5
107.05020	3.3
109.06633	1.1
117.07112	3.4
119.05025	2.6
121.02941	2.1
123.04526	2.2
131.05025	4.6
133.06577	11.3
134.03743	1.6
135.04543	11.0
141.07031	1.2
143.05006	3.6
143.08626	2.1
145.06601	1.9
155.08669	1.4
156.05779	3.6
157.06592	10.2
158.07362	9.4
159.04506	1.8
159.08127	2.0
161.06090	79.4
162.06451	3.6
163.07625	9.8
167.03912	1.1
169.10184	2.1
171.08147	3.7
172.08905	2.2
173.09738	2.5
175.07661	2.1
185.06119	3.5
185.09718	14.5
186.06624	1.5
187.11263	9.3
197.09767	7.0
199.07716	1.4
200.08452	5.2
215.10760	45.1
216.11180	3.1
229.08684	2.6
231.10208	1.7
259.09753	100.0
260.10071	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	257.0822
Annotation	5-Methoxyseselin
Peak:m/z	Relative Intensity
53.41462	0.5
53.41743	0.5
59.01398	0.7
68.05793	0.5
69.73910	0.9
69.74309	2.5
83.05099	0.6
83.91903	0.5
119.05067	0.6
120.82403	0.4
127.70201	0.5
128.87471	0.5
157.06584	2.4
183.08212	1.0
187.07681	1.3
187.11327	1.1
196.95987	0.5
197.11838	0.6
213.09227	80.0
214.09561	5.1
229.08772	0.6
231.09517	0.6
256.23663	1.8
257.08203	100.0
257.23895	1.9
258.08502	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	257.1759
Annotation	TETRADECANEDIOIC ACID
Peak:m/z	Relative Intensity
53.35981	0.3
57.03453	0.7
59.01372	0.4
61.46545	0.3
70.14499	1.6
98.20275	0.9
193.15981	0.8
195.17545	50.1
196.17877	2.9
203.97305	0.5
206.24597	0.4
206.70772	0.4
213.09209	1.0
213.18578	1.4
239.16536	54.3
240.16870	3.3
257.17587	100.0
258.17938	6.1
258.20895	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	257.2123
Annotation	2-Methoxytetradecanoic acid
Peak:m/z	Relative Intensity
59.01377	0.8
70.75909	0.7
83.01411	0.4
83.05026	0.5
99.92596	0.4
115.92139	0.3
116.92840	0.4
185.02489	0.4
203.97301	0.7
211.20689	4.4
239.20152	1.7
255.19612	0.5
255.23318	1.4
257.21243	100.0
257.94360	0.4
258.21579	6.1
277.18259	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2123
Annotation	2-hydroxypentadecanoic acid
Peak:m/z	Relative Intensity
51.80165	0.3
57.94315	0.3
59.01387	0.4
69.56875	1.7
83.04997	0.4
87.52331	0.4
98.19819	0.4
99.92596	0.7
116.92856	1.2
123.14201	0.4
151.81796	0.4
158.93802	0.6
160.03816	0.3
183.17502	0.9
204.88258	0.5
207.17584	1.0
209.19073	4.2
211.20676	65.4
212.21016	3.7
219.84525	4.4
220.84534	1.4
221.84253	9.2
221.86275	0.8
239.20132	1.7
243.85956	0.4
257.04694	0.6
257.21234	100.0
257.94186	0.7
258.21555	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	257.082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04193	0.2
52.42131	0.1
60.20954	0.1
65.00328	0.2
68.99805	0.3
70.93272	0.2
75.00882	0.2
83.05074	0.2
93.03454	0.2
95.01385	1.0
101.68024	0.1
107.05029	1.0
109.02971	1.3
115.05468	0.2
117.03442	0.2
121.03001	0.2
131.15739	0.2
133.02986	0.3
135.04553	1.0
144.05759	0.2
145.06566	0.2
145.91371	0.1
146.03766	0.3
158.03780	0.6
159.04530	2.0
159.08180	0.2
161.02423	1.2
163.04051	0.2
171.04460	0.8
172.05307	16.5
173.05956	1.1
174.03217	0.2
175.03990	0.3
183.04510	5.9
184.05190	0.6
185.06073	0.5
185.09738	0.2
186.03253	0.4
186.06853	0.3
187.04257	2.6
187.07651	100.0
188.07996	5.4
189.05531	0.9
195.08105	0.2
196.05302	0.9
197.06076	0.9
198.06917	1.2
199.04016	7.4
200.04787	5.0
201.05513	0.8
201.09195	0.4
204.04265	3.0
211.04092	1.1
211.07616	3.1
212.04716	0.2
212.08127	0.3
213.05627	1.0
213.09215	13.3
214.06384	2.1
214.09583	0.7
215.07133	17.0
216.07426	0.8
216.09279	0.1
224.04893	0.2
226.02763	0.3
227.03513	10.8
228.04274	9.0
229.04848	0.6
229.08699	5.2
230.05893	0.2
230.09143	0.3
231.10268	1.9
232.03741	0.7
239.07193	0.6
246.05209	0.7
255.06485	0.2
256.03555	0.2
256.23581	0.6
257.08197	93.4
257.23853	0.5
258.08511	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	257.0821
Annotation	5-Methoxyseselin
Peak:m/z	Relative Intensity
51.93198	0.6
59.06154	0.7
70.05702	0.7
70.06010	3.4
99.00410	0.8
131.92073	0.7
141.07085	2.0
143.05022	1.4
155.08679	0.9
157.06572	1.0
167.07243	1.2
167.08661	24.5
168.09050	1.0
169.10233	69.2
170.10529	2.7
171.04517	0.9
172.05307	1.1
173.99519	0.7
183.08134	8.2
185.06087	1.7
187.07547	2.1
200.04761	1.6
201.09157	0.9
205.24146	0.7
211.17015	1.8
213.05807	1.1
213.09206	16.3
214.09610	1.3
229.08643	1.5
231.10315	2.2
256.23663	6.9
257.08200	100.0
257.11584	3.8
257.23782	4.6
258.08514	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	257.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	0.2
59.03878	0.1
67.01907	0.2
68.99822	0.3
93.57857	0.1
95.01412	0.6
97.02952	0.2
99.42085	0.2
101.32899	0.2
107.05035	0.5
109.02950	1.0
111.82784	0.2
112.35764	0.2
121.02890	0.2
133.02965	0.4
135.03654	0.2
135.04494	1.2
140.71588	0.2
143.04999	0.2
144.05894	0.2
146.03792	0.2
158.03777	0.5
159.04518	1.9
161.02470	1.5
170.03789	0.2
171.04480	0.4
172.05304	17.9
173.05917	1.2
174.03300	0.3
174.06847	0.2
175.03986	0.4
182.03740	0.2
183.04523	6.2
183.06157	0.4
184.05077	0.5
185.02542	0.2
185.06099	0.6
185.09694	0.2
186.03203	0.6
186.06876	0.6
186.18532	0.2
187.04243	2.4
187.07646	100.0
188.07990	4.8
189.05565	0.8
195.08157	0.2
196.05353	0.9
197.06046	0.8
198.06845	1.0
199.04012	8.6
200.04782	5.5
201.05420	0.8
201.09276	0.3
204.04271	2.7
211.04094	1.4
211.07614	3.3
213.05626	1.0
213.09207	12.1
214.06357	2.3
214.09515	0.7
215.07121	15.9
216.07405	0.8
224.04819	0.2
226.02710	0.3
227.03508	10.2
228.04262	9.0
228.07948	0.5
229.04791	0.6
229.08698	5.9
230.05676	0.2
230.09120	0.4
231.10268	1.6
232.03827	0.5
239.07144	0.7
246.05293	0.6
256.23676	0.3
257.08188	90.5
258.08511	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	254.0154
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	10.5
59.29723	1.5
61.98833	100.0
70.62593	4.3
72.99302	3.6
75.00864	6.6
98.20456	1.7
109.91886	1.4
111.88116	1.7
117.00481	2.3
121.12619	1.4
125.00949	1.6
126.98846	1.8
135.04532	2.1
141.00496	2.1
143.01994	3.1
159.01447	2.3
161.02419	5.7
168.99889	5.3
224.98877	1.9
254.99945	2.5
255.23199	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	255.233
Annotation	Palmitic acid
Peak:m/z	Relative Intensity
61.35245	0.4
69.05878	0.4
71.47660	0.5
88.63876	0.4
103.31703	0.4
111.76321	0.4
125.97298	0.4
237.22295	0.6
255.23306	100.0
256.23654	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	257.082
Annotation	5-Methoxyseselin
Peak:m/z	Relative Intensity
54.13811	0.7
59.01364	1.7
62.75210	0.6
64.39592	0.7
67.61148	0.6
69.68301	4.9
74.50751	0.8
83.05016	1.4
101.15246	0.8
117.03484	1.1
129.03363	0.7
140.37938	0.7
169.10237	2.3
187.07661	1.1
203.97397	1.5
211.17067	0.8
213.09221	78.5
214.09532	5.3
229.08870	0.8
256.23599	5.2
257.08206	100.0
257.17532	13.7
257.21301	1.6
257.23767	5.9
258.08493	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	253.0871
Annotation	3,7-Dimethoxy-5-hydroxyphenanthrene
Peak:m/z	Relative Intensity
51.33991	0.4
57.03437	0.6
59.01382	11.6
69.64960	2.5
75.00877	0.5
84.29942	0.4
91.01927	0.4
93.03460	6.0
93.11518	0.4
94.03890	0.4
94.98088	0.4
96.96024	1.8
99.77482	0.4
107.05025	0.5
108.02196	1.2
109.02959	5.3
117.03488	0.5
119.05003	2.1
119.91676	0.5
121.02961	2.8
123.04561	0.5
129.03485	0.9
130.04239	1.4
131.05032	4.5
132.98058	0.4
135.04491	0.4
141.57033	0.4
143.04994	2.8
145.02969	4.5
146.03746	21.8
147.04536	11.5
148.04823	0.6
158.03802	0.8
159.04523	5.2
161.02577	0.5
161.04549	1.7
170.44821	0.4
175.29056	0.4
181.06612	0.6
183.04466	0.8
183.08188	0.9
185.93478	0.4
193.07115	1.6
195.04524	0.7
196.05252	2.1
197.06042	0.7
205.06651	0.5
206.07339	1.0
207.08153	1.7
209.06122	8.9
209.08128	0.5
210.06839	2.4
211.07651	4.7
223.07689	0.8
225.05643	0.7
225.09114	1.3
233.06104	0.5
234.06833	1.1
235.07646	29.3
236.08084	2.8
237.05756	0.4
238.06400	1.0
251.07127	4.6
252.07838	3.3
253.08711	100.0
254.09042	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	253.093
Annotation	3-beta-D-Galactosyl-sn-glycerol
Peak:m/z	Relative Intensity
59.01384	100.0
62.61199	1.1
69.57220	7.7
71.01385	4.6
85.02946	3.6
87.00902	1.4
89.02461	3.0
101.02450	2.3
110.92622	4.2
113.02498	1.6
125.02472	1.3
128.82831	1.1
144.44324	1.1
152.93607	2.1
154.90623	1.2
161.04565	10.6
193.07217	15.3
252.93839	1.3
253.09308	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	251.2016
Annotation	Hugonianene B
Peak:m/z	Relative Intensity
59.01376	2.0
76.05331	0.4
78.11015	0.4
98.19822	0.8
128.29781	0.4
220.05133	0.4
233.19135	2.0
240.67339	0.4
251.20152	100.0
252.20493	7.2
269.31503	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42775	1.0
59.01385	55.6
61.91985	1.1
67.01876	1.4
69.69980	2.4
69.70383	6.7
70.18011	1.1
71.01400	2.2
73.02944	1.0
75.00878	2.8
83.24010	1.0
83.64043	1.0
85.02962	1.8
93.03452	4.8
96.64592	1.1
96.96024	1.5
97.02969	1.8
101.02449	1.2
103.69515	1.0
105.07108	2.2
109.02933	2.6
115.90646	1.1
119.05017	1.6
121.02955	9.3
121.06584	1.6
125.02399	1.4
130.04219	3.2
131.05026	4.1
133.06610	12.6
135.08168	4.2
143.05048	1.3
145.02974	2.6
146.03743	11.7
147.04538	6.7
149.50568	1.2
150.06865	2.6
159.04498	3.1
161.04527	6.1
165.09224	30.3
166.09590	1.8
193.07140	6.5
197.06035	1.8
207.67198	1.1
209.06216	5.7
209.08191	100.0
210.06798	1.3
210.08557	5.4
211.07755	1.5
224.04691	1.7
225.05663	2.8
235.07700	12.9
236.07970	1.3
251.07059	1.6
252.07823	2.0
253.04898	4.8
253.09026	43.2
254.09019	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	249.186
Annotation	roughanic acid
Peak:m/z	Relative Intensity
52.82484	0.4
53.78644	0.3
59.01380	4.0
71.38017	0.6
83.04997	0.5
94.46357	0.4
95.01281	0.3
97.06638	0.3
107.24832	0.4
181.29921	0.3
189.13007	0.4
204.97668	0.3
205.15985	12.3
205.19600	2.2
206.16176	0.6
222.03839	0.3
231.17558	1.0
247.16982	0.6
249.14973	19.3
249.18610	100.0
250.14589	5.5
250.18918	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	251.1654
Annotation	Hanalpinol
Peak:m/z	Relative Intensity
59.01352	0.9
68.99834	0.4
69.34789	3.8
71.01361	0.6
81.03445	0.4
86.21206	0.5
95.04995	0.4
116.75282	0.4
163.00398	0.6
167.14388	1.9
181.15929	0.5
189.16556	0.6
207.17546	100.0
208.17862	6.0
209.15477	14.6
210.15805	0.9
251.16560	38.5
252.16888	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2015
Annotation	Hugonianene B
Peak:m/z	Relative Intensity
50.44242	0.3
59.01381	2.6
59.70602	0.3
61.98818	0.4
68.76247	0.3
70.76640	0.7
71.01392	0.5
72.04469	0.3
74.52866	0.3
75.99083	0.3
83.04990	0.3
85.69736	0.3
91.01881	0.6
92.50560	0.3
93.03468	0.4
101.02458	0.5
109.02946	1.1
145.41275	0.3
151.42500	0.3
223.13380	0.6
233.19118	1.0
251.20171	100.0
252.20482	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	247.1702
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
59.01364	0.2
61.98825	0.2
63.49193	0.1
69.59818	0.9
71.01380	0.1
89.02431	0.1
98.19895	0.3
114.20876	0.1
124.79754	0.1
139.60178	0.1
140.89349	0.1
154.81689	0.1
176.99315	0.2
184.00179	0.3
202.99780	0.3
205.15933	0.3
220.16997	0.3
231.13901	0.5
247.17026	100.0
248.17368	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	249.0769
Annotation	CHEBI:67767
Peak:m/z	Relative Intensity
55.14823	0.5
56.69279	0.4
59.24798	0.4
61.15313	0.4
65.00328	1.3
65.03960	0.7
67.01894	4.3
70.37590	0.8
72.47679	0.4
73.34068	0.4
77.67176	0.4
80.02689	0.9
83.01400	2.9
91.01908	1.0
92.02693	2.1
92.99830	1.5
93.03465	32.0
97.02950	1.3
97.24940	0.4
102.98892	0.4
116.73827	0.4
117.03467	3.4
117.07108	5.8
119.05086	0.4
121.02959	2.8
121.06580	3.0
124.01664	0.6
125.02451	5.1
139.84978	0.4
143.05000	0.8
145.02962	0.9
145.06610	30.2
146.07014	1.5
151.04012	9.1
163.07701	0.7
173.06090	9.9
174.06412	0.6
175.07660	1.5
177.05602	2.1
177.09224	0.6
191.07129	0.6
205.01244	0.4
205.08698	29.0
206.09012	1.4
249.07686	100.0
249.14677	2.4
250.08055	5.5
250.14539	1.7
259.90195	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1859
Annotation	roughanic acid
Peak:m/z	Relative Intensity
59.01376	3.8
70.18678	1.2
71.01377	0.5
83.05029	0.5
86.07251	0.2
128.11443	0.3
132.78432	0.3
177.16550	0.3
205.19604	1.6
231.17506	1.3
247.17055	0.6
249.18587	100.0
250.14658	1.6
250.18901	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	249.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.8
61.55829	0.3
61.98821	1.1
64.58219	0.4
65.00330	0.6
69.66749	0.8
69.67158	1.7
73.02938	0.4
79.95753	0.6
81.03461	0.3
83.05033	0.4
90.27308	0.3
93.03473	0.4
95.01391	0.7
97.06591	0.5
98.20062	1.0
98.20634	0.4
117.03463	0.3
121.02948	0.4
133.03040	0.4
184.50307	0.7
185.00044	0.5
190.79083	0.4
204.97684	0.4
205.01495	0.5
205.15987	1.6
205.19646	1.8
231.17596	1.0
247.17056	0.8
248.58247	0.8
248.90154	1.7
248.96838	0.7
249.07704	1.2
249.15060	3.1
249.15111	2.8
249.18604	100.0
250.14546	4.8
250.18886	7.2
254.13771	0.4
262.70694	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.134
Annotation	Furodysin lactone
Peak:m/z	Relative Intensity
57.36160	4.8
58.88380	3.8
59.01374	29.7
61.98831	19.4
69.03117	3.7
69.03454	100.0
69.20852	4.1
69.64648	16.9
69.65066	12.1
79.95750	4.8
83.05016	8.5
93.03447	7.5
95.05042	50.8
96.73850	4.5
98.19917	8.4
102.94827	4.3
106.04237	7.4
107.04998	6.3
107.08669	10.9
118.38246	4.5
119.05025	12.6
121.00493	4.0
121.02954	5.4
121.06586	21.6
121.10236	14.9
126.28240	4.5
126.46825	5.1
133.10324	5.4
147.00830	5.2
147.11795	19.7
149.09673	6.1
161.02359	4.9
165.01927	5.5
175.14963	4.9
177.09128	4.1
177.96646	4.0
185.13309	16.2
186.95599	15.9
189.54671	5.0
202.99838	6.2
203.10773	12.9
203.14417	65.2
219.13878	18.7
229.12289	28.3
238.81053	4.7
246.98895	10.7
247.11044	5.8
247.13408	81.3
247.17030	28.2
248.13602	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	245.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.2
59.01385	40.0
69.52888	1.0
69.53307	2.5
71.01380	1.4
73.97705	0.4
86.10280	0.5
87.53931	0.5
94.17780	0.5
95.72849	0.5
109.02959	0.7
113.09723	1.3
119.61990	0.6
123.08173	0.6
125.09718	1.1
127.11305	1.7
130.04210	1.2
130.54526	0.5
131.05067	3.0
133.02991	0.7
135.04521	1.8
139.11299	1.2
141.03445	0.6
141.09245	0.9
142.06615	4.7
143.05055	1.1
146.03770	1.0
148.05299	0.7
155.10786	3.0
157.12343	17.5
158.03717	1.1
158.12601	0.5
159.04524	32.6
160.04927	1.1
161.02464	0.7
172.05298	2.2
173.06042	3.1
175.04080	0.7
175.07574	0.9
185.11839	13.9
186.05614	1.1
186.12239	1.0
187.03993	1.5
187.07623	1.8
188.04755	3.8
189.05534	0.8
189.09219	1.1
198.06889	1.0
199.07684	1.2
201.05585	12.9
201.09218	2.9
202.06044	1.2
203.03479	0.8
203.12885	100.0
204.03932	0.5
204.06506	2.4
204.13222	3.6
215.07094	0.7
216.04279	2.2
216.07889	1.0
217.08765	1.1
217.12369	1.1
227.07130	1.2
227.10797	1.9
228.62614	0.5
235.79305	0.5
240.00562	0.5
243.10204	3.0
244.10960	1.3
245.00955	0.5
245.04541	8.4
245.08197	12.7
245.11813	10.2
245.13985	4.5
246.08356	0.6
246.12202	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0931
Annotation	N-Acetyl-DL-tryptophan
Peak:m/z	Relative Intensity
51.16176	0.6
56.69502	0.6
57.66513	0.6
58.02694	1.4
58.02979	22.5
59.01385	1.1
70.02984	16.6
71.01403	0.8
71.38173	1.6
72.00908	4.6
72.04550	3.5
74.02478	100.0
75.02866	0.7
76.49070	0.8
86.02564	0.7
88.65313	0.6
98.02484	22.3
109.03004	0.9
115.37379	0.6
116.03555	25.0
116.05065	32.5
117.03409	0.7
117.05470	0.7
119.04938	0.8
130.06642	4.6
142.06616	8.6
146.30014	0.7
157.07663	1.0
159.04489	6.9
159.09232	4.7
159.24051	0.7
160.02545	1.0
161.04895	0.7
172.05441	1.6
173.06116	2.7
175.07619	1.0
183.09361	0.9
186.05690	2.0
187.04002	1.2
187.07724	2.2
189.05447	0.8
189.09326	1.0
199.07709	1.4
201.05635	2.5
201.10561	6.0
203.08273	82.3
204.08614	3.3
216.04314	1.5
216.07979	1.5
227.07164	1.6
245.01070	1.2
245.04619	3.1
245.09401	73.0
245.11829	6.3
246.09773	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	245.0453
Annotation	hispidin
Peak:m/z	Relative Intensity
65.00352	0.5
71.61503	0.6
75.50778	0.3
80.45101	0.3
83.01416	0.4
94.98060	0.3
115.05547	1.2
116.05114	0.4
116.82108	0.3
130.04237	3.6
131.05031	6.9
133.02994	0.8
135.04514	3.3
141.03452	2.3
143.05023	0.6
145.02972	0.5
145.06609	0.7
146.03758	0.4
158.03722	4.5
159.04515	100.0
160.04839	4.3
161.02464	0.7
173.06088	1.0
183.04495	0.9
187.03868	0.4
201.05569	33.8
202.05850	1.9
203.03506	0.5
217.12424	0.5
245.04533	15.8
245.08427	1.3
245.11626	2.1
246.04854	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0456
Annotation	hispidin
Peak:m/z	Relative Intensity
52.08682	0.2
56.58424	0.2
65.00336	0.2
71.01382	1.3
81.02561	0.2
83.01411	0.4
98.19798	0.3
104.97236	0.3
109.02953	0.4
113.03970	0.2
115.05542	0.7
129.07137	0.5
130.04256	4.2
131.05045	6.4
132.58424	0.2
133.02969	2.2
135.04526	3.5
139.11337	0.6
141.03487	2.2
143.05049	4.6
145.03004	0.3
145.06593	0.9
146.03775	0.4
147.04582	0.3
155.05069	0.5
157.06609	0.5
158.03746	4.0
159.04524	100.0
160.04843	4.8
161.02513	1.2
172.04242	0.2
172.05359	2.5
173.06070	5.1
174.03134	0.4
174.06697	0.3
175.07680	0.8
183.04515	1.4
184.05309	0.2
187.04037	1.0
187.07660	1.9
188.04767	1.0
189.09215	0.5
197.05981	0.3
199.04022	0.5
199.07556	0.4
200.04721	0.8
201.05582	33.7
201.09193	1.3
202.05933	1.8
203.03444	1.4
204.07892	0.3
215.07115	0.9
216.04230	2.7
216.07813	0.5
217.08682	1.0
217.12263	0.3
227.07216	0.5
227.09068	0.5
227.10931	0.4
245.04558	22.0
245.08195	10.7
245.11850	4.1
246.04913	1.2
246.08467	0.4
246.12233	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0455
Annotation	Isopimpinellin
Peak:m/z	Relative Intensity
61.98832	0.6
99.00913	1.7
117.03491	1.2
129.05669	0.6
145.02962	0.8
159.04572	1.0
182.65195	0.5
187.03949	0.8
190.09013	0.5
201.05579	100.0
202.05914	6.0
238.02765	0.6
245.04549	62.8
246.04895	4.5
259.67883	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0821
Annotation	3,3',4,5'-Tetrahydroxybibenzyl
Peak:m/z	Relative Intensity
53.10721	0.2
57.03437	0.4
59.01374	0.7
64.20595	0.2
67.01910	0.7
69.03457	0.6
69.43545	2.0
71.01389	10.9
73.11180	0.2
74.02473	0.9
74.52563	0.2
80.23935	0.2
81.03470	1.1
95.01385	0.5
95.05059	0.3
97.02874	0.2
98.02512	0.2
108.02186	0.2
109.02954	1.8
116.05061	0.3
121.02978	0.4
121.06654	0.2
123.04530	0.8
125.95331	0.2
129.78618	0.2
130.04239	0.3
131.04994	0.5
133.02977	0.3
135.04562	1.8
137.02464	0.9
141.35489	0.2
145.02956	0.5
145.06575	0.6
146.03729	3.1
147.04527	2.3
148.05307	0.5
149.06113	0.5
151.07620	0.4
155.04987	0.3
156.76595	0.2
158.03743	2.3
159.04526	25.5
160.05307	4.2
161.02481	0.3
161.06120	1.4
163.04008	2.6
163.07707	1.2
170.03745	0.5
171.04475	0.6
171.08121	0.9
172.03802	0.5
172.05313	13.2
173.06088	17.7
174.03264	1.8
174.06769	2.0
175.03987	1.4
175.07658	7.0
175.57578	0.3
176.04825	0.4
176.08014	0.4
180.05882	0.3
183.04538	0.3
183.08194	0.5
184.05238	0.4
185.06082	1.5
186.06871	1.9
187.04037	7.3
187.07651	14.5
188.04799	6.6
188.08200	1.5
189.05563	2.7
189.09218	4.9
191.03461	0.4
197.06097	1.9
198.03239	1.2
198.06859	1.7
199.03918	1.1
199.07643	3.9
200.04752	0.3
200.08372	1.1
201.05624	4.3
201.09215	12.0
202.06425	1.7
202.09657	0.7
203.07077	0.8
203.08586	0.4
203.12885	1.3
204.04242	0.8
204.07948	3.6
211.07677	0.4
212.04865	1.3
212.08449	0.5
213.05280	0.3
214.02675	0.3
214.06361	0.3
215.03818	1.1
215.07129	6.2
216.04289	25.4
216.07727	5.9
217.04672	1.4
217.08696	10.4
217.12285	0.7
218.09090	0.9
225.09299	0.4
227.07198	4.3
227.10748	4.0
228.07715	0.5
229.08762	0.4
230.05945	0.3
232.07443	0.4
243.10280	0.9
244.11038	0.4
245.08189	100.0
245.11818	39.5
246.08537	6.5
246.12233	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	245.0454
Annotation	hispidin
Peak:m/z	Relative Intensity
55.01879	0.3
56.04010	0.2
59.01378	0.3
65.00351	0.5
71.61624	0.3
75.00873	0.2
83.01406	0.6
88.52866	0.3
95.01382	0.3
109.02948	0.3
113.04002	0.4
115.05562	1.1
116.05101	0.3
121.06615	0.3
130.04256	4.0
131.05048	8.0
132.05365	0.5
133.02962	1.9
134.03777	0.3
135.04536	4.5
135.05493	0.4
141.03471	2.2
143.05045	3.3
145.02965	0.5
145.06596	0.7
146.03743	0.7
155.05127	0.3
157.06406	0.3
158.03738	4.2
159.04535	100.0
160.04869	4.4
161.02452	1.2
161.06158	0.3
166.10507	0.3
171.04512	0.5
171.08104	0.3
172.05324	0.9
173.06123	2.5
174.03220	0.5
175.07751	0.3
183.04535	1.9
187.04018	2.5
187.07614	0.3
188.04831	1.8
199.03989	0.4
199.07631	0.4
200.04825	0.4
201.05589	37.2
202.06258	5.7
203.03584	1.2
203.06931	0.4
216.04236	1.6
217.05022	0.3
217.08708	2.5
221.93430	0.3
245.04553	21.0
245.08215	4.6
246.04968	1.3
246.08513	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0432
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	73.1
64.16693	3.5
64.17021	4.2
70.32825	8.5
70.33213	6.2
71.01396	33.5
72.99324	5.2
78.95918	12.5
84.74493	3.7
85.02966	4.4
89.02447	45.2
101.02445	75.1
112.98829	6.5
119.03511	100.0
131.03477	5.2
149.04630	4.4
152.99579	8.5
209.06668	31.3
245.04387	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	245.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56078	0.3
56.69466	0.3
65.00316	1.7
66.65073	0.3
69.39970	0.7
69.40385	2.4
83.01405	0.7
88.34059	0.3
89.00366	0.4
98.20744	0.6
102.89969	0.4
109.02946	0.4
113.03984	0.6
115.01904	1.4
115.05527	1.2
117.03479	0.7
121.01206	0.3
129.07053	0.4
130.04231	4.3
131.05025	7.9
132.02217	0.4
132.05388	0.4
133.02959	6.7
135.04520	2.9
139.01913	1.3
141.03479	2.5
143.05022	3.7
145.02965	1.1
145.06609	1.1
155.05028	0.9
157.01653	0.5
157.02951	5.1
157.06516	0.5
158.03748	4.5
159.04520	100.0
160.04872	4.4
161.02444	1.5
163.04059	0.6
172.01700	0.6
172.05281	1.0
173.02405	1.4
173.06071	3.3
176.79427	0.3
177.01933	0.8
183.04526	1.4
187.04025	0.6
188.01187	1.0
188.04742	0.4
189.01830	1.6
201.02246	1.9
201.05573	37.6
202.06053	2.4
203.03476	1.2
217.01425	1.4
217.08806	0.4
244.00069	0.5
245.00917	8.8
245.04561	21.2
245.08363	1.1
245.10088	0.6
245.13899	0.8
246.01204	0.6
246.04919	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0091
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89140	0.4
59.01364	1.0
61.71445	0.4
65.00324	11.3
68.99821	0.4
71.61266	0.4
73.02945	0.4
83.01378	0.5
87.02415	0.8
89.00330	2.2
89.03956	0.8
93.03493	0.4
93.05353	0.4
95.01384	0.5
97.02948	0.4
99.02431	1.4
101.03995	0.5
105.03472	0.4
109.02962	0.8
111.00870	0.4
111.02408	2.2
113.00323	1.2
115.01904	14.1
115.05535	0.9
115.19547	0.4
117.03462	3.4
119.01392	2.1
121.02978	0.5
129.07132	0.4
130.04243	4.3
131.05048	5.9
132.02144	1.7
133.02960	51.0
134.03345	1.4
135.04547	4.0
138.14813	0.4
138.15887	0.4
139.01906	13.2
140.02226	0.5
141.03520	2.1
143.05028	2.5
144.02254	0.5
145.02969	8.4
145.06610	1.1
147.00890	0.9
147.04536	1.1
149.02443	0.9
157.02953	40.5
158.03664	4.0
159.04520	100.0
160.01634	1.0
160.04863	4.6
161.02455	5.4
163.03995	4.7
164.04321	0.6
171.00877	1.5
172.01668	8.8
172.05331	0.8
173.02446	12.3
173.06096	2.6
174.03024	0.8
175.00389	1.5
175.04010	0.4
177.01926	8.4
183.04500	1.1
187.00348	3.4
187.04015	1.2
188.01158	7.7
188.04848	1.0
189.01926	15.8
189.09155	0.6
190.02328	0.7
191.03462	1.3
200.01135	0.5
201.01938	19.6
201.05566	33.4
202.02356	1.0
202.06133	3.3
202.99918	2.6
203.03519	1.3
204.00656	0.8
215.11459	0.4
216.00679	1.1
217.01419	9.6
217.08696	1.0
218.01732	0.6
244.00134	4.8
245.00925	72.5
245.04575	20.1
245.08217	1.9
245.10255	1.7
245.13942	3.9
246.01254	4.3
246.04919	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98307	0.4
56.17603	0.3
59.01388	0.7
61.98833	11.8
62.63961	0.3
67.01893	1.1
71.15994	0.7
91.69578	0.3
93.03493	0.4
97.53831	0.4
98.20201	0.4
99.92590	0.7
110.02480	0.5
111.00877	2.2
115.92007	0.4
119.92413	0.4
154.99870	0.7
177.44066	0.4
181.15959	0.8
183.17598	1.8
197.19122	1.5
197.90738	2.2
198.29222	0.4
225.18620	2.0
241.18066	1.1
243.02957	0.5
243.19655	100.0
243.89908	2.2
244.06102	0.4
244.20010	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	243.1965
Annotation	2-Hydroxymyristic Acid
Peak:m/z	Relative Intensity
55.01876	0.4
57.03447	0.3
59.01378	0.2
61.98838	2.7
63.65924	0.2
65.74313	0.2
66.99982	0.2
67.01910	0.4
70.13015	0.5
70.13432	0.4
72.99306	0.3
78.08725	0.2
83.05051	0.2
98.20658	0.2
99.92607	0.5
111.00888	0.7
128.63216	0.2
132.41406	0.2
152.77991	0.2
169.16089	0.9
180.51028	0.2
193.15945	0.8
195.17551	4.9
197.19112	73.0
197.90605	0.5
198.19441	3.9
225.14871	0.3
225.18613	1.7
241.18037	0.6
243.19649	100.0
243.90057	0.4
244.19984	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	243.1965
Annotation	2-Hydroxymyristic Acid
Peak:m/z	Relative Intensity
51.11636	0.6
59.01374	1.0
61.98520	0.8
61.98833	14.3
67.01877	0.8
71.01391	0.6
71.32220	1.6
111.00896	1.4
117.93973	0.5
119.23189	0.5
143.04979	0.6
181.15982	0.8
197.19116	4.8
197.90627	2.2
225.14879	1.7
225.18550	1.1
241.18105	1.3
242.62602	0.6
243.03177	0.6
243.06433	1.4
243.16147	4.8
243.19643	100.0
243.89914	2.2
244.20000	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	243.1965
Annotation	2-Hydroxymyristic Acid
Peak:m/z	Relative Intensity
59.01372	0.6
61.98832	3.0
67.01890	0.4
73.47549	0.3
93.07657	0.2
98.19859	0.6
98.20547	1.0
111.00916	0.6
139.22865	0.4
159.87469	0.3
167.98514	0.3
195.17523	0.6
197.19101	4.7
197.90588	0.4
225.18643	1.8
241.18074	0.9
243.02870	0.5
243.19643	100.0
243.89955	0.5
244.19968	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	243.1602
Annotation	1,11-Undecanedicarboxylic acid
Peak:m/z	Relative Intensity
57.03452	0.7
59.01389	0.4
61.86318	0.3
61.98831	3.6
69.30222	0.8
69.30630	2.6
73.89992	0.3
74.77461	0.3
87.29374	0.3
111.00877	0.5
154.99883	0.4
179.14471	0.5
181.15991	42.7
182.16336	2.6
197.90671	0.7
199.04033	0.5
199.17029	1.0
225.14972	55.6
226.15285	3.8
243.16010	100.0
243.19922	2.5
243.89912	1.3
244.16356	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	241.2174
Annotation	Pentadecylic acid
Peak:m/z	Relative Intensity
53.45094	0.4
61.98851	0.7
70.60483	0.4
71.51202	0.6
81.58942	0.4
103.92020	0.5
105.58536	0.4
116.24525	0.4
241.21750	100.0
242.22081	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	243.124
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
57.03441	0.9
59.01374	1.1
71.05028	3.4
71.61203	0.9
83.05014	1.7
97.02940	4.8
97.06590	1.4
99.00884	15.4
107.57162	0.7
109.06599	1.3
110.03714	1.5
111.00845	0.9
111.67144	0.7
123.08102	0.7
125.09712	5.9
130.88818	0.9
136.05209	0.6
142.02731	1.0
147.08371	0.6
155.14420	1.8
161.04794	1.5
163.11330	6.5
181.12363	17.3
182.12682	1.2
197.11737	0.7
199.13414	10.5
207.10275	34.7
208.10574	2.1
214.62410	0.8
225.11336	66.4
226.11673	4.6
243.10522	3.6
243.12386	100.0
244.12691	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	241.1809
Annotation	SCHEMBL1717294
Peak:m/z	Relative Intensity
55.60742	0.3
57.03456	0.5
57.90886	0.3
59.01363	0.5
61.98837	3.4
69.03455	0.4
69.67645	0.4
70.19437	1.1
79.95754	0.5
81.03474	0.4
103.92036	1.8
111.00916	0.4
118.91859	0.5
122.30544	0.4
136.67911	0.3
149.91263	0.4
181.15974	1.5
184.00137	2.6
196.08417	0.4
213.91632	1.1
222.98886	0.4
225.02589	0.5
239.80544	0.3
241.05174	0.5
241.07236	2.0
241.18094	100.0
241.21964	2.9
241.57584	0.3
242.18448	5.9
242.20859	0.6
242.21765	0.3
248.00861	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	21.9
71.01385	19.5
71.60793	7.9
72.99316	9.1
75.00877	10.5
78.95908	9.5
83.01366	14.7
99.00900	40.7
111.00842	21.2
112.98818	97.1
113.55319	6.9
115.00386	9.7
124.98798	15.3
129.01942	20.3
142.99873	91.9
145.01437	12.6
152.74391	7.6
153.05515	6.8
173.00897	100.0
198.95647	6.6
205.03555	33.0
208.98569	20.7
213.05328	8.8
241.01340	13.5
241.05113	12.7
241.08382	8.5
241.21609	10.9
242.05865	9.9
245.42717	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	241.0121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	21.9
71.01385	19.5
71.60793	7.9
72.99316	9.1
75.00877	10.5
78.95908	9.5
83.01366	14.7
99.00900	40.7
111.00842	21.2
112.98818	97.1
113.55319	6.9
115.00386	9.7
124.98798	15.3
129.01942	20.3
142.99873	91.9
145.01437	12.6
152.74391	7.6
153.05515	6.8
173.00897	100.0
198.95647	6.6
205.03555	33.0
208.98569	20.7
213.05328	8.8
241.01340	13.5
241.05113	12.7
241.08382	8.5
241.21609	10.9
242.05865	9.9
245.42717	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	239.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61695	0.2
59.01372	0.9
59.96721	0.7
61.98823	0.4
70.62177	0.5
74.99078	12.3
75.96229	0.2
75.99026	0.3
85.41829	0.2
87.00870	0.2
87.05542	0.2
91.02216	9.8
93.00140	4.5
97.22928	0.2
98.19901	0.2
105.82955	0.2
149.00957	5.9
150.98903	0.2
161.04521	0.2
179.05592	1.1
201.43167	0.2
206.99693	2.7
207.99870	0.2
223.02841	100.0
224.02888	7.4
239.05966	0.8
239.12904	0.3
239.16417	0.3
241.03891	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.129
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
54.73581	0.4
56.39542	0.4
58.44228	0.4
59.01371	1.1
60.25480	0.4
63.79670	0.4
70.89594	0.7
70.89941	0.8
95.05046	1.1
101.06090	7.1
109.06602	5.2
110.52103	0.5
111.08170	5.8
112.11052	0.4
125.09735	0.8
138.06851	0.7
139.04025	14.1
139.07697	0.7
151.11348	0.7
154.06369	32.4
155.06801	0.7
165.12823	0.5
167.14424	8.9
179.05609	1.3
179.10788	4.9
182.05812	3.8
195.13907	100.0
196.14258	4.1
197.09798	0.5
223.02768	0.5
239.12866	6.3
240.13167	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1497
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
53.31038	0.3
54.74920	0.3
58.19602	0.3
59.01386	2.3
61.98827	1.4
71.01391	0.5
71.16845	0.7
72.78540	0.4
75.00880	12.2
81.03486	0.7
85.03001	0.5
93.03475	0.6
96.96037	0.5
109.02960	0.6
112.94733	0.4
121.02959	0.8
122.11919	0.3
133.02965	5.4
135.04529	1.3
149.06099	3.0
153.09282	0.4
153.12866	3.4
155.53876	0.4
161.02451	26.1
162.02791	1.3
164.96404	0.4
164.98199	0.5
167.14369	0.9
175.14877	0.6
178.14349	0.4
179.03542	0.6
193.01405	0.5
193.15979	100.0
194.16325	5.3
195.13902	14.7
196.14227	0.5
227.05739	0.4
237.04044	1.1
237.11136	1.0
237.14963	33.8
238.15199	1.8
245.39201	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30322	0.3
60.20482	0.4
70.49031	1.3
75.00880	42.4
109.02977	0.7
132.02202	0.7
133.02968	19.6
134.03278	0.8
135.04556	3.3
145.03018	0.6
149.06099	8.8
161.02452	100.0
162.02792	5.3
163.04041	0.8
164.82170	0.4
179.03491	1.5
193.05103	0.9
193.29121	0.5
229.20459	0.4
237.04112	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20102	0.4
65.62490	0.4
70.95657	1.0
71.01373	0.4
72.99314	0.7
75.00877	49.0
87.57765	0.5
89.06070	0.5
94.84535	0.4
109.02956	0.8
121.02937	0.9
132.02209	1.2
133.02969	22.9
134.03319	0.9
135.04546	3.8
145.70113	0.4
147.04564	0.8
148.05167	0.5
149.06107	3.4
161.02452	100.0
161.64641	0.4
162.02783	3.6
163.04041	0.4
165.05617	0.5
179.03517	1.6
193.05106	0.5
219.05190	2.2
237.04019	3.3
237.09294	0.5
237.15015	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64399	0.2
59.01390	0.4
61.98845	0.5
70.63210	0.4
75.00872	1.5
80.42899	0.2
85.02999	0.2
94.03006	0.3
102.57169	0.2
102.98177	0.2
105.06944	0.2
133.02940	0.5
134.03746	0.6
135.04524	0.5
136.05312	0.8
148.05312	8.7
149.06047	0.9
149.09688	1.2
161.02451	2.5
162.06918	0.5
175.07582	0.3
176.08430	0.6
177.09215	42.6
178.09586	1.9
180.07918	0.3
190.09964	1.8
191.10774	0.9
192.11568	30.7
193.12009	1.9
201.09193	0.7
203.07130	0.5
217.08713	3.3
218.09479	8.5
219.09866	0.7
236.10538	100.0
237.10907	6.2
237.14819	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65819	0.4
51.92364	0.4
70.56974	0.5
70.57326	0.9
72.99281	0.4
75.00877	52.4
95.48917	0.3
100.24972	0.4
109.02980	0.5
132.02155	1.0
133.02966	21.2
134.03365	0.5
135.04523	3.1
145.03015	1.0
147.04509	0.5
148.05292	0.9
149.06073	11.2
161.02452	100.0
162.02802	4.4
163.03999	1.0
167.41226	0.4
178.78825	0.4
179.03522	1.6
193.05060	1.4
202.51450	0.4
221.90120	0.4
237.04012	3.4
257.38022	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1342
Annotation	2-Methoxy-6-heptyl-1,4-benzoquinone
Peak:m/z	Relative Intensity
57.03487	0.8
59.01376	1.3
70.88625	1.1
70.88979	1.6
71.01386	1.3
72.99312	1.1
75.00879	0.8
83.01394	1.2
83.05054	0.7
84.24424	0.7
93.03466	1.8
94.02958	0.9
94.33197	0.7
94.69515	0.7
105.03497	0.8
119.05074	1.9
121.02923	1.0
121.06601	2.8
129.03519	0.8
133.02931	3.5
135.04465	1.0
145.02989	1.4
147.04530	5.6
147.08150	1.5
148.05283	2.3
149.09732	1.0
157.10228	15.8
161.02461	9.2
163.03923	0.8
173.13361	100.0
174.13756	5.1
181.43208	0.7
191.03525	1.6
193.03946	1.4
213.87454	0.8
217.06372	0.9
235.02567	1.8
235.10049	4.3
235.13405	93.6
236.13774	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	235.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19366	1.9
55.01885	9.3
57.03436	6.8
58.00587	4.4
59.01383	67.0
66.26945	1.4
68.99828	1.7
69.96053	2.6
69.96450	5.4
71.01389	76.0
71.05024	4.0
72.01711	1.8
72.99313	9.7
73.02950	35.3
73.06588	1.6
75.00889	7.5
83.01395	21.1
85.02431	3.1
85.02951	49.3
86.00091	3.0
87.00889	3.4
89.02451	5.2
94.02946	1.6
95.01383	5.6
97.02971	2.3
99.00892	15.1
101.02449	100.0
106.17641	1.6
111.00881	2.4
113.02454	32.6
119.05039	3.5
129.01950	4.2
130.80858	1.5
133.02954	4.5
135.04501	2.5
145.02910	2.0
147.04482	7.2
159.02997	7.6
161.02473	22.4
161.04527	13.2
163.03990	3.3
181.62817	1.6
191.03557	3.0
191.07147	3.8
234.06801	1.8
235.02501	2.5
235.07611	5.3
235.09688	3.5
235.11768	19.0
235.16817	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0129
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88369	1.1
67.41348	0.9
69.61062	5.7
72.99268	1.1
73.01177	6.6
75.00868	5.5
76.01274	1.0
80.05048	1.5
82.02975	6.1
84.05927	0.9
85.47713	1.0
93.03452	1.9
94.72193	1.1
96.04558	27.9
98.29614	0.9
98.99111	5.7
107.05033	5.3
108.04562	28.9
109.02951	4.9
110.03293	1.5
114.00198	76.8
115.00537	1.5
117.03481	1.1
119.04932	0.9
121.02965	3.0
135.04498	2.3
142.03326	100.0
143.03676	2.1
145.02992	2.7
147.04468	1.7
151.04007	8.8
153.30971	1.1
158.98436	1.1
159.04514	1.2
161.02452	2.2
163.04047	1.6
186.02306	36.3
187.02502	1.4
187.04059	2.0
188.04846	1.5
191.03490	2.2
213.05528	1.1
218.90729	1.0
230.01274	71.9
230.99651	5.1
231.01654	3.4
231.06635	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	233.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	2.5
59.96735	0.5
73.01160	0.2
74.99072	8.2
75.96263	0.3
91.02205	1.0
93.00131	2.8
118.96248	1.0
130.36435	0.2
134.98409	0.4
134.99416	7.0
135.99365	0.5
136.97333	2.9
141.07439	0.2
143.05319	0.7
144.97876	0.2
149.00963	72.5
150.00922	3.2
150.98894	0.8
159.08517	2.1
161.06425	4.4
164.76930	0.2
167.01999	0.5
192.41379	0.2
201.04169	0.5
215.05638	0.8
217.07219	100.0
218.07362	7.0
233.10349	94.9
233.15346	10.2
234.10478	7.3
234.15747	0.8
235.08252	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1501
Annotation	Huperzine W
Peak:m/z	Relative Intensity
59.01383	6.4
60.01706	1.3
61.98843	1.0
64.00134	0.5
65.23354	0.4
65.29453	0.4
71.17021	0.9
72.85624	0.4
89.39192	0.4
94.02989	0.6
98.27667	0.4
114.15334	0.5
136.59409	0.4
147.04536	0.9
149.50038	0.5
151.07552	0.5
161.02434	1.6
163.00407	0.5
172.68124	0.4
179.07144	0.7
189.98741	0.6
216.46698	0.4
217.06209	0.5
218.11830	2.3
234.14987	100.0
235.13248	0.5
235.15343	7.4
251.11624	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1446
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
52.97782	0.3
53.09204	0.4
57.03455	0.5
69.49246	2.5
75.46805	0.4
139.11287	0.6
155.06752	0.4
165.12802	0.7
167.14421	37.2
168.14771	1.5
169.31731	0.4
172.87737	0.4
185.15411	1.0
188.31160	0.4
204.04488	0.4
211.13393	46.1
211.42534	0.4
212.13712	2.2
229.14442	100.0
229.18134	5.1
230.14777	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	229.181
Annotation	2-hydroxytridecanoic acid
Peak:m/z	Relative Intensity
61.98841	0.7
69.44570	1.2
69.44965	3.4
72.99327	0.7
99.20512	0.5
99.92624	2.5
100.92641	0.6
116.92891	2.0
125.76473	0.5
141.88525	0.5
155.14398	0.6
157.06419	0.5
162.04437	0.5
179.14388	1.0
181.15965	4.3
183.17540	76.1
184.17879	4.4
185.06079	0.9
210.12161	0.6
211.17039	1.9
227.16570	1.0
229.05165	1.1
229.14378	2.8
229.18079	100.0
230.18457	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1809
Annotation	O-11
Peak:m/z	Relative Intensity
57.03432	0.7
59.01373	0.7
60.69851	0.3
65.00312	0.9
69.26960	0.4
69.27370	3.2
70.04057	0.3
74.55730	0.3
80.20036	0.3
81.21741	0.3
88.19942	0.3
103.76758	0.3
125.02474	1.6
130.48599	0.3
181.15990	0.4
183.17549	5.2
211.17047	2.3
227.16505	0.8
229.04860	1.1
229.18076	100.0
229.91922	0.4
230.15834	0.4
230.18393	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	227.1654
Annotation	Tectoionol A
Peak:m/z	Relative Intensity
57.03467	0.8
59.01362	0.4
61.98816	0.7
65.00321	0.4
67.01881	0.5
70.76104	0.9
70.98072	0.3
80.70686	0.3
83.01394	0.3
83.05066	0.3
89.04222	0.3
95.01383	0.5
99.92591	0.9
111.00883	0.9
115.67267	0.3
127.71222	0.3
137.18167	0.3
139.11261	0.4
154.99866	0.5
164.98289	0.4
165.12817	0.9
167.14418	1.5
179.86743	0.3
183.13899	2.4
183.17500	0.9
209.11830	1.3
227.03481	0.8
227.12846	2.7
227.16542	100.0
227.20178	5.4
228.16890	5.3
228.20334	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95930	0.2
67.07421	0.2
69.79656	1.2
72.00916	19.3
95.82473	0.2
98.99622	0.5
100.00416	46.3
101.00746	0.6
103.64900	0.2
116.05076	5.5
130.06635	15.8
131.06984	0.5
142.06630	100.0
143.06978	4.1
157.07742	0.5
158.06085	0.8
183.05611	0.5
185.07216	4.2
185.08844	0.3
186.05609	29.8
187.05991	1.3
229.06178	15.1
230.06563	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41708	0.2
68.02728	0.3
69.54607	0.5
69.55015	1.3
72.00916	20.2
73.01250	0.4
98.99606	0.3
100.00416	41.5
101.00747	0.4
116.05069	5.4
130.06639	15.0
131.07016	0.5
142.06631	100.0
143.06960	4.2
157.07770	0.6
158.06125	0.8
185.07259	4.7
186.05618	31.9
187.05986	1.4
211.13358	0.4
229.06201	14.2
229.12364	0.5
229.14453	0.9
229.18091	0.3
230.06551	0.8
240.65581	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.062
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88556	0.2
53.49920	0.2
60.22643	0.2
71.61012	0.3
72.00916	13.8
91.81261	0.3
100.00416	33.1
101.00796	0.3
105.40645	0.2
116.05062	4.4
122.03745	0.3
130.06635	15.9
131.07011	0.3
142.06633	100.0
143.06973	3.7
146.06131	0.3
157.07732	0.8
158.06174	0.7
185.07234	3.7
186.05615	30.9
187.05978	1.5
191.28680	0.3
209.38176	0.2
229.06200	13.9
229.08470	0.7
229.14417	0.6
230.06435	0.9
245.48128	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1289
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
50.95520	0.5
51.55510	0.4
57.87254	0.4
59.01396	0.8
64.51310	0.4
69.29656	0.5
71.05029	1.1
71.61362	0.5
74.53670	0.4
79.30428	0.4
80.02679	1.5
81.03461	1.9
83.01382	0.5
83.05034	6.3
84.02170	4.0
85.02953	0.5
91.12167	0.4
95.05027	1.2
97.06575	0.5
108.02163	0.5
111.24006	0.5
123.71915	0.5
125.06095	1.1
135.08160	1.3
139.11324	0.9
162.89507	0.5
163.11273	5.9
165.12868	4.1
181.12306	0.8
183.00507	1.0
183.04448	0.9
183.13870	1.7
191.10802	1.3
197.09796	0.5
199.07527	0.6
209.11836	100.0
210.12131	4.8
220.25031	0.5
227.03578	2.6
227.07130	4.3
227.10767	1.4
227.12886	6.0
227.16528	1.1
227.20175	4.9
228.10368	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78487	0.2
52.61081	0.1
53.34621	0.2
80.79445	0.2
81.44759	0.2
100.42407	0.2
121.02953	1.9
150.57317	0.2
150.95131	0.2
154.22134	0.2
167.05072	0.3
183.04506	0.8
184.05316	2.8
195.04536	0.2
211.04012	100.0
212.04669	14.6
213.05128	0.6
214.28976	0.2
227.07147	68.7
228.07471	4.1
229.73631	0.2
241.92546	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0927
Annotation	Decarestrictin E
Peak:m/z	Relative Intensity
57.02073	0.4
59.01377	0.9
60.76326	0.4
69.89938	2.0
70.05042	0.4
71.01389	0.5
72.99314	100.0
73.99653	0.8
75.00877	2.5
75.72841	0.3
79.95734	0.9
85.44748	0.4
96.33734	0.4
97.03003	0.5
98.19933	0.5
116.23776	0.4
122.03734	0.6
125.06070	0.5
137.06058	0.7
138.06844	2.4
139.07658	3.3
151.07671	3.9
152.08437	4.3
153.09146	1.4
165.09229	5.1
183.13806	0.6
193.84111	0.4
209.08266	2.1
226.06322	0.7
226.99953	0.5
227.07108	5.7
227.09235	35.3
227.20111	2.0
228.07492	0.5
228.09547	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1497
Annotation	Annuionone E
Peak:m/z	Relative Intensity
53.19199	0.5
57.03455	0.7
59.01382	4.9
61.98836	20.3
65.00318	1.0
67.45758	0.5
69.92460	0.6
69.92735	2.4
71.01374	0.6
75.00867	0.7
75.51277	0.5
83.05045	1.2
93.03458	5.0
98.19885	0.8
109.02911	0.7
117.11131	0.5
126.90453	0.5
136.98810	1.3
137.02420	1.1
140.57391	0.4
152.37982	0.5
163.00352	0.7
163.11264	1.4
163.14839	1.1
165.02002	0.6
169.12253	1.1
177.12856	0.6
179.14479	0.5
181.12335	2.0
181.16000	0.9
189.12752	0.5
195.03026	0.7
195.13921	9.4
197.15485	4.8
206.99452	0.7
207.10274	1.4
207.13913	24.2
208.14304	1.6
225.00427	1.5
225.11336	5.0
225.14964	100.0
225.92664	5.4
226.15337	5.4
248.46262	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02323	0.9
57.03453	2.3
59.01384	19.6
67.59990	0.9
68.99825	2.1
69.46764	8.9
71.01387	10.9
72.99309	1.6
74.99376	3.9
75.00861	1.8
83.01396	4.1
85.01445	1.3
85.02954	4.5
87.00831	1.3
89.00947	1.7
99.00895	13.4
101.00948	10.4
102.98861	2.1
111.00886	10.6
112.98822	26.4
115.00363	1.4
115.02496	2.4
117.00453	100.0
118.00534	5.6
124.98793	0.9
129.01947	4.3
131.02014	78.7
132.02110	5.0
137.86548	1.0
141.00449	3.3
142.99867	2.2
143.01996	3.4
144.99927	7.3
151.04005	1.7
156.99934	28.9
158.00044	2.1
159.01500	4.6
168.99940	5.5
171.01491	2.5
173.00931	8.2
182.99818	1.7
183.13831	1.4
184.99339	1.3
196.99500	1.7
199.01015	10.0
227.00710	5.9
227.07182	2.7
227.16528	1.1
227.20195	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	225.1133
Annotation	12-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
56.02497	0.8
57.03448	1.0
59.01374	12.0
59.82634	1.0
61.98828	1.7
65.00320	1.9
69.63039	4.4
71.01386	1.0
75.21925	0.8
83.05023	2.7
83.06902	0.8
93.03461	3.9
95.05001	1.1
109.06605	5.6
136.98813	2.9
137.02426	1.5
145.10237	1.5
150.90852	0.9
153.19695	0.9
163.00371	0.9
163.11298	11.0
164.11646	1.1
181.12347	100.0
182.12674	5.3
187.05325	0.8
195.02982	1.3
206.99394	1.1
207.10272	6.3
225.00587	1.1
225.11337	36.8
225.14630	4.1
225.18541	1.0
226.11794	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1135
Annotation	12-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
59.01385	7.6
59.37537	0.5
61.98828	2.2
65.04522	0.5
69.87546	1.9
69.87962	1.1
83.05026	0.9
93.03455	2.1
96.82799	0.6
99.47582	0.6
121.10209	0.5
134.26933	0.8
137.02408	0.8
137.09769	0.7
163.11285	5.1
165.09212	0.8
170.78552	0.6
181.12347	100.0
182.12698	4.7
183.10292	2.9
203.29468	0.6
207.10260	1.3
225.00453	0.8
225.05608	0.8
225.11325	4.9
225.18619	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0976
Annotation	2,4-Dihydroxy-6-pentylbenzoate
Peak:m/z	Relative Intensity
50.90782	1.7
59.01100	3.4
59.01385	64.1
60.34380	1.5
61.87775	1.5
61.98833	5.0
65.27858	1.5
65.30251	1.7
66.52576	1.7
69.03457	2.4
70.20251	7.0
71.01366	3.0
74.99070	1.5
75.00874	5.3
83.01289	1.5
93.03445	1.6
97.02909	1.7
106.04248	2.1
107.05083	2.0
107.08683	8.4
109.03036	2.0
115.38977	1.5
135.00912	1.7
135.10896	2.3
135.11821	27.5
151.00310	1.6
159.08122	1.6
161.09732	8.9
165.01949	2.3
173.00192	1.8
177.09138	3.3
179.10780	100.0
180.11092	5.9
185.07138	2.4
193.01460	3.9
202.12299	1.4
202.21103	1.5
208.03720	3.7
223.02759	10.0
223.06021	3.5
223.07895	3.2
223.09814	3.5
223.13359	6.0
223.16934	1.7
230.55556	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0977
Annotation	2,4-Dihydroxy-6-pentylbenzoate
Peak:m/z	Relative Intensity
52.66123	2.6
58.60076	3.6
59.01382	70.6
61.98834	3.1
69.69243	16.9
77.16193	3.0
79.20039	3.2
106.04234	3.9
107.08661	6.4
113.32535	3.2
133.10252	5.0
135.11827	32.9
161.09715	7.9
179.10786	100.0
180.11125	5.8
223.02766	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	223.134
Annotation	Jhanilactone
Peak:m/z	Relative Intensity
57.03440	1.7
59.01382	5.1
59.03880	0.9
63.12235	0.8
69.03457	8.1
70.37532	3.0
71.04989	1.7
83.05028	1.6
85.06593	1.2
90.42188	0.8
95.05054	1.2
109.06561	2.5
114.86202	0.8
135.11752	1.3
141.09253	1.1
149.09737	2.5
161.13377	1.4
167.10771	8.4
177.12798	1.5
179.10794	4.3
179.14438	9.7
195.13896	27.0
196.14322	1.3
200.49976	1.1
205.12320	24.1
206.12637	1.6
223.13393	100.0
224.13805	6.0
227.23328	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1547
Annotation	(-)-Kobusone
Peak:m/z	Relative Intensity
56.15167	0.1
59.01378	0.6
63.31907	0.1
70.31548	0.4
71.51881	0.1
75.00879	0.4
117.38786	0.2
119.05009	0.2
127.07703	0.8
133.06592	0.3
145.02927	1.0
148.05275	0.3
149.06053	0.7
151.07675	0.4
164.08443	2.3
165.09207	0.2
177.05582	0.3
205.12364	1.7
206.12639	0.8
207.13950	1.3
220.14693	4.0
221.15462	100.0
222.15811	6.2
235.13397	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0285
Annotation	Foetisulfide A
Peak:m/z	Relative Intensity
59.01370	0.2
59.96729	1.1
61.98838	1.2
66.44526	0.1
67.48286	0.1
69.58788	1.1
74.99078	16.4
75.96245	0.9
75.96614	0.2
75.99040	0.2
79.52502	0.1
82.18996	0.1
82.37059	0.1
82.88770	0.1
93.00140	7.4
107.05059	0.2
120.19648	0.2
124.55444	0.1
149.00969	12.6
150.01013	0.3
150.98883	0.6
152.96819	0.2
159.97435	0.2
166.43298	0.1
193.01366	0.2
194.10881	0.1
206.99716	5.6
207.99878	0.4
208.03864	0.2
223.02847	100.0
223.13231	0.8
224.02893	7.9
225.00771	0.3
241.03889	1.8
242.04028	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0456
Annotation	Fraxinol
Peak:m/z	Relative Intensity
55.01875	2.1
58.35409	1.1
70.79203	2.6
75.00877	59.3
83.01393	40.4
91.05544	2.7
93.03464	48.3
107.05019	6.0
108.02145	1.6
110.26635	1.1
117.03472	25.3
119.05031	31.8
120.05325	2.2
121.02988	2.1
121.06644	1.0
121.49072	1.1
130.04187	1.1
131.05034	5.5
132.05833	7.2
133.02963	1.7
133.06607	78.3
134.03741	2.0
134.06926	3.4
135.04489	3.0
145.02963	100.0
146.03275	4.1
147.04549	30.7
148.05302	3.3
149.06097	29.9
150.06421	1.4
158.03693	1.6
159.04597	6.3
161.02422	4.8
163.03978	4.3
165.05568	7.8
177.05574	52.8
178.05896	3.1
193.05037	12.8
221.04553	25.8
222.04993	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	3.3
58.18821	2.6
59.01385	62.7
71.01381	29.0
71.61842	4.5
73.02946	19.9
75.00874	68.3
83.01395	26.0
85.02953	15.2
87.00895	6.7
89.02467	3.6
91.12135	3.4
93.03457	34.3
101.02443	15.3
107.05052	4.7
113.02454	35.7
117.03504	20.2
119.05037	24.5
121.02959	3.6
131.03532	6.8
131.05003	3.3
133.06601	51.2
133.34221	3.1
135.04538	3.6
145.02954	100.0
146.03310	3.4
147.04501	20.1
148.05379	3.0
148.86234	3.3
149.06073	20.3
159.04460	4.2
163.04048	8.1
165.05516	4.5
177.05560	37.5
193.05046	8.2
206.09511	3.5
221.04514	19.6
221.06586	9.0
221.08472	3.4
221.11855	10.8
221.15437	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	217.0507
Annotation	Ancistronaphthoic acid B
Peak:m/z	Relative Intensity
50.11314	0.9
59.01362	1.2
65.78896	1.0
70.63316	2.8
71.01387	100.0
71.19102	1.0
72.01712	1.1
87.15560	0.9
89.04015	1.3
93.03474	1.7
95.05016	4.0
115.05603	1.6
117.03491	6.1
119.78854	1.0
123.04555	1.5
130.04250	3.3
131.05016	2.6
133.02969	81.2
134.03299	3.2
143.05019	8.9
145.01851	2.1
145.02959	33.4
145.06639	1.9
146.03749	40.6
147.04549	7.0
158.03746	12.7
159.04518	12.9
160.05144	3.1
161.02415	2.1
161.06093	32.2
171.04510	7.6
172.05336	5.7
173.02458	1.8
173.06085	44.2
174.03236	17.7
174.06456	2.3
175.04022	1.3
187.04001	7.6
188.04724	2.7
189.05573	66.2
190.05890	2.8
199.04036	7.4
202.06392	1.3
216.54767	1.0
217.05055	61.2
217.08630	5.0
218.05360	2.5
237.31511	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.087
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97017	0.3
57.03449	2.3
69.59396	2.6
71.01376	1.6
84.57648	0.4
87.53724	0.4
95.05013	0.5
109.02966	1.2
117.03442	0.4
129.07130	0.4
130.04283	0.5
131.05032	0.6
133.02972	1.4
135.04517	0.8
143.05113	0.4
144.05867	0.4
145.02959	7.8
145.06630	2.0
146.03720	1.5
147.04468	1.2
155.05011	0.9
156.05794	0.6
158.03726	6.3
159.04524	27.3
160.05304	11.4
161.02412	0.9
161.05939	1.4
162.03181	0.6
163.04045	1.2
171.04512	0.9
171.08112	1.2
171.10347	0.6
172.05321	1.1
173.02478	1.2
173.06081	43.6
174.03265	3.4
174.06839	9.3
175.04086	0.7
175.07610	0.9
175.11293	1.2
186.03238	0.5
187.04008	9.4
187.07619	4.4
188.04793	78.5
189.05237	4.6
189.09210	7.1
191.03413	0.4
194.63652	0.4
197.06076	0.7
199.07649	3.9
199.11417	0.4
201.05539	2.0
201.09261	0.7
202.06192	1.7
203.07225	0.7
215.07121	3.0
216.07848	2.3
217.05067	2.6
217.08704	100.0
217.12303	6.2
218.09071	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	216.8969
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.9
62.90415	0.1
69.81120	0.4
69.81544	0.5
71.01410	0.2
71.90910	0.1
72.99322	0.2
78.95905	2.3
79.95747	0.5
90.97137	0.2
94.78495	0.2
96.96038	0.3
98.20571	0.3
117.00443	0.8
119.93713	0.2
132.98204	1.3
136.94017	100.0
136.99149	0.6
137.94084	6.0
145.94067	0.3
154.90582	0.2
154.95096	0.6
156.90274	3.2
156.91330	0.4
157.90358	0.2
162.73953	0.2
168.99910	0.6
174.99251	1.6
178.95067	0.2
198.89549	0.6
216.90829	32.0
217.00261	1.3
217.02037	0.3
217.90596	1.4
234.90645	9.0
235.90961	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.003
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35992	0.3
59.01384	100.0
60.01712	1.0
62.82413	0.4
69.24096	4.3
72.99336	0.6
73.02964	0.5
90.97163	1.6
92.36928	0.4
92.66175	0.4
98.19830	0.7
110.95415	0.4
114.98867	2.4
118.96638	0.6
121.30542	0.4
132.98201	2.8
156.99933	3.7
174.99258	28.2
175.99666	0.6
217.00298	27.3
218.00551	1.0
218.98210	0.5
232.25142	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01716	0.8
61.98832	7.0
63.87957	0.4
65.68113	0.5
69.88194	2.7
88.62611	0.6
90.97145	1.2
114.09281	0.5
118.96637	1.0
122.89434	1.6
124.89137	32.9
125.89136	0.6
131.03760	0.5
132.98195	3.3
146.06117	0.8
170.88425	3.4
174.05634	0.7
174.99252	30.2
188.89479	19.0
216.80319	1.2
216.87784	1.4
217.00298	25.9
218.00862	0.8
218.04639	3.0
218.06474	0.6
218.98055	0.6
220.09071	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1652
Annotation	7-Hydroxydodecanoate
Peak:m/z	Relative Intensity
59.01379	2.8
61.98833	6.6
65.00319	4.7
70.25262	0.8
71.01390	1.9
71.60343	1.2
72.99338	0.8
73.02940	0.9
75.26920	0.8
76.40556	0.8
81.99051	0.8
82.71697	0.7
99.00900	2.2
99.92641	1.0
101.99400	0.9
108.99343	1.2
112.84471	0.8
115.92113	1.4
116.92911	0.9
122.89439	23.0
135.04517	1.4
144.00908	7.4
152.98268	1.7
165.12787	0.8
167.14439	6.1
168.88705	1.1
169.15985	91.0
170.16319	3.9
171.01973	1.6
186.89769	14.7
187.03955	1.1
196.56627	0.9
197.11977	1.0
197.15521	2.6
197.85704	0.9
213.14961	1.3
215.00999	65.6
215.07120	2.7
215.13029	2.9
215.16522	100.0
216.01308	4.4
216.16815	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	211.1341
Annotation	Putaminoxin
Peak:m/z	Relative Intensity
59.01386	7.6
69.03468	1.0
70.92724	0.9
79.02390	0.5
81.03442	0.6
83.05035	1.7
97.06577	0.4
121.10261	1.1
130.22345	0.4
149.13368	2.3
155.10736	0.9
163.11278	1.4
165.12883	0.8
167.10756	1.6
167.14432	1.3
175.11395	0.9
180.69220	0.4
181.12360	17.6
181.13940	1.0
182.12672	0.9
183.13913	5.3
191.10806	0.5
193.12344	33.2
194.12737	1.3
211.13403	100.0
212.13760	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	213.0559
Annotation	3-Phenoxybenzoic acid
Peak:m/z	Relative Intensity
56.91886	0.2
63.78088	0.2
65.00321	0.4
68.56651	0.2
69.35422	1.9
69.35832	0.5
69.38635	0.2
82.60282	0.2
91.01904	34.5
92.02254	0.6
98.19922	0.5
107.01403	0.3
119.05028	0.4
121.03005	0.8
135.00897	31.6
136.01212	0.9
141.07109	0.8
143.05045	0.8
153.01952	8.6
154.02327	0.3
154.04250	0.4
169.06607	13.2
170.06934	0.7
171.04550	0.8
213.05582	100.0
213.14937	1.1
214.05920	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	213.1497
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
53.97569	0.4
54.14347	0.4
57.03428	0.7
59.01371	0.8
61.98840	1.3
64.02739	0.5
69.03482	0.5
71.61841	0.9
76.47958	0.5
83.05030	1.0
97.02982	0.5
97.06591	0.7
104.48160	0.5
106.34934	0.5
107.71432	0.5
111.08136	0.6
120.89937	0.8
123.00854	0.6
163.21333	0.6
165.13089	0.5
167.14412	0.6
169.06616	1.2
169.12305	0.7
176.98360	1.0
183.13943	4.9
194.99449	1.1
195.13899	4.7
197.99336	0.8
205.20306	0.6
211.13470	1.1
213.14973	100.0
213.18497	2.4
214.15355	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	215.0925
Annotation	Isoketocamphoric acid
Peak:m/z	Relative Intensity
57.03436	2.4
59.01374	1.3
62.51939	0.8
69.76257	4.5
71.04951	0.8
75.00850	3.3
83.05017	2.0
85.06609	1.3
97.06577	2.1
113.06100	1.0
121.02930	1.1
123.08136	3.7
124.07233	0.9
125.09729	16.9
127.11253	2.7
135.01024	1.8
142.00404	0.9
143.04955	1.0
143.10732	4.0
144.00874	3.1
153.09184	4.5
159.04495	2.7
160.68764	0.8
161.02370	3.1
162.02745	1.2
171.10274	100.0
172.05299	1.1
172.10585	3.5
174.86894	0.9
187.03976	2.5
200.04753	3.7
208.81384	0.9
214.96498	2.6
215.00943	15.2
215.03450	4.9
215.07095	11.3
215.09190	60.0
215.95947	1.1
216.09569	2.4
232.03661	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1653
Annotation	7-Hydroxydodecanoate
Peak:m/z	Relative Intensity
53.81451	0.5
59.01379	1.7
61.98831	4.4
65.00308	1.0
70.90993	0.6
70.91304	0.6
71.01376	0.8
75.00883	0.6
80.76685	0.5
88.81387	0.5
89.02475	0.6
96.99332	0.5
99.00897	0.8
122.89439	17.1
131.38277	0.5
135.04503	0.7
143.05090	0.7
144.00916	5.7
147.04558	0.6
152.98338	0.6
169.16028	6.0
171.01953	0.8
186.89772	11.5
197.15549	2.5
200.04916	0.6
213.15120	1.0
215.01012	39.2
215.03238	1.5
215.07115	3.4
215.16525	100.0
216.01286	1.6
216.06770	0.7
216.16876	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	209.1184
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
55.85475	0.6
57.03453	2.7
57.70623	0.7
58.00606	0.7
59.01387	3.3
61.98836	25.7
65.00346	2.1
71.01388	8.5
80.02731	0.9
81.03469	1.6
83.01402	1.8
83.05047	1.5
84.02195	0.9
91.01905	2.1
92.99855	3.7
93.03468	4.0
94.03004	2.1
95.01392	0.8
95.05020	1.1
97.06598	2.5
109.02940	1.0
109.87326	0.8
111.08155	1.8
121.02966	100.0
122.03333	2.7
123.08139	1.1
124.04053	6.2
125.09752	3.5
135.04570	1.0
136.01672	1.7
136.98822	2.0
137.02432	2.1
137.06111	1.1
137.09729	0.7
145.10257	1.1
147.11781	1.9
151.11296	14.1
153.12849	1.0
163.00282	0.8
163.11273	4.3
164.62212	2.2
164.94145	1.5
164.98293	2.2
165.01877	0.7
165.05586	0.9
165.12852	8.6
165.61304	1.6
173.09712	0.7
179.10820	2.0
181.04984	0.7
181.12370	15.9
182.03650	0.8
182.12724	1.4
191.10776	7.6
194.02318	1.2
194.05869	2.0
209.00980	3.3
209.04579	11.0
209.08542	1.5
209.11839	39.5
209.15428	1.9
209.94916	6.8
210.07660	1.0
210.12161	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.9492
Annotation	Unknow
Peak:m/z	Relative Intensity
61.57911	0.2
61.98835	100.0
70.81300	0.5
94.02994	0.2
98.60188	0.2
124.04038	0.6
163.95638	0.2
164.96391	0.4
181.85080	0.2
209.94910	29.3
210.94998	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	211.1341
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
51.61377	0.3
52.63659	0.3
59.01368	0.6
61.98831	2.1
63.03054	0.3
67.77978	0.3
69.03456	0.9
70.12673	1.3
81.03445	0.4
83.05033	0.6
89.39383	0.3
95.01376	1.0
98.19975	0.3
100.40617	0.3
118.96789	0.3
123.00862	0.5
143.94859	0.4
155.10863	0.4
158.50879	0.4
165.12875	0.4
167.06207	0.4
167.10701	0.7
167.14455	1.8
181.12389	0.3
183.13908	15.1
184.14203	0.4
193.12349	4.2
211.13396	100.0
212.13730	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	211.134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.6
59.01385	12.5
61.98806	0.6
69.30474	3.0
69.30908	3.0
71.01386	1.6
71.93790	0.7
73.50331	0.6
81.03438	1.1
83.05030	4.9
95.01379	1.5
98.20731	1.0
100.98278	0.6
119.05793	0.6
121.10233	0.7
135.11789	0.9
149.13356	2.5
163.11305	2.5
165.12898	0.8
167.14441	1.4
175.11203	0.9
181.12354	23.1
182.12694	1.2
183.13905	1.8
191.10741	0.7
192.23918	0.6
192.97810	0.8
193.12338	23.2
194.12639	0.8
196.03766	0.7
211.07753	1.9
211.13396	100.0
212.13805	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	209.1184
Annotation	Pulchellon
Peak:m/z	Relative Intensity
50.56747	4.0
52.34911	3.1
56.23682	3.5
56.74310	3.8
57.03439	6.4
59.01384	92.5
66.85755	3.3
69.03452	4.5
69.52275	13.4
69.52705	14.9
71.01381	4.6
82.37043	3.9
83.05051	4.7
93.03482	4.3
93.07108	6.1
108.19540	3.3
119.08678	33.9
121.02972	100.0
124.04054	5.7
135.11829	40.0
147.11836	51.6
148.12158	4.0
165.12839	9.9
179.10805	26.2
180.00246	4.5
181.12320	6.4
191.10777	20.6
209.04607	13.6
209.11858	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1184
Annotation	Pulchellon
Peak:m/z	Relative Intensity
53.04733	2.2
56.93761	2.2
57.03442	4.4
57.23830	2.4
59.01383	100.0
59.03113	2.3
59.33461	2.3
68.04953	2.1
69.01363	2.3
69.03461	12.7
69.54214	14.0
71.01379	3.7
93.07082	9.9
94.50505	2.7
97.61465	2.2
107.08682	4.1
111.08128	3.1
119.08665	38.9
121.02955	8.6
123.08095	2.5
135.11800	45.3
147.11801	51.6
148.12065	3.9
153.09216	2.7
163.11293	3.9
165.12756	13.0
173.09685	4.5
179.10770	39.8
180.09222	2.3
181.12299	9.9
187.18939	2.4
191.10774	32.4
209.11830	60.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1183
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
55.01881	2.4
57.03448	1.8
59.01382	3.0
59.54276	0.6
61.98834	18.2
62.63622	0.6
63.90459	0.6
65.00345	2.0
65.78268	0.7
66.01080	0.7
69.03452	1.1
71.01402	1.0
71.05001	1.0
71.60800	0.8
80.02673	0.8
81.03455	5.0
81.90595	0.7
83.01395	27.6
83.05052	3.6
84.02151	1.2
91.01892	1.5
92.99827	5.3
93.03453	3.3
94.02984	3.7
95.01406	1.1
95.05023	2.3
97.03017	0.7
97.06622	4.9
99.04537	0.8
105.47404	0.6
109.02997	0.8
109.06581	1.6
111.08115	0.7
120.02179	1.2
121.02967	100.0
122.03297	2.1
123.04524	0.9
123.08192	2.8
124.04075	8.1
125.09734	22.8
126.10052	0.6
135.08179	2.4
136.01668	1.2
136.98827	1.8
137.02431	1.5
137.06079	0.9
147.11795	1.3
161.02530	0.9
161.09766	0.8
163.11285	10.4
164.94101	1.0
164.98309	4.4
165.01929	1.4
165.05542	1.2
165.12801	3.5
179.03529	1.2
181.12358	1.7
191.10803	8.4
194.05809	1.2
208.93346	0.8
208.97360	0.9
209.00934	1.8
209.04559	11.8
209.11841	97.0
209.94899	6.1
210.12196	4.9
211.26781	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0457
Annotation	Macrophyllide
Peak:m/z	Relative Intensity
58.48483	0.5
59.03122	0.5
62.33090	0.5
69.51154	2.5
69.51572	1.8
72.99312	37.0
76.66830	0.5
91.05557	1.9
98.19894	1.3
101.03969	1.8
103.05576	1.5
106.04473	0.6
117.03448	1.0
119.05033	12.7
121.02947	1.5
129.05090	0.6
135.04530	7.4
147.04527	40.5
148.04843	1.1
155.11884	0.5
158.15091	0.5
163.04024	5.1
176.17854	0.5
191.03511	100.0
192.03819	4.6
207.39085	0.5
209.04561	37.0
210.04935	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61097	0.7
54.67777	0.7
68.94476	0.7
69.44222	0.7
70.92136	0.7
70.92465	1.6
71.86649	0.6
72.99312	35.2
96.63254	0.7
100.68208	0.7
101.03970	1.8
103.05526	2.7
117.03427	0.9
118.93031	0.7
119.05026	10.9
121.02939	2.3
135.04529	10.1
147.04529	36.5
148.04852	1.2
148.76404	0.7
163.04030	5.4
191.03503	100.0
192.03867	4.7
200.66528	0.7
209.04556	36.4
210.04904	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1184
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
50.59742	1.6
51.21799	1.2
57.03452	4.1
59.01386	14.7
61.98839	10.2
69.03462	25.7
71.05021	2.7
75.43295	1.3
83.05045	3.7
89.44508	1.3
91.01912	2.1
93.03449	5.0
95.05042	3.5
97.06604	2.4
98.20640	2.8
107.05058	1.5
108.05837	2.0
109.06609	2.5
111.08150	4.8
119.08723	1.8
121.02965	100.0
122.03316	2.0
124.04043	4.5
135.08141	2.3
135.11818	2.1
136.98807	1.8
137.02472	4.3
147.11836	1.8
153.09177	6.8
163.11301	5.0
165.09200	5.5
165.12845	22.7
173.09685	1.5
181.12329	25.7
191.10794	28.1
194.05878	1.7
209.00940	2.2
209.04581	12.3
209.06335	2.0
209.11838	89.5
209.94873	3.2
210.12158	2.7
223.30553	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11674	1.4
57.03456	1.9
59.01387	35.1
61.98818	2.2
67.01897	1.8
69.03462	79.6
69.35437	7.0
69.35839	4.1
70.03783	2.1
71.01398	3.0
74.29135	1.2
77.40932	1.3
80.02689	2.4
81.03454	2.1
83.05039	6.3
85.02940	1.5
87.36740	1.4
91.01921	2.2
91.05544	1.9
91.12838	1.3
91.66296	1.5
93.03479	5.9
95.05037	21.9
104.01974	1.4
106.04269	4.9
107.05042	4.7
107.08673	17.7
108.05826	5.8
109.06588	17.8
110.06947	1.5
110.87991	1.4
113.83604	1.3
119.05067	4.2
119.08669	1.6
121.02953	1.7
121.06635	11.5
123.04591	1.5
133.06573	2.7
134.07381	7.0
135.04530	10.8
135.08173	8.2
145.10233	28.2
145.11388	1.8
146.10620	1.7
147.08232	2.0
149.05997	1.5
151.03929	1.8
161.09731	4.3
163.00409	2.2
163.03981	3.5
163.07658	4.0
163.11298	100.0
164.04814	1.5
164.11635	4.4
177.01944	6.1
179.10728	4.8
189.09251	4.3
192.00670	3.7
192.04305	9.2
206.99304	1.6
207.03099	2.0
207.06693	3.1
207.10269	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05659	1.0
59.01385	5.8
61.98822	3.3
65.00324	2.7
70.22005	3.0
70.22423	1.7
83.01415	1.9
89.92582	2.2
91.01901	1.1
92.99828	2.7
93.03471	3.4
95.01379	1.3
110.96879	1.0
121.02962	52.7
135.04523	1.5
136.04939	1.5
137.02463	1.4
164.12067	100.0
164.62215	20.3
164.94142	2.0
165.11034	45.5
165.12462	2.5
165.61259	8.7
166.10031	4.9
186.11562	31.6
186.61777	4.9
187.10522	9.5
187.60623	1.3
191.10815	1.6
193.04723	1.8
207.98776	1.2
208.11066	1.8
209.00847	2.1
209.04536	5.2
209.11871	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	205.1598
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
52.38137	0.1
55.85127	0.1
59.01371	0.2
61.98837	0.1
63.76392	0.1
71.01389	0.2
71.51479	0.1
72.21812	0.1
72.99303	0.1
75.00859	0.1
75.44987	0.1
76.44201	0.1
87.00892	0.1
87.92543	0.2
99.92580	0.1
115.00365	0.2
117.03470	0.2
123.49633	0.1
137.90027	0.1
139.85262	0.1
161.02432	0.2
162.89328	0.5
189.12856	1.6
190.13173	0.2
205.15976	100.0
206.16318	5.7
229.23241	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	206.0824
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
58.02979	34.7
60.67578	0.5
65.40327	0.5
69.90411	3.3
70.02981	12.4
71.87607	0.6
72.00920	6.3
91.05538	10.5
95.18645	0.6
95.87865	0.6
103.41506	0.6
122.22948	0.5
135.04530	13.9
147.04529	35.6
148.04869	1.7
149.06100	1.3
151.04008	0.9
162.09256	0.9
163.03990	2.1
164.07172	100.0
165.07535	4.6
174.03238	1.7
177.05487	0.7
192.04315	3.5
206.08226	34.4
207.06610	3.1
207.08446	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.9745
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.2
61.98835	100.0
62.98531	0.2
70.07094	0.3
70.07481	0.3
70.57252	0.1
72.61176	0.1
80.91711	0.1
86.32111	0.1
104.19167	0.1
118.46986	0.1
126.89487	0.1
138.28677	0.1
148.01723	0.1
149.02461	0.1
152.41505	0.1
162.98471	1.2
163.07623	0.1
164.96419	0.4
177.01924	0.6
192.00693	0.5
192.04280	0.7
206.97450	7.4
207.02916	0.2
207.06647	0.2
207.97588	0.4
216.12000	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	207.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01094	2.9
59.01384	46.2
61.98827	5.7
69.03462	80.7
69.33006	18.9
71.01398	3.3
71.84455	1.8
72.99329	2.2
75.00867	3.4
81.03453	2.3
83.05027	6.1
85.02959	2.4
91.01916	3.4
91.05543	2.4
93.03467	7.5
95.05032	23.4
95.81280	2.1
98.19918	4.4
99.22939	1.9
106.04224	4.3
107.05032	5.0
107.08669	16.6
108.05807	4.6
109.06576	17.0
110.03780	2.2
117.07121	3.9
119.01340	1.7
119.05026	5.8
121.02966	3.5
121.06606	13.0
123.04559	3.0
124.66705	2.0
133.06563	3.2
134.07419	9.7
135.00893	1.8
135.04544	32.7
135.08159	9.4
136.01677	2.3
137.09703	2.8
143.08601	2.8
145.10248	24.4
147.08112	4.0
149.02467	4.6
158.82210	1.9
161.02406	2.3
161.09726	5.2
163.00420	2.3
163.04066	9.0
163.07637	4.6
163.11296	100.0
164.04845	2.4
164.11615	3.3
164.89569	2.8
174.03207	3.5
177.01938	20.3
178.99954	2.2
179.03558	2.6
179.10760	5.2
189.09187	5.2
191.03592	1.9
192.00635	14.9
192.02632	3.0
192.04294	28.2
207.02925	10.1
207.06616	12.7
207.10291	38.3
207.13811	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	205.087
Annotation	3-Dimethylallyl-4-hydroxybenzoate
Peak:m/z	Relative Intensity
58.18650	0.2
59.01391	0.6
59.08622	0.3
61.89176	0.3
67.40925	0.2
69.64392	1.8
71.01402	0.8
72.99309	0.3
74.32997	0.3
87.00921	0.4
97.06588	0.6
99.00922	0.3
108.02173	5.5
109.03024	0.4
110.56123	0.2
115.00428	0.6
121.02974	1.0
122.03757	8.6
124.01691	0.8
131.05051	0.3
135.04547	0.5
137.02455	0.7
147.04541	11.0
148.05295	1.6
149.06142	1.5
153.60941	0.3
154.02747	1.1
159.04523	0.5
161.02458	0.6
161.06097	1.1
162.06828	0.3
162.89311	0.3
172.05318	0.3
175.04028	22.2
176.04805	100.0
177.05153	3.7
177.09229	3.3
187.07674	1.2
205.08717	31.4
205.15971	2.0
205.52933	0.3
206.09048	1.6
206.16200	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0871
Annotation	Vibralactone C
Peak:m/z	Relative Intensity
53.83586	0.2
59.01381	0.7
69.03461	0.2
71.01389	0.6
71.61328	0.2
75.00908	0.2
83.05023	0.2
87.00869	0.2
87.04501	0.3
93.03495	0.3
97.06591	0.2
99.00873	0.2
106.00603	0.2
108.02179	4.2
109.02959	0.3
114.79687	0.2
115.00363	0.5
117.03514	0.3
121.02955	0.9
122.03748	36.4
123.00906	1.4
123.04105	0.8
124.01674	4.6
133.02966	1.6
134.03748	2.0
135.04530	0.4
136.01669	14.1
137.02364	0.4
146.03676	0.2
147.04561	0.6
148.01692	0.3
148.05313	13.6
149.05756	0.6
150.03217	1.6
153.01985	0.6
154.02643	0.2
158.03709	0.2
159.04561	0.2
159.08174	0.4
161.02452	0.2
161.06091	0.6
161.09691	0.4
172.05293	0.3
176.04803	0.6
177.09213	100.0
178.09541	4.5
187.07684	0.5
205.08698	24.2
205.15942	1.1
206.09042	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	8.8
61.98835	3.0
63.99736	0.8
71.01358	1.4
71.32196	1.6
72.99338	1.4
73.02943	0.9
83.05025	2.4
85.02952	1.1
91.05532	9.1
94.99287	0.9
99.54404	0.9
101.06052	3.9
103.92052	8.8
104.92787	0.8
104.97742	8.1
111.04517	1.0
113.02509	1.1
117.03459	7.6
119.05040	3.7
130.94360	3.8
131.05002	1.7
135.04530	2.9
140.98404	0.7
141.09216	1.0
146.03760	1.5
147.04524	2.1
148.95428	2.5
159.04524	2.2
160.89294	5.9
161.02451	0.9
161.89436	2.1
163.71619	0.8
175.04010	2.5
175.11290	1.5
202.94240	5.5
202.99922	0.9
203.03508	3.7
203.10786	100.0
204.11107	5.6
210.11870	0.8
215.33083	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.9998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65987	0.1
59.01382	5.2
60.01721	2.4
61.01811	0.7
61.98835	100.0
71.09293	0.2
90.05482	0.1
160.03793	0.2
204.00018	0.6
204.02744	0.7
205.16055	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	9.8
57.03447	7.8
59.01380	71.6
61.98839	22.0
62.27018	3.5
68.99829	8.8
71.01389	89.3
72.99314	41.5
73.02947	15.4
75.00883	33.8
83.01385	18.5
85.02962	7.1
87.00879	36.0
89.02451	11.4
96.99316	4.5
99.00896	50.4
101.02441	8.9
103.00363	5.7
111.00895	21.0
112.98820	100.0
115.00383	71.8
117.01965	8.7
124.98797	14.3
127.00394	13.4
129.01944	16.7
133.02960	3.9
142.99904	20.3
145.01419	22.9
147.80481	3.3
154.99886	8.4
173.00865	8.9
175.02444	7.5
186.18236	3.8
197.59584	3.4
205.03517	6.4
205.16006	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	202.0512
Annotation	Indolepyruvate
Peak:m/z	Relative Intensity
59.01417	0.5
63.99617	0.2
67.12848	0.2
71.56495	0.4
103.19044	0.2
115.05542	9.1
116.05079	4.6
116.05822	0.2
117.03493	1.0
119.05062	0.2
128.05074	1.6
129.05824	0.6
130.06636	11.6
131.03775	1.6
132.04602	0.5
134.10129	0.2
144.04547	4.6
145.06602	2.2
146.04944	0.3
146.06114	6.9
146.07184	0.5
156.04597	0.4
157.05334	1.6
157.06522	0.5
158.06128	100.0
159.04535	0.6
159.05151	0.3
159.06476	4.3
161.04913	0.4
172.04068	0.4
174.05615	18.0
175.05945	0.7
202.05087	12.4
203.03635	0.3
203.05502	0.6
203.07140	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0927
Annotation	Phellodendric acid A
Peak:m/z	Relative Intensity
54.06540	0.5
57.03461	0.6
59.01384	3.4
64.24563	0.5
69.03436	0.6
69.60442	3.2
69.60846	0.7
73.02950	5.2
85.02943	0.6
87.00876	0.9
89.00690	0.5
95.05070	1.0
97.06596	19.4
98.06876	0.7
110.78310	0.5
111.04507	0.6
113.09741	2.1
123.08178	2.7
136.29890	0.5
139.06595	0.9
139.07666	18.8
141.09230	57.3
142.09535	1.5
157.08711	42.8
158.09088	1.5
159.04483	0.8
159.08093	0.8
159.10255	1.0
175.03973	0.5
185.08194	6.0
203.09259	100.0
204.09578	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	203.1079
Annotation	3-PRENYL-4-HYDROXYACETOPHENONE
Peak:m/z	Relative Intensity
51.41575	0.3
57.03438	0.5
59.01387	1.9
60.03639	0.3
61.98839	0.7
81.03455	0.9
85.02955	0.5
91.05535	6.5
101.03977	0.8
101.06094	6.8
103.92036	2.0
104.97758	1.0
117.03477	21.8
119.05035	2.8
129.46329	0.3
130.94382	0.8
135.04500	1.3
146.03755	1.1
147.04547	0.7
148.95424	0.8
159.04581	0.7
160.89284	0.9
175.04021	0.7
175.11284	3.4
185.09781	0.6
202.94205	1.0
203.10789	100.0
204.11118	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	201.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01712	1.0
66.22598	0.3
70.89249	0.6
71.01369	0.5
72.99320	1.2
74.99381	0.7
95.02725	0.3
100.04071	0.4
101.00957	0.9
107.95452	0.3
114.98890	1.6
115.02583	0.3
117.00455	15.7
117.54848	0.3
118.00563	0.9
124.98861	0.3
144.99931	0.6
156.99939	1.1
157.03584	4.8
158.03793	0.4
159.01515	3.3
160.01602	0.4
169.72037	0.3
172.99445	0.8
175.02769	0.5
200.98801	0.5
201.02550	12.5
201.05661	0.6
202.02751	0.7
202.07132	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01716	0.9
71.15800	0.7
114.31310	0.3
114.98913	0.4
117.00467	2.1
155.13518	0.3
157.03566	5.2
159.01495	2.9
160.42569	0.4
174.13458	0.3
201.02550	11.9
202.02701	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01423	0.7
70.63488	0.2
71.01414	0.2
71.61715	0.3
73.03007	0.3
87.86760	0.3
88.29073	0.2
91.71269	0.3
111.08210	0.6
115.05542	7.0
116.05074	4.4
116.05827	0.4
126.11835	0.2
128.05067	1.6
129.05836	0.6
130.04321	0.4
130.06636	11.8
131.03796	1.7
131.05055	0.5
131.07021	0.5
132.04576	0.7
141.09222	1.2
143.05070	0.3
143.07138	1.0
144.04559	4.0
146.06131	7.1
156.04605	0.4
157.05373	1.6
157.08739	0.3
158.06120	100.0
159.04507	0.5
159.06465	3.8
161.04753	0.6
172.03958	0.3
174.05605	16.7
175.05945	0.8
185.08148	0.9
187.06366	0.3
202.05063	11.3
202.08524	0.5
203.03433	1.2
203.05342	0.5
203.07147	0.6
203.09172	0.7
215.42522	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1185
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
58.96432	0.4
59.01376	0.6
67.37779	0.4
69.03452	2.3
69.47467	2.7
72.32727	0.3
83.05019	1.0
95.01425	0.3
97.06644	0.4
108.99187	0.4
109.02988	0.5
123.00871	0.8
123.08125	0.4
126.90524	1.0
141.09203	1.1
151.11272	0.9
153.09195	2.0
153.12859	4.4
155.08482	0.4
166.99866	1.0
169.12346	17.7
170.12659	0.6
179.10776	2.2
182.02231	1.4
197.11835	100.0
198.12170	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	197.1184
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
51.57904	0.7
55.76947	0.8
57.11807	0.7
59.01370	2.3
61.95184	0.7
65.00299	0.9
69.03458	1.1
69.51714	1.9
69.52141	3.7
71.05038	1.4
71.68995	0.7
72.20845	0.7
83.05012	0.9
86.82416	0.8
95.01371	1.5
97.06595	14.3
99.08170	4.5
102.84724	0.8
109.02973	1.7
109.06602	1.0
111.00838	0.9
111.08176	1.8
112.04118	0.8
121.02952	3.0
122.03722	1.9
123.00904	5.2
123.04512	1.3
125.02421	1.9
125.09753	1.5
126.03285	1.1
126.90496	3.0
135.08093	0.8
136.61864	0.9
137.02402	0.8
137.09738	2.0
138.03183	1.1
151.00369	1.0
151.11301	1.8
153.01947	2.5
153.05571	2.3
153.09233	2.3
153.12859	100.0
154.13177	2.5
166.99846	4.7
169.12357	1.1
178.99812	1.8
179.10786	22.2
182.02205	9.7
182.07339	0.8
196.89645	1.0
197.00787	1.3
197.04489	2.9
197.06139	2.6
197.08035	0.9
197.09933	1.5
197.11826	15.1
197.15443	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	201.0256
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66837	0.3
59.01383	100.0
59.17244	0.3
60.01723	1.1
66.16301	0.3
70.79023	0.8
71.70072	0.4
90.55075	0.3
98.20023	0.4
115.02560	0.3
115.76722	0.3
126.53705	0.3
130.17851	0.3
137.07982	0.3
157.03586	5.1
158.03838	0.4
159.01472	2.1
165.83398	0.3
201.02557	12.4
202.02695	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1183
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
57.03448	0.8
57.36195	0.3
59.01370	0.9
61.98833	0.7
62.11494	0.4
65.00323	0.7
69.03462	1.1
69.29599	1.3
69.30035	2.5
71.05009	1.1
78.95914	0.6
95.01404	0.8
97.06598	14.2
99.08152	3.4
108.02148	0.6
109.02955	1.6
109.06621	0.5
116.92859	1.2
117.03592	0.4
121.02979	1.6
122.03765	2.0
123.00909	2.8
125.02424	0.7
125.09756	0.6
126.03214	1.0
126.90524	2.6
135.04556	0.5
135.11749	0.4
137.02461	0.7
137.09756	1.8
138.03261	0.6
143.24747	0.4
151.11293	1.1
153.01996	0.5
153.05597	0.6
153.12859	100.0
154.13214	4.0
160.84227	0.4
160.96811	0.4
162.15842	0.4
162.83896	0.8
166.99919	2.0
169.12390	0.5
178.99915	0.6
179.10776	20.0
180.11131	0.8
182.02235	4.2
196.89456	1.3
197.02219	0.8
197.04544	1.5
197.06248	0.5
197.08237	1.1
197.09915	0.9
197.11807	9.8
197.13531	0.8
197.15472	1.1
197.80792	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0608
Annotation	3,4-Dihydroxyfluorene
Peak:m/z	Relative Intensity
54.50505	1.9
55.61560	2.0
59.01388	3.9
60.82855	1.9
61.98838	9.0
65.41679	1.7
69.03458	2.7
71.60831	2.5
72.99302	3.0
78.95912	3.2
95.01388	5.6
97.02949	2.8
103.80362	1.9
108.02177	2.2
108.99306	2.3
109.02968	7.6
111.04537	2.9
112.01651	2.4
116.92891	10.1
121.02972	8.5
123.00891	19.6
125.02480	5.6
126.90542	12.1
138.03203	3.6
144.10484	2.1
151.00375	2.3
151.47993	1.8
153.01939	5.7
153.05571	5.2
153.09279	3.7
153.12880	3.8
160.84093	2.6
162.83942	6.9
166.99928	9.9
169.06569	3.8
178.99826	5.5
182.02232	27.0
194.58502	2.1
196.89510	3.8
197.00687	2.5
197.02206	6.1
197.04597	6.1
197.06097	100.0
197.08072	7.4
197.10019	4.3
197.11784	17.4
197.15501	4.0
197.80815	4.4
198.06456	5.2
199.33809	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	195.1028
Annotation	(+)-Isololiolide
Peak:m/z	Relative Intensity
57.03450	5.5
59.01382	25.3
66.97897	1.6
67.01874	2.0
69.03461	100.0
69.35800	12.1
69.36209	4.2
70.03772	2.0
71.01408	2.5
73.45327	1.7
80.80112	1.6
83.05025	8.7
93.03448	7.4
93.58470	1.7
95.05032	8.0
97.06586	9.6
98.20641	4.1
107.08664	2.1
108.05824	5.7
109.06657	2.9
118.47897	1.8
121.06577	2.7
123.08266	3.0
125.06120	2.1
133.10245	5.6
149.09708	8.2
150.03246	4.1
151.11287	51.1
152.11646	1.9
159.08176	6.5
167.10760	15.2
177.09206	33.6
180.04277	2.7
194.99332	2.5
195.06587	2.6
195.08615	2.3
195.10265	65.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1391
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
59.01354	0.3
61.98819	0.8
83.01408	0.3
90.82437	0.3
91.61783	0.3
95.05067	0.3
103.92058	0.4
109.06594	3.9
111.08172	3.7
114.37509	0.3
125.09700	0.7
135.11809	0.5
138.06908	0.9
139.07623	0.4
150.03178	0.4
151.11317	0.7
160.84248	1.4
163.05081	0.3
165.05603	0.3
167.14421	6.3
179.10794	4.9
180.04321	0.5
180.11531	0.3
189.98331	0.3
194.99409	0.5
195.13904	100.0
195.81067	0.4
196.14249	4.2
197.22810	0.3
210.65027	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0092
Annotation	3,4-Dihydroxyphthalate
Peak:m/z	Relative Intensity
56.73601	0.3
59.01372	0.6
61.98827	0.7
65.00330	2.1
66.64700	0.3
71.01381	0.3
71.52305	0.7
72.99307	7.3
81.03481	0.4
91.01900	8.9
95.01366	0.6
95.05045	0.5
96.96027	0.5
103.71142	0.3
107.05028	0.7
109.02959	100.0
110.03288	2.2
111.00930	0.3
116.21404	0.3
116.76282	0.3
117.64449	0.3
121.02182	0.4
121.02972	2.5
123.00907	1.4
123.04542	4.7
124.01675	0.6
124.04070	0.3
125.02412	0.4
134.03766	0.5
135.04536	9.1
139.63850	0.3
151.04054	0.5
153.01942	64.1
154.02321	2.2
154.05096	1.0
166.99867	0.7
179.03514	3.3
182.02229	1.3
197.00919	7.0
197.04570	2.1
197.08063	0.3
197.11743	0.8
198.04121	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0718
Annotation	Methyl beta-D-galactoside
Peak:m/z	Relative Intensity
55.01885	9.8
56.74738	0.9
57.03455	9.4
58.00594	3.9
59.01384	32.5
61.81244	0.9
68.99828	2.0
69.03100	1.7
69.03459	23.7
70.42582	3.7
71.01389	45.9
71.05019	2.6
72.00514	1.0
72.01736	0.9
72.99319	4.4
73.02950	30.6
79.01904	3.4
79.76936	0.9
81.03466	23.2
83.00899	1.9
83.01395	32.9
84.02173	3.0
85.02957	80.4
86.00122	2.2
86.03255	1.2
87.00883	31.8
88.01227	1.2
89.02464	1.6
94.95695	1.7
95.01398	8.8
97.02959	36.2
99.00891	30.2
99.04522	6.8
101.01774	1.6
101.02446	24.7
103.00391	1.0
107.01384	4.1
109.02964	11.2
111.00882	2.3
112.01666	1.2
113.02438	8.5
115.04014	1.9
123.00893	3.8
125.02457	39.3
126.02789	1.1
127.04048	1.2
128.78499	1.0
131.03485	4.2
133.27184	0.9
140.01149	2.3
141.01965	7.1
142.02725	2.1
143.03474	3.0
147.04517	1.2
149.06021	2.1
150.94672	7.0
155.03529	2.5
161.04565	100.0
162.04936	2.9
163.23195	0.9
175.06110	5.2
193.05342	1.5
193.07179	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0923
Annotation	2,6-Dimethyldeca-2,4,6,8-tetraenedial
Peak:m/z	Relative Intensity
51.52141	0.3
56.61829	0.3
69.57277	2.4
69.57677	0.7
71.05023	0.3
87.04517	7.3
91.05534	10.6
95.14212	0.3
101.03966	1.0
102.70306	0.3
117.03471	26.1
118.03809	0.9
119.05041	2.2
135.04532	0.9
146.03741	1.1
161.09723	5.8
171.08177	0.8
173.29327	0.4
185.03464	0.3
189.09222	100.0
190.09547	4.5
205.73491	0.4
209.82542	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.035
Annotation	Pisonin F
Peak:m/z	Relative Intensity
59.01376	0.5
69.53011	2.1
77.03956	0.4
85.02951	1.3
87.00896	0.9
93.03469	0.5
98.19872	0.6
111.00893	2.5
119.05045	1.9
121.02961	100.0
122.03279	2.7
129.03485	0.4
135.04506	2.4
147.04526	7.8
163.04013	2.9
173.02362	0.7
176.01186	0.4
191.01859	0.4
191.03514	9.3
191.05579	1.7
192.03789	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0506
Annotation	6-Hydroxymellein
Peak:m/z	Relative Intensity
51.66977	0.2
52.39145	0.2
61.46338	0.2
62.42016	0.2
65.03973	0.2
65.66024	0.1
69.94275	0.5
69.94669	0.3
71.01384	0.9
81.03455	0.4
81.22083	0.2
91.01904	0.2
92.79119	0.2
93.03497	0.2
108.02190	2.4
109.02958	100.0
110.03307	3.0
119.05025	1.8
121.02942	0.8
121.06606	0.4
122.03744	0.5
123.04510	0.9
129.03481	0.9
130.04236	0.5
131.05040	0.4
134.03748	0.2
135.04536	3.0
136.04871	0.8
137.02440	0.3
141.15672	0.2
146.03749	0.5
147.04544	4.4
148.05333	1.4
149.06090	12.4
150.06406	0.5
151.04041	0.9
157.02925	0.2
158.03761	0.4
173.02443	0.2
174.03209	1.1
175.04005	2.2
193.01375	0.3
193.05080	3.9
194.05423	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05961	0.5
59.01382	81.0
61.98830	4.9
65.22008	0.5
69.24940	5.1
71.01381	0.5
71.57262	0.4
83.05058	0.6
90.97155	0.8
97.06595	0.9
99.00894	0.6
102.98820	0.8
114.98885	1.1
115.02525	4.1
117.00452	8.3
118.00549	0.8
123.08172	0.7
125.06105	0.7
125.09731	7.0
132.98254	1.0
134.70615	0.5
141.86841	5.1
142.89392	2.2
143.02022	1.5
143.05013	0.6
144.99931	1.7
146.02512	0.5
159.01503	100.0
159.86032	0.8
159.87845	3.1
160.01613	7.3
168.88890	0.9
174.16696	0.6
186.89980	0.8
186.95636	0.7
187.00995	10.4
187.03979	1.7
187.07721	0.6
187.09749	3.0
187.13388	1.2
191.53027	0.5
196.27211	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50765	1.4
59.01381	100.0
69.03464	1.6
69.27184	16.4
72.50555	1.4
83.05050	2.0
87.00887	4.9
107.01424	1.6
107.08679	13.6
135.04491	3.6
135.11787	13.0
149.05011	2.0
151.00301	2.5
161.09740	4.7
163.94666	1.3
177.09157	2.8
178.99959	1.9
179.05737	2.6
179.10782	25.1
180.11090	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1235
Annotation	1-Methoxy-3-myodesertene
Peak:m/z	Relative Intensity
53.87489	1.0
59.01382	14.8
60.72809	0.8
61.98839	6.1
65.00319	6.0
66.64193	0.9
69.35091	2.8
69.35516	5.3
70.58215	0.8
71.01379	9.0
72.99316	1.1
73.02932	1.5
74.61724	0.8
80.06310	0.8
81.03452	1.7
83.01392	1.2
83.05029	3.1
85.02937	1.4
85.60332	0.9
89.02454	2.8
93.03465	23.4
94.03010	1.0
95.01363	1.4
96.95999	1.5
97.02953	1.5
101.02447	4.8
108.02134	1.1
109.02939	3.7
109.06591	1.2
111.00825	1.2
119.05038	1.4
121.02984	2.1
122.03762	1.3
123.00904	2.8
123.04500	0.9
125.02367	1.1
135.04547	1.3
136.98807	1.9
137.02472	7.4
137.06084	2.3
137.09715	1.2
144.96016	0.9
151.00377	10.9
153.01944	1.8
163.04002	2.4
163.11308	10.0
166.02725	18.1
177.11055	1.0
180.86020	1.0
181.01443	7.0
181.05086	8.3
181.07294	5.1
181.08818	3.6
181.12349	100.0
182.12636	4.3
187.90039	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01685	1.1
62.37998	1.1
63.57564	1.1
69.03455	1.7
70.61714	1.6
70.62020	1.6
71.01422	2.5
87.00896	5.9
90.96940	1.2
99.00911	1.5
107.08670	12.7
116.93019	1.0
117.01956	2.1
121.84238	1.1
125.02464	1.5
135.04524	3.6
135.11803	10.3
150.34573	1.0
151.00366	2.8
157.51489	1.3
159.08165	1.4
161.04587	3.3
161.09741	3.4
164.01263	1.8
177.09218	3.0
178.99895	1.6
179.03505	2.3
179.05624	2.9
179.10777	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	178.9508
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94165	0.2
59.01366	0.3
62.17032	0.2
69.97955	0.7
80.95839	0.1
95.95203	0.2
98.20583	0.2
100.79272	0.1
119.93667	0.8
134.96098	24.0
135.96165	1.5
136.94017	100.0
137.94090	6.0
151.92725	13.8
152.92854	0.7
154.95128	0.3
178.95068	53.0
179.95152	3.3
196.96144	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0558
Annotation	(4S)-4,8-Dihydroxy-alpha-tetralone
Peak:m/z	Relative Intensity
50.47578	0.8
55.01871	1.1
62.48475	0.8
62.85149	0.9
64.34096	0.7
71.01388	1.4
93.03463	100.0
94.03812	3.8
98.19861	1.5
102.52287	0.8
102.94711	0.7
103.05525	1.3
104.64391	0.8
106.04239	1.8
107.05054	4.6
119.05035	40.9
120.05375	2.1
121.02998	4.7
121.06607	4.2
130.04254	9.5
131.05038	36.2
132.05893	1.7
133.02966	1.8
133.06612	20.4
135.04512	2.2
145.02930	1.3
147.04533	68.9
148.04858	1.9
149.06088	15.9
158.03726	8.6
159.04536	25.2
160.04843	0.9
175.03984	1.4
177.02092	4.5
177.05574	49.8
178.05907	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	173.0456
Annotation	Shikimic acid
Peak:m/z	Relative Intensity
54.96614	0.3
55.01887	2.9
56.68123	0.4
56.92485	0.3
57.03446	1.7
58.00602	2.6
59.01378	1.7
65.03965	3.1
67.01885	0.5
69.03458	3.7
69.53397	2.4
71.01384	8.0
71.05029	1.5
72.99317	1.6
73.02953	48.0
74.03274	0.5
77.14738	0.4
81.03465	8.2
83.01401	0.9
83.05031	19.8
85.02438	0.5
85.02957	8.8
93.03464	100.0
94.03799	2.3
96.95998	0.4
99.00889	11.6
99.04523	14.9
100.01214	0.4
101.02468	0.8
109.02962	1.7
111.00914	1.0
111.04528	29.5
111.13254	0.4
112.04855	1.1
112.98811	2.4
113.02518	0.4
129.01955	5.1
129.05600	0.8
137.02452	22.6
138.02843	0.6
141.27936	0.4
142.85370	0.4
143.03496	4.0
155.03513	7.9
172.83139	1.5
173.04561	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	173.0456
Annotation	2-Methyl-3-oxoadipate
Peak:m/z	Relative Intensity
52.78101	1.0
53.00303	1.7
55.01876	7.6
57.03448	3.9
58.00592	2.3
59.01385	16.2
63.95502	0.9
65.03970	2.3
67.01874	2.2
68.99834	1.9
69.03455	2.8
69.67332	5.3
71.01387	100.0
71.04999	1.3
72.01730	2.1
72.99310	16.9
73.02951	53.9
76.85982	1.1
80.99820	1.8
81.03448	7.1
83.01388	10.0
83.05032	26.0
85.02950	10.5
85.06569	1.9
87.00875	5.5
93.03462	99.0
94.03815	2.9
96.99331	3.1
99.00885	43.8
99.04530	17.0
100.01209	1.1
101.02455	2.6
109.02969	2.4
111.00901	4.0
111.04529	48.3
112.98814	39.5
115.00368	3.5
124.98820	23.5
129.01936	5.0
129.05598	9.1
137.02458	26.7
140.98335	2.1
142.24640	1.2
142.99866	69.4
143.03496	3.8
144.00224	1.6
155.03508	26.0
156.03841	1.2
173.00960	10.1
173.02351	2.0
173.04547	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	166.0511
Annotation	Orthoform
Peak:m/z	Relative Intensity
60.76427	0.2
61.72259	0.2
66.03500	0.3
67.04612	0.2
69.49930	1.5
89.89849	0.2
93.03458	1.3
95.01402	0.4
108.02203	0.9
108.04570	0.3
109.02993	0.3
111.04558	0.2
118.71782	0.2
119.73999	0.2
121.02965	11.2
122.03285	1.6
123.00880	0.6
123.04528	1.1
124.01683	0.4
124.04031	0.3
136.05305	11.3
137.02466	0.4
137.05672	0.2
138.03282	1.0
138.05612	0.3
139.04012	2.4
151.02757	22.6
152.01219	1.7
152.03116	0.9
166.05104	100.0
167.03506	5.7
167.05434	4.1
167.10654	0.2
183.01726	11.0
184.02065	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0511
Annotation	4-Hydroxy-L-phenylglycine
Peak:m/z	Relative Intensity
50.70117	0.2
53.75677	0.2
55.45260	0.3
56.85311	0.2
65.00329	0.2
66.03493	0.6
67.01895	0.2
69.03433	0.2
88.31451	0.2
90.03479	0.2
92.05075	0.6
93.03465	0.9
94.02991	0.2
95.01397	0.7
108.02184	0.9
108.04563	0.4
109.02986	0.5
120.04546	0.4
120.05343	0.2
121.02975	1.2
121.05347	2.2
122.02525	0.4
122.03354	0.8
122.06125	0.3
123.00885	1.0
123.04532	1.4
124.01665	0.6
125.02458	0.3
129.05632	0.2
135.04520	1.0
136.05307	25.5
137.02419	0.4
137.05635	0.9
138.03160	0.9
138.05606	0.3
139.04004	2.5
144.18417	0.3
151.00328	0.4
151.02733	1.5
152.01152	2.1
166.05104	100.0
167.03502	6.1
167.05440	3.9
171.54709	0.2
183.01735	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86778	0.3
58.02979	100.0
59.03318	1.0
61.98817	0.3
66.14095	0.3
69.03453	0.4
69.90390	0.6
69.90781	0.7
70.03001	0.5
79.23365	0.3
98.20582	0.4
119.36322	0.3
122.89430	2.1
125.02454	5.5
125.03301	0.4
125.99438	0.3
140.04382	0.3
151.00366	0.3
165.61079	0.3
168.03941	0.5
168.06580	0.3
168.13925	7.9
169.01476	1.8
169.14273	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0402
Annotation	2-Hydroxycinnamic acid
Peak:m/z	Relative Intensity
64.22801	0.2
70.49308	0.8
87.09219	0.2
91.05565	0.4
91.10929	0.2
93.03444	1.2
95.28928	0.2
101.03955	0.2
108.34834	0.2
108.73962	0.2
119.05035	100.0
120.05369	3.6
121.02909	0.2
134.03734	0.3
135.04593	0.4
162.89424	0.2
163.04022	7.9
164.04361	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0403
Annotation	2-Hydroxycinnamic acid
Peak:m/z	Relative Intensity
70.21145	0.7
70.21505	0.3
72.74550	0.2
93.03468	1.9
93.99207	0.2
110.26740	0.2
119.05033	100.0
120.05366	4.0
123.31977	0.2
134.03712	0.2
135.04486	0.2
147.04478	0.2
163.04016	9.0
164.04347	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1122
Annotation	4-Isopentylphenol
Peak:m/z	Relative Intensity
54.15423	1.1
56.88101	1.1
61.98828	4.1
65.32661	1.1
71.61359	2.3
79.38017	1.1
91.01885	1.5
99.24944	1.1
116.92128	5.5
117.91919	1.6
119.05028	30.4
120.05407	1.7
147.08145	1.2
162.83928	8.7
163.11295	100.0
164.11580	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	164.0717
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
53.19575	0.5
54.23282	0.5
68.93545	0.6
69.82700	2.2
72.00916	39.2
77.04002	0.7
87.00882	1.1
91.05576	2.4
93.03480	1.7
96.99765	0.5
103.05546	2.0
105.01951	0.7
109.02972	0.8
118.06638	0.6
119.05049	2.6
120.05369	11.1
120.06205	0.8
121.02968	8.0
129.48116	0.5
135.04388	0.7
135.08679	0.5
137.02475	1.9
137.06091	0.7
146.06155	0.7
147.04533	100.0
148.04865	5.3
149.01038	0.5
149.52606	0.6
150.03232	0.8
164.04410	2.8
164.07169	44.4
164.89571	1.2
165.01909	1.7
165.04114	1.1
165.05554	2.2
165.07556	1.6
166.87910	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0405
Annotation	L-Ribonic acid
Peak:m/z	Relative Intensity
53.21504	0.9
57.03441	3.8
59.01382	17.0
68.42423	0.8
68.99789	0.9
71.01391	9.8
71.59190	1.3
72.99318	13.1
73.02959	2.7
75.00880	100.0
79.95743	2.7
80.96535	2.6
85.02953	2.7
87.00883	83.6
89.02449	5.4
93.03452	1.1
99.00883	8.6
101.02448	4.2
105.01947	62.0
106.02316	1.7
108.93754	2.3
111.00842	1.2
117.01957	2.9
119.03514	1.0
121.03005	4.5
129.01953	8.4
135.03056	1.9
135.46803	1.0
137.02443	1.7
147.03015	13.4
147.04362	1.5
164.83649	8.9
164.90018	2.3
164.98703	1.5
165.04054	75.3
166.01814	2.4
166.04395	1.0
176.24568	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0351
Annotation	3-Methyl-cis,cis-hexadienedioate
Peak:m/z	Relative Intensity
51.02486	1.2
55.01888	6.9
59.01369	2.0
60.49411	1.2
65.03962	3.0
67.01877	1.9
67.05537	2.5
68.02541	3.8
69.03459	2.4
69.52625	2.9
69.53027	6.2
71.01373	2.7
72.99322	1.2
75.02396	1.3
77.59589	1.2
81.03463	4.0
83.01387	7.0
83.05024	15.2
93.03458	100.0
94.03801	3.4
95.01418	1.7
96.96040	1.2
99.04509	3.1
109.29753	1.2
111.00843	2.1
111.04527	36.1
112.04814	1.4
114.05613	3.3
127.00365	1.6
137.02452	6.8
140.01172	3.1
154.99873	4.3
155.03563	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	161.0245
Annotation	3-HYDROXYCOUMARIN
Peak:m/z	Relative Intensity
59.01380	1.1
64.74457	0.3
69.27296	1.6
69.27718	1.3
70.87440	0.3
71.01376	1.7
73.02962	1.6
74.79003	0.3
77.03992	0.9
78.19965	0.3
83.01404	0.4
85.02950	2.0
87.00883	0.9
89.03974	1.1
95.05044	0.5
98.20715	0.6
99.00922	0.4
99.04569	0.4
101.02462	0.7
104.02702	0.8
105.03476	2.2
105.04067	0.3
115.01900	1.0
115.04011	0.4
123.04503	0.4
131.03502	0.4
132.02177	11.3
133.02963	100.0
134.03305	4.0
143.03470	0.6
160.89314	0.5
161.02451	59.9
161.89391	0.3
162.02776	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	161.0245
Annotation	3-HYDROXYCOUMARIN
Peak:m/z	Relative Intensity
69.33768	2.5
69.34093	0.6
77.03968	0.9
89.03983	0.9
95.05051	0.3
98.19909	0.6
104.02705	0.6
105.03466	2.6
115.01906	1.1
123.04559	0.5
132.02182	10.1
133.02963	100.0
134.03287	4.7
147.69662	0.3
160.01648	0.4
161.02451	70.2
162.02798	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	161.0245
Annotation	3-HYDROXYCOUMARIN
Peak:m/z	Relative Intensity
53.11777	0.2
55.01884	1.4
57.03452	2.8
58.00599	0.5
59.01384	8.5
63.15034	0.2
65.00275	0.2
69.03466	1.8
69.78384	0.6
69.78799	0.9
71.01389	10.7
72.99317	1.2
73.02948	7.7
75.00877	1.0
77.03978	1.7
81.03477	1.9
83.01394	4.6
84.02182	0.3
85.02958	13.7
87.00874	3.0
89.02444	2.2
89.03986	0.9
95.01393	0.7
95.05016	0.6
97.02969	3.1
99.00893	1.7
99.04527	0.8
101.02438	1.9
105.03467	3.0
113.02460	2.0
115.01910	0.7
115.04012	0.4
115.05555	1.4
117.03454	1.7
117.07114	0.5
121.02950	0.6
123.04536	7.0
125.02460	2.5
131.03522	3.5
131.05019	3.3
132.02179	5.2
133.02966	48.8
134.03310	2.0
143.03511	0.3
143.05042	0.4
160.01672	1.0
160.89316	1.2
161.02454	100.0
161.04582	9.6
161.06091	3.5
161.89415	0.6
162.02872	4.6
162.04878	0.3
166.51277	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.1
57.03453	1.0
58.00609	0.3
58.49321	0.1
59.01383	6.8
67.84757	0.2
69.03460	2.7
70.80624	0.3
70.80963	0.3
71.01387	8.2
71.05028	1.0
72.99310	0.8
73.02953	2.8
73.03342	0.2
77.03964	1.2
79.01902	0.2
81.03466	0.4
82.59498	0.2
83.01395	3.0
85.02952	7.2
86.03291	0.3
87.00880	9.9
88.01248	0.3
89.02468	0.5
89.03980	0.8
92.95998	0.5
95.01386	0.6
95.05070	0.4
96.78586	0.2
97.02950	3.6
99.00887	2.5
99.04536	1.1
101.02457	1.6
104.02675	1.0
105.03481	2.5
107.01431	0.2
112.98826	0.5
113.02441	0.6
115.00390	0.3
115.01884	1.5
115.04005	0.7
117.03554	0.3
117.05597	1.1
123.04553	0.2
123.12015	0.2
125.02454	2.5
131.03526	0.4
132.02187	11.1
133.02965	100.0
134.03304	4.2
134.97060	1.6
135.97171	0.3
143.03500	1.6
160.01683	0.3
160.84238	5.7
161.02454	60.0
161.04393	5.2
161.84235	2.4
162.02809	2.9
179.61148	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0608
Annotation	Isosafrole
Peak:m/z	Relative Intensity
55.01883	5.6
57.03450	5.7
58.00591	1.0
59.01384	23.2
69.03470	3.0
71.01392	24.1
71.60953	1.1
71.61282	1.0
72.99318	2.2
73.02954	18.2
74.54900	0.9
75.00861	2.5
81.03453	2.3
83.01386	6.2
84.02184	1.6
85.02958	28.2
85.03448	2.0
85.33975	1.0
87.00886	4.6
87.04539	1.1
89.02452	4.8
91.05555	10.3
93.03475	1.5
97.02966	3.6
98.76740	1.1
99.00909	2.0
101.02451	4.4
105.03510	1.6
113.02460	5.1
115.05544	62.9
116.05922	2.5
117.07120	21.6
117.07870	1.8
118.02944	1.2
118.07472	1.5
119.05054	1.9
119.09638	0.9
121.02981	2.1
125.02473	2.0
131.03604	9.9
131.05040	100.0
132.02240	5.5
132.05380	5.7
133.02971	50.8
133.06610	27.0
134.03348	1.8
134.07013	1.4
135.04517	1.8
143.05042	13.1
147.04578	3.1
149.06323	1.1
159.04530	1.5
160.89313	2.0
161.02484	33.3
161.04633	21.5
161.06122	85.3
161.89403	1.0
162.01878	1.3
162.03075	1.2
162.06453	4.3
162.78435	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0609
Annotation	m-CRESYL ACETATE
Peak:m/z	Relative Intensity
59.01384	3.2
71.01383	1.3
71.61238	0.5
71.61639	0.6
78.86140	0.4
85.04659	0.4
89.02454	2.8
93.03455	3.8
95.05027	0.7
97.83209	0.4
103.05542	0.9
108.02167	2.8
119.05027	0.8
121.02968	4.2
121.06605	1.1
121.48957	0.5
122.03775	5.1
123.04498	0.9
124.01686	1.0
129.03479	1.0
130.04266	1.2
130.77946	0.5
131.05064	2.8
134.03728	0.8
137.02435	1.5
139.03958	0.7
147.04532	6.5
148.05325	13.0
149.02527	3.1
149.06090	100.0
150.00237	0.9
150.06447	6.0
154.02779	1.1
162.84497	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.061
Annotation	p-Hydroxypropiophenone
Peak:m/z	Relative Intensity
56.78393	3.7
59.01381	7.2
63.30671	3.7
70.19429	15.1
71.01396	21.3
73.02940	9.9
77.03953	5.3
87.00896	9.5
89.02457	42.1
93.03465	37.8
94.99317	14.4
95.01395	7.7
95.05026	5.9
98.90224	3.6
104.97709	6.3
105.07101	25.6
107.05034	5.2
117.03018	4.2
119.05017	11.3
121.02967	67.1
121.06560	3.9
122.03357	3.3
130.04303	5.0
130.93224	3.6
131.03459	5.8
131.05032	9.6
134.03757	11.2
137.65804	3.3
145.48473	3.4
147.04543	6.3
148.05237	4.5
149.01015	6.1
149.02432	37.5
149.04613	13.6
149.06085	100.0
150.00163	14.8
165.24626	3.6
167.48027	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	151.0401
Annotation	4-Methyl-2,6-dihydroxy-benzaldehyde
Peak:m/z	Relative Intensity
62.20319	0.5
65.03945	0.9
67.01884	0.7
67.32177	0.8
68.99789	0.7
69.30650	1.2
69.31049	5.3
71.01396	0.7
77.03973	0.9
79.95737	0.6
81.03458	4.3
93.03463	8.2
94.03767	0.7
94.42469	0.7
95.01403	1.4
95.05029	4.4
105.03466	9.0
107.05030	6.3
108.02185	14.3
109.02952	2.7
113.01917	0.6
121.02962	6.6
122.03754	20.5
123.00939	1.4
123.04532	100.0
124.01653	1.5
124.04844	4.5
133.02960	2.9
134.03716	2.2
136.01668	13.7
137.02397	2.5
139.03998	1.3
149.02422	5.8
149.05167	0.7
150.03224	7.5
151.00415	1.7
151.04019	61.2
151.06587	5.5
152.03304	0.7
152.04362	2.4
154.02708	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0354
Annotation	4-Nitroanisole
Peak:m/z	Relative Intensity
50.70259	0.2
69.61792	1.5
100.34682	0.2
105.03446	0.3
108.02156	0.5
109.02969	5.3
110.00105	0.3
110.02427	0.2
121.02966	1.2
122.03748	42.5
123.04104	2.1
123.71510	0.2
137.99603	0.5
152.03549	100.0
153.01994	2.1
153.03888	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	152.0355
Annotation	4-Nitroanisole
Peak:m/z	Relative Intensity
50.39821	0.3
53.98743	0.2
66.03497	0.8
70.77098	0.6
81.03466	1.0
83.01411	0.4
84.88689	0.3
95.01413	0.3
97.02967	0.4
108.02183	2.7
108.04626	0.5
109.02956	26.0
109.06592	0.5
110.00116	1.4
121.02969	0.6
122.03746	42.3
123.04039	1.8
124.04852	1.2
125.02448	1.6
125.09823	0.3
135.04533	0.4
137.01993	0.5
137.99619	1.8
151.00385	0.7
152.03531	100.0
153.01956	11.0
153.03828	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	147.1182
Annotation	Finavarrene
Peak:m/z	Relative Intensity
59.01384	9.8
61.98837	12.0
69.29922	35.3
69.30318	7.4
71.01391	9.8
76.95041	3.5
91.05553	6.4
94.53877	3.4
99.00891	4.0
119.05030	32.9
129.03482	20.1
130.04282	6.2
143.37666	3.9
146.03740	4.4
147.04529	100.0
147.11795	39.4
148.04877	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	147.0301
Annotation	2-Dehydro-3-deoxy-D-xylonate
Peak:m/z	Relative Intensity
57.03451	19.2
58.00592	2.4
59.01382	35.1
62.17049	1.6
71.01382	14.6
71.60593	2.6
72.99310	4.7
73.02943	1.8
75.00877	8.3
81.02558	1.6
83.01375	1.9
85.02951	41.1
86.03322	1.6
87.00876	55.1
89.02435	2.0
92.95998	2.2
94.07735	1.9
95.05024	3.0
98.62391	1.5
99.00872	3.6
101.02465	2.9
102.05584	3.0
103.03991	4.6
103.05923	3.8
117.03476	3.0
118.03812	2.0
118.08362	1.4
119.04166	2.7
119.05022	29.1
120.05381	2.2
129.01956	11.8
129.03490	6.0
134.97086	2.8
144.95465	2.1
145.02904	3.2
146.03658	2.7
147.03033	13.9
147.04523	100.0
148.03397	1.6
148.04936	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	138.0562
Annotation	Myrothenone B
Peak:m/z	Relative Intensity
69.38321	0.8
69.38609	2.4
69.39032	3.1
90.60297	0.6
95.05050	1.0
98.19579	0.5
98.19892	1.5
105.70898	0.7
108.02191	2.0
111.00896	1.5
122.02481	1.6
123.03276	71.7
124.03633	3.5
136.03828	0.7
138.01979	3.1
138.05621	100.0
139.05977	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	140.0719
Annotation	Ethosuximide
Peak:m/z	Relative Intensity
51.00200	0.6
55.01865	0.6
55.23728	0.6
59.01376	0.8
68.99828	1.1
69.03441	1.0
70.73368	0.6
71.61662	0.8
72.38451	0.6
85.02960	1.8
86.64902	0.6
92.53853	0.6
95.01406	1.4
97.02973	0.9
99.04523	0.8
111.00875	1.5
112.01260	0.7
113.02453	0.8
128.30847	0.6
134.49683	0.7
140.07185	100.0
141.01959	2.0
141.07520	6.4
141.09262	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0663
Annotation	1-Naphthylamine
Peak:m/z	Relative Intensity
69.58305	2.5
71.01405	0.5
73.41975	0.3
85.02956	0.5
89.29276	0.3
98.19904	0.6
116.05072	3.8
140.05121	0.8
142.06628	100.0
143.06978	9.1
143.10788	0.7
156.15179	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69645	2.8
53.00074	3.5
53.00304	27.4
56.31234	3.3
59.01384	6.5
66.10300	2.5
68.99801	4.1
69.57813	16.9
71.01388	36.8
75.89039	2.7
87.00877	11.1
96.99306	29.0
98.19878	6.2
104.18879	3.1
112.53484	3.1
112.98810	43.1
124.98814	58.3
140.98300	12.6
142.99866	100.0
144.00157	3.0
160.22029	3.2
163.92949	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0294
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
70.90079	0.5
80.49630	0.5
89.03986	1.7
96.25444	0.5
98.19905	1.4
113.59001	0.5
117.03472	100.0
118.02999	1.0
118.03786	6.8
145.02959	44.5
145.04820	1.3
146.02335	1.0
146.03412	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	138.0198
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
58.16636	0.4
69.53587	2.1
69.53997	0.9
108.02183	74.8
109.02499	3.7
111.00846	0.5
138.01979	100.0
139.02336	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	138.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42160	0.3
61.07939	0.4
64.76259	0.4
67.01884	0.8
71.60878	0.3
80.02670	0.5
91.01924	0.9
92.69682	0.3
94.03812	1.1
95.01385	0.8
102.75005	0.4
108.02182	75.4
109.02526	4.1
111.00887	3.0
123.03275	0.6
138.01976	100.0
138.23718	0.3
139.00372	1.3
139.02350	5.0
139.04007	0.6
159.09978	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0199
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
52.77921	0.4
53.51323	0.4
69.32301	4.3
86.02271	0.5
94.03809	1.4
95.01450	0.5
98.20719	0.7
108.02184	71.8
109.02505	4.9
111.00894	3.1
114.16684	0.4
123.03252	0.5
124.01656	0.5
138.01981	100.0
139.00406	1.3
139.02327	6.2
139.04001	0.7
143.56088	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0145
Annotation	D-(+)-Malic acid
Peak:m/z	Relative Intensity
56.93423	0.7
59.01384	2.1
61.38571	0.8
69.77728	2.3
69.78139	2.2
71.01388	83.9
72.01730	3.3
72.99317	18.0
85.74032	0.9
87.00875	1.3
89.02457	8.2
114.08630	0.8
115.00381	100.0
116.00723	3.6
125.17234	0.8
133.01442	19.2
133.02501	1.2
133.02977	2.4
133.05040	0.8
133.06612	10.9
134.01820	1.0
134.03818	1.0
134.04790	1.5
134.06903	1.0
143.95116	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0199
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
56.34167	0.6
58.36280	0.6
67.01894	2.0
68.99835	0.8
69.89847	0.6
70.31096	0.7
70.31430	2.5
77.83242	0.6
91.52030	0.6
93.03433	0.9
94.03795	2.2
99.63124	0.7
108.02184	72.1
109.02493	4.2
110.02514	0.7
111.00887	5.1
123.03268	4.5
130.03154	0.7
134.93179	0.6
136.00371	1.0
138.01979	100.0
138.05577	4.4
139.00362	3.0
139.02327	5.7
140.54073	0.6
147.64687	0.8
149.59023	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0145
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93423	0.7
59.01384	2.1
61.38571	0.8
69.77728	2.3
69.78139	2.2
71.01388	83.9
72.01730	3.3
72.99317	18.0
85.74032	0.9
87.00875	1.3
89.02457	8.2
114.08630	0.8
115.00381	100.0
116.00723	3.6
125.17234	0.8
133.01442	19.2
133.02501	1.2
133.02977	2.4
133.05040	0.8
133.06612	10.9
134.01820	1.0
134.03818	1.0
134.04790	1.5
134.06903	1.0
143.95116	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0144
Annotation	D-(+)-Malic acid
Peak:m/z	Relative Intensity
57.03436	1.3
59.01369	3.1
67.63685	1.1
70.73634	2.8
71.01389	81.3
72.01739	2.6
72.99314	21.2
74.55414	1.2
77.68460	1.0
87.00884	3.5
89.02454	8.8
104.82780	1.2
115.00380	100.0
116.00713	3.4
121.62470	1.1
132.88651	5.4
133.01437	20.6
133.02939	2.4
133.05029	1.1
134.21317	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0195
Annotation	2,5-Dioxopentanoate
Peak:m/z	Relative Intensity
50.63351	2.4
55.01874	5.4
57.03449	27.5
59.01374	6.5
67.01897	54.8
68.99799	3.7
70.95098	4.5
70.95426	3.0
71.01376	4.5
72.99314	100.0
83.01357	3.5
83.05035	45.8
84.75800	2.4
85.02956	5.9
85.06594	5.6
86.97852	2.7
97.99340	2.9
111.04542	18.7
117.88434	2.3
119.05047	3.6
129.01952	14.5
129.05586	22.5
134.79243	2.6
144.98311	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	129.0559
Annotation	4-Methyl-2-oxopentanoate
Peak:m/z	Relative Intensity
52.91649	1.1
54.62119	1.1
57.03460	1.6
67.01900	1.9
70.37157	2.8
70.37549	3.2
72.99313	100.0
73.99660	1.4
83.05031	43.5
83.05531	2.3
84.05351	1.7
85.02969	1.8
85.06611	7.1
96.19685	1.2
111.04518	17.4
128.90184	1.3
129.01950	2.6
129.05583	16.5
132.22079	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0559
Annotation	4-Methyl-2-oxopentanoate
Peak:m/z	Relative Intensity
53.81174	1.3
55.01875	4.6
57.03460	15.3
59.01373	5.4
63.27205	1.3
64.56578	1.3
67.01896	34.0
68.99828	3.7
70.10916	4.3
71.01379	4.6
72.99314	100.0
73.02914	2.0
83.05033	44.3
84.05342	1.8
85.02958	4.0
85.06609	9.2
111.04536	21.9
129.01953	9.3
129.05588	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	3.1
71.01387	85.7
71.30602	1.7
72.01724	3.1
72.99310	17.8
85.87135	0.9
87.00883	6.8
87.04534	1.0
89.02459	9.6
115.00381	100.0
116.00705	3.1
131.05025	1.1
132.02187	3.0
132.05795	2.2
133.01437	21.6
133.02960	17.7
133.05066	5.7
133.06599	12.9
134.01660	1.0
134.03322	1.1
134.04691	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	119.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03954	0.2
65.34104	0.1
70.30644	0.3
70.31031	0.3
72.99306	0.2
79.89613	0.1
91.05548	1.2
93.03462	4.7
94.03799	0.3
104.02677	0.4
117.03501	0.7
119.05033	100.0
120.05363	7.2
122.21643	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	119.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99310	0.9
77.21101	0.2
91.05540	1.0
93.03455	5.0
104.02703	0.4
117.03461	0.7
118.92657	0.4
119.05035	100.0
120.05379	7.0
136.92384	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0297
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
65.03953	0.3
69.45399	1.9
86.69389	0.3
91.01913	1.0
93.03470	2.7
94.03017	0.3
95.01398	1.1
108.02190	3.3
121.02965	100.0
122.02573	0.3
122.03300	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	119.0504
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
52.75936	0.6
72.99312	2.6
75.00887	0.8
79.19247	0.5
91.05526	1.4
93.03464	5.1
113.18089	0.6
118.92680	1.3
119.05039	100.0
120.05367	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	119.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57804	0.2
65.03959	0.4
69.98007	0.9
72.99336	0.6
91.05537	1.4
93.03465	4.8
94.03829	0.2
104.02721	0.4
115.87711	0.2
117.03490	0.9
119.05036	100.0
120.04498	0.4
120.05375	7.6
120.41833	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0501
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
54.81753	0.7
59.01397	0.8
60.58000	0.6
71.61154	0.7
71.61583	1.0
72.39493	0.7
72.99311	6.7
75.00877	1.5
83.95499	0.7
87.80903	0.6
91.05541	1.4
93.03461	5.1
101.92420	1.7
104.02673	0.7
108.69166	0.7
114.92417	0.6
117.03493	1.1
118.92655	4.0
118.99889	1.0
119.05039	100.0
120.05377	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	1187.268
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01376	1.0
91.01897	0.5
93.03465	2.6
95.01385	0.8
97.02950	0.3
98.19910	0.4
100.71062	0.2
107.01390	3.6
108.02186	0.3
109.02924	1.2
112.16801	0.2
113.02440	0.5
115.00398	0.9
117.03483	1.3
119.01386	0.3
119.05048	0.5
121.02969	0.6
123.00848	0.2
124.01695	0.2
125.02450	0.6
130.04266	0.5
131.05023	0.8
133.02963	0.3
135.00914	1.4
137.02467	0.5
139.00374	0.5
139.01962	0.2
141.07089	0.5
143.05034	1.8
145.02971	1.3
145.06563	0.4
147.04558	0.3
149.02457	0.4
151.00386	6.2
152.00897	0.2
153.01950	0.7
154.04271	0.5
155.05077	0.5
156.05777	0.4
157.01471	0.4
157.06567	1.3
158.03693	0.5
159.04529	2.3
161.02466	0.5
161.06059	0.3
163.00381	3.2
164.01161	1.0
165.01894	0.8
167.03709	0.2
167.05014	1.0
169.01491	1.3
169.06577	1.2
171.04497	1.6
172.04991	0.2
173.02455	0.5
173.06013	0.5
174.03200	0.2
178.99867	0.3
182.03745	0.4
183.04518	1.8
184.05223	0.5
185.02477	0.5
185.06070	3.8
187.04024	3.7
189.05571	1.6
191.03482	0.3
192.00639	0.4
193.01488	0.4
195.04520	0.9
196.05341	0.6
197.06076	1.3
198.03183	0.4
199.03973	1.2
200.04744	0.3
201.05606	1.1
207.03047	0.2
209.06126	0.2
210.06860	2.8
211.04112	3.1
211.07639	8.8
212.04762	0.7
212.07983	0.4
213.05588	3.0
214.02733	0.5
215.03548	0.9
217.05098	0.2
223.03995	0.3
224.04761	0.4
226.02748	0.2
227.03510	14.8
228.03973	0.9
229.05052	12.9
229.07425	0.2
230.05403	0.7
235.07733	0.3
237.09198	0.4
239.03465	2.3
240.04231	1.0
241.05032	2.1
243.03024	0.8
253.05016	0.7
255.02991	26.7
256.03650	3.7
257.04553	8.6
257.07333	0.3
258.04828	0.4
259.04572	0.4
265.08612	1.2
267.02979	1.3
268.03723	0.4
269.04602	1.1
281.04587	1.0
283.02505	5.7
283.05673	0.2
283.99915	0.3
284.03268	31.9
285.04047	100.0
286.04404	5.6
291.06631	0.5
297.04111	1.4
298.04758	0.9
299.05539	0.8
309.04123	0.4
309.07571	0.3
311.05408	0.3
325.03506	0.4
326.04282	1.3
327.05109	8.9
328.05463	0.5
339.05066	0.4
361.71466	0.2
369.06128	0.7
411.07242	0.2
429.08188	0.9
447.09241	3.3
448.09061	0.3
471.13144	0.2
489.10168	1.3
501.10352	0.3
527.08252	0.3
543.11475	0.3
545.09595	1.8
546.09912	0.2
587.10443	1.7
593.13007	0.9
629.11731	0.6
689.13580	11.6
690.14221	1.1
713.18854	0.8
739.16492	0.6
755.20532	0.4
757.17853	2.5
758.18164	0.7
799.18860	6.0
800.18945	0.9
841.19940	1.9
842.19891	0.3
883.20941	0.7
901.21979	37.0
902.22369	6.6
975.18872	0.6
1034.31824	0.3
1187.26733	21.8
1188.27197	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	1187.268
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01379	1.4
83.07554	0.1
85.02962	0.2
89.03974	0.3
91.01904	0.6
93.03465	2.2
95.01407	0.4
98.19900	0.3
107.01390	3.8
108.02197	0.4
109.02950	0.7
113.02413	0.2
117.03474	7.2
119.01396	0.3
119.05038	4.6
121.02930	0.4
123.00876	0.4
125.02444	0.4
130.04225	0.3
131.05031	0.5
132.02148	0.7
133.02986	0.4
133.06587	0.6
135.00902	1.7
135.04459	0.1
137.02431	0.4
143.05035	1.6
145.02957	18.0
145.06606	0.5
146.03322	0.5
147.00943	0.2
147.04550	0.2
149.21399	0.2
151.00380	6.7
152.00899	0.2
153.01938	0.4
154.04239	0.7
155.05045	0.4
156.05832	0.4
157.06578	0.8
158.03717	0.4
159.04500	1.7
161.02521	0.3
161.06084	1.3
163.00389	3.1
163.04016	3.5
164.01192	0.9
165.01907	0.6
167.05069	1.0
168.05704	0.3
169.01492	1.2
169.06613	0.9
171.04521	1.2
173.02414	0.4
173.06047	0.5
174.03339	0.2
175.04065	0.3
178.99901	0.3
182.03772	0.6
183.04533	2.0
184.05296	0.4
185.02457	0.8
185.06071	3.4
186.06401	0.2
187.02469	0.3
187.04013	4.0
189.05533	1.2
190.99841	0.4
192.00603	0.4
195.04520	1.0
196.05280	0.3
197.06055	1.0
199.02425	0.2
199.03938	1.1
200.04764	0.4
201.05576	0.9
205.05017	1.1
211.02092	0.3
211.03996	3.9
212.04770	0.8
213.01927	0.5
213.05533	3.1
214.02719	0.7
215.03499	0.7
217.05049	0.3
223.03986	0.3
223.07640	0.7
226.02675	0.2
227.03503	30.9
228.03908	1.6
229.05054	10.4
230.05365	0.5
239.03508	2.3
240.04327	1.0
241.05058	2.2
243.02934	0.7
253.04973	0.5
255.02989	57.2
256.03610	8.3
257.04550	8.1
258.04834	0.5
265.07196	0.6
267.02908	0.9
268.03833	0.4
269.04480	0.6
271.06183	0.3
281.04486	0.7
283.02499	3.5
284.03271	62.9
285.04034	100.0
286.01163	0.2
286.04391	5.4
297.04178	0.7
298.04669	0.6
299.05646	0.6
307.08301	2.5
309.04062	0.4
309.07587	0.4
326.04300	0.8
327.05090	6.0
328.05359	0.2
369.06232	0.3
371.50900	0.1
447.09338	2.7
503.11487	0.2
555.15027	0.2
575.11664	0.3
593.13025	68.6
594.13397	7.4
615.17505	0.2
635.14069	4.0
636.14093	0.5
713.18396	0.3
725.65283	0.2
737.16547	0.2
739.16504	0.3
755.18341	0.6
757.17749	2.0
758.17798	0.2
799.18805	3.6
800.19049	0.4
841.19586	1.0
883.21375	0.4
901.21973	35.5
902.22302	6.2
1187.26758	21.1
1188.26941	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	1111.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
82.02985	3.5
90.37862	0.7
94.02972	1.0
94.74880	0.7
96.04550	0.9
98.22627	0.9
98.65260	0.7
107.04989	0.7
108.04565	1.0
112.04066	0.7
118.84451	0.7
120.04577	4.6
121.06602	1.2
129.05569	2.4
131.79359	0.6
132.04559	0.8
132.25954	0.6
134.06111	0.8
135.03227	0.7
136.07677	3.2
137.45161	0.6
138.05634	1.2
138.09216	0.7
147.04565	0.9
147.05617	1.4
148.04054	30.4
148.05228	1.6
149.04739	1.6
150.05617	17.1
154.05077	1.1
160.02821	1.0
160.04044	11.7
161.04831	54.6
162.05576	4.2
163.02817	0.7
164.03578	1.5
172.05304	0.8
173.03577	3.8
173.06042	0.9
174.04318	6.7
174.05638	3.6
174.09210	0.7
175.05124	46.9
175.06364	2.5
176.05878	4.0
176.07201	0.7
177.06631	0.7
184.07594	0.7
185.40306	0.6
186.05585	1.6
187.06415	3.7
188.07182	1.4
189.06708	3.3
190.07478	8.8
191.08290	6.6
193.21986	0.7
200.07146	1.0
200.10817	1.0
201.07918	2.2
201.09421	1.5
202.03868	1.5
202.08806	9.5
203.04620	12.5
203.08281	1.3
204.06682	0.8
214.11128	1.0
215.05983	1.5
215.08153	1.1
215.11769	0.7
216.06735	5.5
216.10304	1.1
217.07460	1.3
217.09978	0.7
226.08842	1.1
227.09561	1.1
228.06660	1.8
229.07455	1.3
231.07751	2.4
232.08542	9.3
233.09302	26.1
234.09685	1.5
241.09821	0.9
242.08185	1.5
243.07678	1.3
243.11354	1.0
244.09816	62.9
245.09296	7.2
246.07742	0.7
261.12524	0.7
263.10300	1.6
268.08359	0.7
269.09457	1.2
270.07706	0.9
281.09479	1.0
286.09497	4.3
287.10434	7.3
288.08685	8.9
289.09372	1.1
295.10843	1.5
304.10544	0.8
305.11441	13.7
312.13693	1.8
338.11407	7.0
339.12433	0.8
352.60263	0.6
370.17905	3.0
400.18945	1.6
424.19089	1.0
431.23260	1.5
442.19849	5.3
450.16534	0.8
454.19800	1.8
455.18481	1.0
467.17026	1.2
468.17767	100.0
469.18030	8.7
472.20914	15.0
605.26172	34.7
606.26471	3.9
617.26538	2.1
635.27234	71.7
636.27393	7.9
650.46948	0.7
680.42517	0.8
853.35083	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.061
Annotation	2,3-HEXANEDIONE
Peak:m/z	Relative Intensity
55.01866	9.9
55.96022	3.5
57.03449	43.4
59.98440	3.9
62.15151	4.1
68.99574	83.9
69.03457	7.9
69.47587	27.0
71.01375	9.6
83.01372	7.8
84.02169	13.6
85.02959	90.8
86.03294	4.6
113.02467	43.5
113.06094	100.0
114.05614	14.7
114.06408	6.8
132.55281	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	1137.7284
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03459	3.2
83.01387	0.7
83.05032	7.2
85.02959	1.8
89.02460	0.4
95.01383	0.4
99.00883	0.6
101.02451	2.9
107.06129	0.3
108.04607	0.4
109.02942	0.3
113.02441	1.5
117.03452	0.2
119.03460	0.2
119.05026	0.3
125.07201	0.5
126.05595	0.3
143.03485	0.2
143.08238	0.3
145.02982	0.8
149.04535	0.2
151.00333	0.2
159.02960	0.3
159.04390	0.2
161.02467	0.2
161.04578	1.0
163.03955	0.2
177.94232	0.2
185.02400	0.3
207.15047	0.8
224.17693	1.6
225.16090	9.4
226.16405	0.3
229.01326	0.2
242.18742	0.4
255.02979	0.3
268.16742	0.2
271.02399	0.4
290.22195	0.2
295.06186	0.5
300.02750	0.6
301.03448	0.6
309.21918	0.6
324.26669	0.2
333.22830	0.5
341.29153	0.7
355.21265	0.2
367.27206	1.0
373.22305	3.4
374.22696	0.4
385.28433	0.2
415.23401	5.9
416.23840	0.5
433.31946	0.9
450.34488	1.4
451.32938	7.1
452.33109	0.6
459.12711	0.3
459.22601	0.3
463.08475	0.3
476.32629	0.2
550.43591	1.1
559.39801	0.6
565.44788	0.3
593.43866	0.9
606.82855	0.2
625.11902	0.9
659.48560	2.4
660.48407	0.3
677.49713	100.0
678.50000	15.1
678.62317	0.3
679.50232	0.3
778.86279	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1106.6611
Annotation	Unknow
Peak:m/z	Relative Intensity
76.65408	0.3
78.95910	18.7
122.00125	0.8
123.21198	0.2
130.56390	0.2
134.98471	0.3
140.01198	4.8
148.25798	0.3
152.99605	1.4
196.03807	8.5
196.75104	0.3
214.04848	1.9
232.69618	0.2
237.22343	0.3
255.23302	100.0
256.23663	4.1
355.93668	0.3
452.27847	90.9
453.28143	5.4
1106.59021	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0296
Annotation	Catechol
Peak:m/z	Relative Intensity
54.46760	0.4
59.64739	0.4
65.00319	0.4
65.04003	0.4
66.96053	0.4
69.36009	3.5
69.36404	1.0
78.36896	0.4
81.03451	2.6
91.01889	2.9
96.54160	0.4
97.21738	0.4
98.20601	0.7
108.02180	17.2
109.02959	100.0
110.03310	6.2
121.23587	0.4
129.32230	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0296
Annotation	Catechol
Peak:m/z	Relative Intensity
52.21087	0.5
55.64835	0.5
69.86897	0.9
69.87308	1.6
78.27635	0.5
81.03450	2.6
91.01902	3.1
98.19881	1.0
104.84613	0.5
108.02182	16.6
109.02961	100.0
110.03271	6.2
110.03904	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1091.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
81.41540	0.2
83.01395	0.5
91.01871	0.2
93.03399	0.2
101.02430	0.3
101.06099	0.8
106.05650	0.2
107.01385	1.4
108.02188	0.6
109.02943	0.7
110.31027	0.2
121.02966	0.8
125.02509	0.2
131.03513	0.2
135.00926	0.5
138.44606	0.2
148.01695	0.6
151.00371	6.8
159.04527	0.2
163.00407	1.0
164.01193	0.4
169.01450	0.3
173.06204	0.2
178.99870	3.2
183.04398	0.2
187.04042	0.2
190.99857	0.2
198.03209	0.3
199.03954	0.2
203.03522	0.3
211.04024	0.5
215.03453	0.2
216.04277	0.5
226.02687	0.8
227.03561	1.6
229.01338	0.2
229.05043	0.2
243.02963	6.1
244.03529	0.5
245.04443	0.5
254.02258	1.4
255.02991	16.0
256.03348	0.9
257.04507	0.3
271.02481	33.0
272.02942	2.5
273.04102	0.6
275.11417	0.2
283.02527	0.5
297.04114	0.2
299.01950	0.7
300.02753	68.4
301.03479	21.9
302.03745	0.9
343.04630	0.7
392.72092	0.2
609.14600	100.0
610.14929	8.0
756.46008	0.2
1036.00610	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1093.4875
Annotation	Unknow
Peak:m/z	Relative Intensity
82.02994	4.2
83.01403	0.7
91.34772	0.5
94.03014	0.6
96.04523	1.0
98.20733	1.1
101.02451	1.2
107.05098	0.5
112.04058	1.8
120.04563	4.4
121.06588	1.3
122.06133	1.4
123.94887	0.5
129.05624	2.0
132.04550	1.1
134.06149	0.7
135.03253	0.5
135.04518	0.6
136.04082	0.7
136.07678	2.5
138.05641	1.3
138.09285	1.9
140.04155	0.6
142.40401	0.6
146.06136	0.8
147.04536	1.3
147.05708	0.6
148.04056	27.5
149.04686	1.9
150.05617	18.2
154.05101	1.9
159.08138	0.9
160.02771	1.3
160.04019	10.1
161.04829	52.0
162.05582	4.2
163.02737	0.7
164.03560	1.9
164.07185	1.2
172.05322	0.8
173.03517	3.8
173.04807	0.9
173.06068	0.8
174.04338	5.8
174.05646	3.3
175.05128	47.0
175.06317	2.4
175.70157	0.6
176.03600	1.2
176.05893	4.4
176.07266	0.9
177.06718	1.2
186.05591	1.7
187.06429	3.5
188.07193	1.7
189.06686	3.6
190.05025	0.9
190.07439	8.0
190.08910	0.5
191.05786	0.7
191.08279	5.8
192.06631	0.9
200.07188	1.3
200.10812	1.2
201.07635	2.5
201.09267	2.2
201.10963	0.7
202.03848	1.2
202.08849	8.5
203.04605	10.1
203.08348	1.5
204.06627	0.9
213.06647	0.8
214.05154	1.0
214.11169	1.1
215.06004	1.3
215.08278	1.8
216.06706	5.2
216.10452	1.2
217.07532	0.7
217.09738	0.8
219.11368	0.9
226.08717	2.0
228.06697	1.8
229.07408	2.1
231.07771	2.3
232.08580	9.0
232.10760	1.1
233.09317	27.7
234.09683	0.7
241.09872	1.6
242.08316	1.0
243.07787	1.8
243.11258	1.0
244.09824	66.8
245.09300	7.9
246.07736	1.2
257.09335	1.4
261.08545	0.6
263.10330	2.7
268.08450	0.8
269.09482	0.9
270.07764	0.7
285.04089	0.7
285.08954	1.0
285.12143	0.8
286.09802	2.7
287.10413	7.5
287.14001	2.5
288.08752	9.0
291.16040	0.6
295.10910	2.2
300.02872	0.8
304.10812	0.6
305.11441	13.5
306.11588	0.7
312.13614	2.1
313.11841	0.8
329.14713	0.7
338.11496	6.8
339.12109	0.8
362.18588	0.8
370.17645	3.8
382.17709	0.8
396.15427	1.2
400.18832	1.5
406.17670	0.9
412.18872	0.8
424.18777	2.4
442.19724	3.9
450.16437	0.7
454.20007	1.9
455.18457	1.1
466.20071	1.0
467.16971	2.1
468.17758	100.0
469.18170	8.4
472.20871	14.8
473.21149	1.8
473.27328	0.9
496.20947	0.7
539.42670	0.6
563.25146	1.7
587.25159	2.2
605.26196	34.6
606.26788	3.9
609.12738	1.0
617.26233	6.4
633.25989	0.7
635.27234	75.8
636.27539	7.8
877.30780	0.6
991.34076	0.8
1049.34387	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1083.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
80.21545	0.2
83.01405	0.5
88.23926	0.2
93.03461	0.2
98.20010	0.2
107.01396	1.5
108.02197	0.7
108.55478	0.1
109.02959	0.5
121.02940	0.9
125.02438	0.2
135.00922	0.3
146.62766	0.2
148.01683	0.5
151.00386	5.3
161.02452	0.2
163.00386	1.2
163.03947	0.2
163.69409	0.2
164.01140	0.4
169.01437	0.4
169.17247	0.2
175.03963	0.2
177.01947	0.3
178.99860	2.9
183.04527	0.3
187.03932	0.3
190.99911	0.2
193.01402	0.2
197.37485	0.2
199.04015	0.5
201.01869	0.2
203.03494	0.3
211.04016	0.5
213.01942	0.2
215.03427	0.4
216.04269	0.3
226.02675	0.9
227.03523	1.8
229.05048	0.4
243.02979	6.0
244.03654	0.3
245.04437	0.5
254.02209	1.7
255.02991	17.1
256.03424	1.0
271.02484	36.1
272.02963	2.8
273.04001	0.7
283.02481	0.5
299.02054	0.9
300.02759	73.0
301.03461	20.6
302.03934	1.2
343.04608	0.5
353.06628	0.4
609.14612	100.0
610.14893	9.8
610.25122	0.3
611.15698	0.4
652.34503	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1085.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01398	0.3
97.83862	0.2
107.01388	1.9
108.02194	0.7
109.02986	1.5
121.02985	1.2
125.02512	0.3
133.02927	0.3
135.00883	0.5
148.01697	0.7
149.02422	0.2
151.00375	7.3
151.01552	0.5
152.00780	0.3
158.41756	0.2
159.04475	0.4
161.02420	0.6
163.00386	1.8
164.01248	0.3
169.01439	0.4
173.02388	0.3
177.01942	0.4
178.99872	3.7
180.00314	0.3
185.02461	0.4
187.04039	0.4
189.01987	0.2
192.00769	0.3
199.03963	0.3
201.01817	0.3
201.05650	0.4
211.03996	0.7
213.02017	0.4
215.03522	0.4
216.04274	0.5
226.02690	1.1
227.03502	2.2
229.04974	0.4
239.03508	0.3
243.02979	6.1
244.03514	0.7
245.04538	1.6
254.02246	1.2
255.02988	18.3
256.03427	2.0
271.02487	39.7
272.02933	4.4
273.03571	0.8
281.04797	0.3
283.02527	1.1
293.08566	0.3
299.01926	1.3
300.02765	70.3
301.03470	29.5
302.03690	3.3
303.04031	0.4
313.03894	0.3
326.03821	0.3
327.05121	0.4
343.04388	0.6
355.08194	1.0
382.35535	0.3
431.09857	0.5
485.74860	0.3
609.14618	100.0
610.14966	15.2
611.15131	5.7
611.25214	0.4
612.15637	0.4
625.11627	0.7
650.96954	0.3
950.40833	0.3
997.19452	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1069.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
75.62235	0.2
83.01400	0.7
85.02983	0.5
89.02464	0.8
93.03450	0.6
95.01386	0.3
101.02455	1.3
104.38542	0.2
107.01411	1.0
109.02945	0.8
113.02464	1.5
119.03522	0.6
131.03513	0.3
132.02155	0.5
135.00868	0.9
143.03465	0.3
149.04526	0.3
151.00377	2.4
159.04509	0.4
161.02428	0.3
161.04593	0.4
163.00392	0.9
164.01115	0.4
167.05095	0.3
169.06543	0.3
170.22034	0.2
178.99857	0.5
179.05627	0.4
180.31129	0.2
183.04494	0.3
185.02460	0.8
185.06129	0.6
187.04027	0.8
189.05501	0.3
195.04497	0.2
197.05995	0.6
199.04007	0.4
200.04710	0.2
211.04024	1.5
212.04666	0.4
213.05598	0.5
221.06641	0.3
227.03503	22.4
228.03871	2.5
229.05106	3.0
239.03465	0.9
240.04285	0.3
241.05049	0.6
243.03160	0.2
243.98271	0.2
255.02986	40.5
256.03436	6.6
257.04510	2.5
258.04840	0.2
267.02728	0.4
269.04657	0.2
271.02533	0.8
283.02567	0.3
284.03268	63.3
285.03958	27.3
286.04190	4.3
287.04453	0.7
295.06165	0.6
300.02808	1.1
301.03488	0.9
326.14053	0.2
327.05142	0.9
328.05313	0.3
371.20636	1.0
389.21936	0.5
431.22940	1.2
463.08716	0.4
593.15112	100.0
594.15479	17.3
595.15698	8.9
596.16089	0.3
609.13562	0.4
897.12854	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1069.377
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01392	0.4
85.02992	0.2
89.02420	0.2
90.23842	0.2
93.03455	0.7
93.04063	0.2
101.02445	0.7
107.01397	1.1
109.02948	0.5
113.02441	0.2
125.02471	0.2
132.02246	0.4
135.00887	0.9
143.05019	0.4
145.06552	0.2
151.00415	1.6
151.97067	0.2
153.01967	0.3
157.06580	0.3
159.04521	0.6
161.02426	0.4
163.00375	1.4
164.01199	0.3
165.01959	0.3
167.05009	0.4
169.01466	0.2
169.06572	0.5
171.04568	0.4
173.05983	0.2
175.04099	0.2
178.99855	0.4
183.04443	0.3
185.06055	1.4
187.03978	1.6
189.05609	0.6
195.04596	0.3
197.06055	0.5
199.04025	0.5
201.05560	0.3
211.03978	1.3
212.04675	0.3
213.05592	1.2
215.03590	0.2
219.77135	0.2
227.03508	17.2
228.03888	1.0
229.05063	7.1
230.05376	0.5
239.03490	1.1
240.04231	0.6
241.05125	0.9
243.02943	0.3
255.02995	32.3
256.03558	3.8
257.04565	4.1
267.02939	0.7
269.04752	0.2
271.02356	0.2
283.02615	0.4
284.03271	42.8
285.04037	56.2
286.04355	3.8
287.04608	0.4
295.06049	0.2
299.05527	0.3
300.02722	0.2
301.03427	0.3
327.05234	0.9
357.06146	0.2
361.86084	0.2
431.23010	0.4
523.52460	0.2
593.15125	100.0
594.15460	11.9
595.15729	2.3
930.17719	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1067.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
75.54439	0.2
83.01405	0.9
84.96876	0.2
93.03496	0.5
101.02474	0.6
107.01397	2.0
108.02195	0.4
109.02960	1.0
113.02425	0.4
117.03479	0.5
119.04990	0.2
121.02988	1.0
125.02441	0.3
132.02164	0.4
133.02951	2.6
134.03741	0.3
135.00888	0.5
135.04538	4.6
137.02380	0.3
138.09218	0.3
145.02971	1.0
146.09946	0.2
148.01704	0.4
148.04060	0.3
149.06033	0.3
151.00381	6.3
153.02013	0.2
159.04503	0.7
161.02457	9.9
161.04536	0.4
162.02879	0.2
163.00383	1.6
164.01202	0.5
167.04970	0.3
169.01437	0.6
175.03973	0.4
177.01852	0.3
177.05608	0.7
177.35349	0.2
178.99898	2.2
179.03482	3.8
185.02444	0.3
185.06013	0.6
187.04021	0.8
189.05553	0.3
190.99907	0.3
192.00606	0.4
193.01485	0.2
199.04034	0.4
203.03616	0.3
211.04044	0.9
213.05606	0.7
215.03462	0.4
221.04564	0.8
226.02785	0.6
227.03508	5.8
228.04082	0.4
229.05087	2.2
230.05530	0.2
239.03398	0.4
243.03012	4.6
244.09714	0.6
245.04570	0.6
254.02271	0.8
255.00203	0.3
255.02994	17.9
256.03552	1.5
257.04507	1.5
271.02490	22.2
272.03091	1.9
273.04010	0.5
283.02399	0.7
284.03281	9.4
285.04056	21.1
286.04388	0.7
299.01953	0.6
300.02762	42.6
301.03522	20.2
302.03830	1.3
323.07635	2.5
381.18213	1.3
382.18442	0.9
383.18842	0.4
447.09241	0.8
463.08844	10.9
464.09042	0.8
468.17850	0.5
608.27838	0.5
609.12512	100.0
610.12842	11.3
626.17346	0.3
635.27234	0.3
807.84583	0.3
989.76129	0.3
1025.99158	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.6219
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02953	1.5
83.01432	0.8
85.02966	1.8
87.00902	0.8
87.45242	0.7
89.02446	6.4
95.01366	0.9
101.02456	7.7
103.04056	0.7
113.02457	3.0
113.76182	0.6
116.92872	2.1
119.03552	0.7
161.04561	3.0
179.05611	1.2
203.18062	1.3
235.08264	1.9
253.09297	37.0
254.09631	0.9
257.22806	6.4
277.21735	100.0
278.22073	7.2
280.79297	0.7
301.21738	82.0
302.22034	7.2
302.62668	0.8
308.95367	0.7
371.98920	0.7
652.56042	0.8
765.16101	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1053.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01388	0.4
107.01406	1.2
108.02188	0.7
109.02987	1.0
121.02964	0.6
124.01616	0.2
135.00893	0.6
148.01695	0.7
150.99152	0.4
151.00380	6.5
152.00806	0.2
159.04509	0.2
161.02444	0.6
161.06075	0.4
163.00429	1.0
164.01132	0.3
169.01373	0.5
178.99850	2.6
183.04672	0.3
187.04015	0.8
191.00008	0.4
193.01434	0.2
198.03201	0.3
201.05598	0.2
203.03439	0.3
205.05028	0.5
211.04012	0.6
215.03496	0.4
216.04295	0.3
226.02695	0.8
226.84317	0.2
227.03500	1.7
229.05089	0.3
233.04382	0.3
243.02977	5.8
244.03482	0.3
245.04570	0.5
251.07381	0.2
254.02138	1.3
255.02998	17.5
256.03366	1.1
256.66351	0.2
271.02484	37.0
272.02936	2.4
273.04129	0.4
281.04608	0.3
281.69427	0.2
283.02481	0.6
297.04004	0.3
297.07358	0.2
299.01971	1.0
299.05652	0.6
300.02765	71.9
301.03479	19.3
302.03864	1.0
323.05643	0.9
341.06772	0.5
343.04663	0.6
355.08243	0.2
399.07193	2.8
609.14618	100.0
610.14929	10.9
611.15045	0.6
649.14105	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1057.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
79.91149	0.3
83.01382	0.7
84.67592	0.3
93.03460	0.6
93.81937	0.3
98.19898	0.7
107.01379	2.2
108.02206	1.1
109.02962	2.7
119.01387	0.3
121.02970	1.4
123.52029	0.4
124.01623	0.5
135.00897	0.9
148.01692	0.7
149.02478	0.5
151.00372	8.5
152.00957	0.3
153.01932	2.9
159.04541	0.5
161.02422	0.5
163.00357	2.5
164.01186	0.9
165.05571	0.8
169.01472	0.7
173.06294	0.3
174.03279	0.3
178.99890	4.5
183.04509	0.6
187.03987	0.6
189.05475	0.3
190.99927	0.5
195.04478	0.4
196.31410	0.3
199.04033	0.8
201.05641	0.5
203.03575	0.5
211.03926	1.5
213.05377	0.3
215.03427	0.6
216.04379	0.6
226.02689	1.3
227.03491	12.4
228.03972	0.7
229.05072	1.6
239.03287	0.5
243.02957	7.8
244.03438	0.4
245.04541	0.9
254.02190	1.6
255.02982	40.3
256.03531	3.3
257.04587	1.6
271.02481	45.0
272.02951	3.6
273.03903	0.5
283.02429	1.8
284.03268	31.3
285.03989	12.6
286.04474	0.8
297.06140	1.1
299.01953	1.1
300.02753	83.2
301.03491	38.2
302.03906	1.6
327.05057	0.4
343.04321	0.4
357.86209	0.4
453.07916	0.3
462.07880	0.3
463.08704	100.0
464.08969	7.1
572.72296	0.3
592.40057	0.3
593.15100	60.3
594.15479	5.6
771.49933	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1049.6792
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95911	15.4
84.54229	0.3
89.16647	0.3
104.16338	0.3
104.61474	0.3
122.98531	0.4
123.15627	0.3
147.85617	0.3
152.99606	2.6
159.04486	0.4
161.02477	0.3
168.04300	2.0
224.06920	8.1
242.07994	1.3
255.23296	95.9
256.23596	4.9
480.30960	100.0
481.31284	6.3
495.27295	0.6
554.34662	4.3
555.35138	0.5
705.42035	0.4
827.45148	0.7
941.05511	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02950	0.3
73.35036	0.2
75.02402	0.2
75.02866	0.2
82.10807	0.2
83.01408	0.4
85.02937	0.3
87.35554	0.2
93.03465	0.7
97.03006	0.2
98.20749	0.4
101.02419	0.4
107.01387	1.5
108.53533	0.2
109.02899	0.3
113.02474	0.2
117.03469	2.0
119.05035	1.9
132.02170	0.4
135.00912	0.7
143.05035	0.5
145.02965	6.6
145.06624	0.2
151.00386	2.6
153.01877	0.3
154.04321	0.3
159.04500	0.5
161.06088	0.3
163.00441	1.3
163.04018	1.5
164.01120	0.5
169.01465	0.4
169.06619	0.3
171.04521	0.3
183.04498	0.5
185.06070	1.3
187.03999	1.4
189.05540	0.6
189.86816	0.2
195.04523	0.2
196.05093	0.2
197.06065	0.4
199.04002	0.5
201.05563	0.5
211.03990	1.5
212.04755	0.4
213.05568	0.9
227.03506	17.5
228.03915	1.1
229.02762	0.3
229.05046	4.9
239.03520	0.9
240.04080	0.4
241.05016	0.8
243.02969	0.2
255.02991	34.1
256.03622	4.4
257.01816	0.2
257.04541	3.5
258.04968	0.3
267.03159	0.4
283.02570	0.3
284.03268	43.7
285.04037	46.5
286.04413	2.9
307.08273	1.1
327.05219	0.3
447.09137	1.3
448.09998	0.2
593.13025	100.0
594.13354	11.7
595.13641	0.5
988.83051	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1046.606
Annotation	Unknow
Peak:m/z	Relative Intensity
88.56482	13.6
113.23051	13.8
116.92832	15.7
211.07668	100.0
302.43848	17.8
859.84564	18.1
950.98596	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1046.6064
Annotation	Unknow
Peak:m/z	Relative Intensity
74.11625	10.8
76.34650	11.1
78.43167	10.6
93.65363	10.3
98.93008	10.9
121.98552	10.7
131.37541	10.4
133.15826	11.1
153.70650	12.4
183.01241	19.9
211.07645	100.0
280.74496	11.6
339.19913	46.8
358.11325	13.9
388.01746	10.2
459.28644	11.1
496.99707	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	1046.6058
Annotation	Unknow
Peak:m/z	Relative Intensity
73.33986	6.4
98.19744	16.8
103.59321	6.6
211.05856	10.1
211.07680	100.0
255.02014	7.5
325.18405	15.6
339.19577	10.6
457.24515	8.9
638.64630	8.4
725.31616	8.3
747.94385	9.2
909.56653	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	1046.6064
Annotation	Unknow
Peak:m/z	Relative Intensity
83.58035	7.6
84.17857	6.4
98.19839	20.2
116.92837	7.7
127.51447	6.8
134.26030	7.9
135.88773	6.9
147.89604	8.2
155.98552	7.1
170.64020	7.4
211.07652	100.0
212.07898	10.1
230.14236	9.9
383.46252	7.4
577.27234	6.9
750.05585	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	1041.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
82.51029	0.3
82.87828	0.4
84.62402	0.3
91.01899	0.5
93.03471	0.7
95.01364	0.3
98.20654	0.6
101.94516	0.3
103.61832	0.3
107.01401	1.2
108.02188	1.1
109.02970	1.4
133.03036	0.5
135.00879	0.8
135.04591	0.5
143.05078	0.6
151.00394	1.4
152.01154	0.6
153.01883	1.7
157.06628	0.4
159.04457	0.8
161.02429	1.0
163.00377	1.3
171.04546	0.5
178.99924	0.4
183.04517	0.6
185.02466	0.5
185.06024	1.6
187.04028	1.9
189.05656	0.5
195.04509	0.4
197.06094	0.8
199.04008	0.9
211.04048	1.4
213.05609	1.1
227.03516	18.6
228.03862	1.1
229.05067	6.7
239.03532	1.3
240.04346	0.6
241.05119	0.9
255.03003	33.9
256.03571	3.5
257.04565	4.0
284.03275	42.1
285.04053	53.0
286.04376	2.8
300.02832	0.7
327.05020	0.8
371.81824	0.4
404.50009	0.4
447.09320	6.0
448.09390	0.6
500.54370	0.4
593.15137	100.0
594.15448	9.3
595.15411	0.5
631.49493	0.4
884.72925	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1045.6078
Annotation	Unknow
Peak:m/z	Relative Intensity
77.92552	0.2
81.03459	3.2
83.05026	6.6
89.02456	0.2
91.05542	0.2
93.03458	1.0
94.20670	0.1
100.00413	0.4
113.02547	0.2
117.03560	0.3
119.05029	100.0
120.05348	2.5
125.07209	0.6
142.06596	0.3
145.02948	0.6
157.13469	0.2
174.69775	0.2
207.15063	0.6
224.17622	1.2
225.16090	7.3
226.16393	0.2
229.06236	0.4
235.14180	0.2
242.18800	0.4
290.22626	0.2
309.21799	0.5
323.11404	0.9
324.26639	0.3
333.22745	0.3
341.29187	0.4
349.11731	0.8
367.13184	0.3
367.27069	0.7
433.31812	0.8
450.34451	0.9
451.32974	5.5
452.32767	0.4
523.20349	0.2
550.43433	0.7
559.39905	0.4
565.44635	0.3
567.46796	0.2
593.43738	0.3
659.48596	1.7
674.76343	0.2
677.49677	84.5
678.49982	10.3
711.49762	0.2
1075.64563	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1013.4815
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	25.6
73.02949	9.3
75.00866	1.0
83.01394	7.0
85.02954	16.6
86.00086	1.5
87.00892	3.8
89.02465	5.1
95.01392	2.3
97.02981	1.1
99.00894	3.7
101.02443	22.5
108.02171	1.3
109.02953	1.0
111.00871	2.8
113.02456	16.0
125.02480	2.7
131.03453	1.7
135.04530	4.5
137.09746	1.1
143.03505	3.2
147.04503	1.4
148.04066	1.3
148.05276	1.0
159.02997	2.5
161.04562	11.3
163.03972	2.0
175.05113	1.9
178.25806	1.3
191.03519	5.6
192.04187	2.0
195.16351	0.9
211.03983	1.6
226.50975	1.1
227.07166	3.2
231.12460	1.0
237.15121	0.9
244.09700	1.7
261.11261	2.1
262.11255	1.0
289.10980	1.6
291.18137	25.5
292.18506	1.3
328.34763	1.4
347.18494	1.4
399.24011	8.7
405.21317	39.6
406.21851	2.7
417.24792	6.1
423.22363	100.0
424.22638	6.6
442.19635	1.5
459.26025	4.6
460.26300	1.6
465.23419	21.8
466.23911	1.8
468.17990	4.3
509.23984	2.6
593.12830	1.5
605.25610	1.3
635.27057	3.4
823.24194	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1037.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02961	0.4
83.01363	0.4
85.02966	0.9
87.00867	0.5
89.02463	2.8
101.02440	1.6
104.05064	0.2
105.45664	0.3
106.06633	100.0
107.06964	2.8
113.02449	1.7
117.77406	0.4
119.03525	0.7
120.08299	0.3
123.03273	5.9
131.03548	0.3
138.05620	93.2
139.05946	2.1
140.07144	0.5
143.03476	0.4
146.06107	0.3
149.04477	0.3
150.05614	77.4
151.04974	0.2
151.05975	1.9
156.29440	0.3
161.02467	0.6
161.04514	0.5
164.07141	1.6
170.96161	0.2
176.07112	0.5
179.05492	0.3
180.06694	0.4
182.08229	0.3
186.42680	0.3
192.06641	1.6
194.04594	5.1
262.85757	0.2
282.09946	2.0
296.07703	0.4
300.10910	2.4
306.51260	0.3
341.10803	0.4
342.11945	13.0
343.12399	0.8
356.09641	0.8
414.14230	0.5
425.05389	0.3
431.90967	0.3
432.15042	3.7
433.15234	0.4
474.16171	30.0
475.16330	1.9
518.15161	91.6
519.15430	6.7
748.82434	0.3
861.34222	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1039.5332
Annotation	Unknow
Peak:m/z	Relative Intensity
72.01731	0.7
72.99303	3.1
73.02952	66.0
74.03304	0.6
75.00874	2.0
81.03431	0.7
81.04707	0.5
83.01392	25.4
85.02961	15.4
87.00870	3.1
89.02451	25.5
95.01397	5.6
97.02957	2.1
99.00880	2.5
99.04546	0.7
101.02451	90.5
102.02783	0.9
111.00856	0.8
112.68710	0.5
113.02457	40.5
114.02795	0.6
119.03507	16.0
125.02453	4.0
129.01953	0.8
131.03514	10.5
133.02943	0.7
139.57892	0.5
143.03514	11.9
147.03011	1.1
149.04558	24.9
151.00398	1.3
155.03529	2.6
159.02919	0.7
161.02417	1.5
161.04565	40.6
162.04863	0.9
177.05511	1.0
179.05652	3.4
187.04066	0.7
203.05588	3.9
204.42697	0.5
217.10756	1.3
221.04497	0.9
221.06664	15.8
222.07120	0.9
255.02950	1.1
271.02573	0.7
281.08255	0.8
284.03467	0.9
285.04108	3.3
300.02539	1.2
373.22296	1.8
415.17715	0.6
415.23340	11.3
416.23749	2.1
417.24826	9.0
418.25262	0.7
469.31454	0.5
542.47241	0.6
579.30212	100.0
580.30463	10.2
773.17303	0.7
937.21808	0.9
995.21960	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.283
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01411	0.4
95.61669	0.3
107.01411	1.3
108.02168	1.0
109.02940	0.6
121.02957	1.1
130.11745	0.4
135.00864	0.4
148.01717	0.4
151.00375	4.6
161.02432	0.4
163.00410	1.2
163.64252	0.3
169.01402	0.5
178.99850	3.1
202.32906	0.4
211.04181	0.4
215.03554	0.3
226.02676	1.0
227.03500	1.1
243.02977	4.3
244.03625	0.5
245.04573	0.7
251.11311	0.8
254.02274	0.9
255.03003	13.9
255.05659	0.8
256.03442	0.8
271.02475	29.8
272.03015	2.7
283.02521	1.1
299.01990	0.8
300.02756	62.3
301.03497	22.0
302.04001	0.7
325.21426	0.3
609.14606	100.0
610.14954	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	1005.252
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	6.2
72.99323	3.5
75.00874	78.4
98.22421	1.4
105.03452	2.2
108.02162	2.1
109.02962	4.5
111.08164	16.0
117.01954	4.2
118.99888	3.1
121.02959	4.2
122.03749	5.9
123.04525	25.3
133.02988	2.9
134.03745	4.0
135.04530	3.9
136.01653	10.3
137.02457	33.3
137.80424	1.4
138.02823	1.5
144.82317	1.4
145.01421	3.8
145.03006	2.5
146.03758	1.4
147.04541	3.8
148.05316	15.2
149.02486	1.9
149.06070	5.9
150.03249	1.8
151.00394	5.6
151.04004	78.0
152.04343	1.5
155.07162	13.3
158.03677	3.0
159.04520	10.4
160.01678	1.6
161.02463	3.6
161.06055	2.3
172.05336	5.2
173.06018	4.0
174.03194	3.6
174.06894	6.4
175.04042	2.7
175.07654	1.6
176.04797	10.2
177.09239	17.3
179.03589	2.4
183.04558	2.8
185.02435	1.5
185.06146	1.8
186.06776	1.3
187.04105	7.6
187.07645	46.4
188.04732	6.4
188.08104	2.3
189.05493	1.9
189.09216	3.0
191.03470	3.4
200.04753	5.9
201.05583	4.8
201.09267	3.5
202.06360	5.2
202.10019	8.3
203.10771	24.3
205.08681	33.1
211.04111	2.0
211.07658	2.5
213.05489	3.6
213.09212	13.5
214.06401	1.4
215.07132	12.5
216.07875	1.8
217.08698	5.2
227.03459	1.5
227.07066	2.5
228.04303	3.7
229.08723	15.6
231.06560	3.5
231.10254	90.8
232.10638	4.5
233.08194	3.6
239.07233	2.5
243.02995	5.9
243.10182	3.4
245.08154	2.2
249.11554	1.5
255.02942	14.5
257.08182	61.4
258.08466	3.6
271.02466	24.0
271.09659	7.3
272.02991	3.4
275.09225	33.8
276.09546	2.1
277.10672	1.8
279.03049	2.1
289.10825	29.3
293.10159	2.6
298.02899	1.7
300.02759	57.6
301.03412	24.0
302.03595	4.1
305.10083	1.7
307.11859	10.1
315.08752	3.9
321.09818	6.4
333.09793	41.6
334.10040	2.7
351.10883	39.1
352.11279	1.7
363.66226	1.4
395.09711	16.6
419.15729	1.5
609.14581	100.0
610.14935	22.0
611.15009	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	1005.3615
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	1.7
71.27836	0.3
73.02952	2.2
83.01382	1.3
89.02418	0.5
101.02445	3.1
107.01392	2.1
107.78264	0.3
108.02199	0.7
108.71352	0.3
109.02953	1.4
113.02444	1.1
121.02947	1.6
131.03479	0.3
135.00853	0.7
135.04568	0.4
142.53499	0.3
148.01700	0.8
149.02498	0.4
149.04555	0.8
151.00371	9.9
154.79073	0.3
157.06757	0.4
161.02451	0.5
161.04582	2.3
163.00429	2.4
164.01175	0.6
167.81151	0.3
169.01408	0.6
178.99870	4.7
183.04567	0.4
193.29184	0.3
199.04016	0.3
201.05553	0.7
203.03664	0.3
203.05864	0.5
211.03944	1.0
215.03575	0.3
221.06807	0.7
226.02588	0.5
227.03540	2.0
228.04265	0.4
229.05145	0.6
235.77696	0.3
239.03609	0.4
243.02977	4.3
244.03506	0.4
245.04414	1.8
254.02240	1.0
255.03000	15.0
256.03345	0.9
264.40820	0.3
266.01956	0.4
271.02478	28.8
272.02899	2.1
273.04071	0.7
283.02496	1.4
290.13043	0.3
299.01935	0.3
300.02759	58.1
301.03510	46.6
302.03900	2.3
310.92313	0.4
393.23749	0.4
441.90237	0.3
447.09332	100.0
448.09637	8.2
513.27380	0.7
663.54572	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1005.216
Annotation	Unknow
Peak:m/z	Relative Intensity
71.60234	0.4
72.99303	0.6
75.00880	27.4
84.24806	0.3
93.03460	4.2
99.00889	1.1
107.05053	0.5
109.02972	0.4
110.00048	0.3
115.00350	0.4
117.03481	16.6
118.03790	0.5
119.05042	9.1
119.05902	0.5
121.02951	1.3
123.04550	3.6
129.03488	0.6
130.04248	0.9
130.56226	0.3
131.05049	3.6
133.02948	4.6
133.06631	0.8
134.03731	0.5
135.04543	1.2
143.05013	0.3
145.02966	100.0
146.03319	3.2
147.04530	4.5
149.06050	0.4
158.03720	0.8
159.04578	1.5
161.02411	0.7
161.06078	0.4
163.04028	4.3
171.04567	0.8
173.06094	1.0
175.04025	6.0
176.04530	0.3
177.05585	5.9
185.06062	0.4
187.03896	0.5
189.05588	0.9
203.03514	23.9
204.03772	1.2
216.10522	0.3
217.04959	0.7
217.83336	0.3
221.04562	35.0
222.04849	1.6
222.06882	0.6
223.07646	7.3
224.08086	0.5
235.07570	0.3
237.03976	0.3
237.09279	1.0
247.07646	1.0
265.08658	1.5
277.08673	0.5
279.10263	1.2
281.08228	0.4
291.06635	1.0
293.07834	0.3
297.11203	0.4
305.08188	1.5
309.07687	5.2
310.08051	0.4
323.09250	5.0
324.09927	0.3
327.08618	0.4
341.10297	1.0
367.08261	2.0
381.09897	1.3
385.09232	1.1
443.09799	0.6
469.07755	8.5
470.07962	0.5
487.08774	0.7
531.07959	0.6
625.64526	0.3
928.97119	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03430	2.2
69.38774	8.2
69.39194	6.0
85.02924	1.6
89.03915	6.1
91.05473	4.4
97.02896	3.8
98.21198	7.4
98.97614	5.7
101.00900	6.1
107.04965	2.8
110.97610	1.8
113.00908	1.7
116.98623	2.6
117.03379	4.5
117.28429	1.8
119.01929	20.2
119.04974	6.8
127.02497	1.9
128.98624	2.4
131.01927	7.5
131.04868	3.8
135.04425	11.2
137.03038	2.3
143.01878	16.0
145.02715	2.7
145.03499	7.0
146.99727	1.8
147.04405	26.8
148.04721	3.0
149.06004	5.4
155.01915	11.0
157.03459	6.2
159.04434	2.2
161.02985	20.0
162.82393	1.8
163.03912	100.0
164.04237	4.0
167.01947	6.9
169.03529	4.6
170.99713	3.0
171.05034	2.8
173.02982	21.9
175.04514	2.5
179.01932	4.1
185.02971	39.5
186.03139	3.2
187.04535	5.3
189.00719	4.0
197.02983	17.3
201.00745	6.4
203.02171	2.3
203.04044	10.1
205.03439	3.4
207.05029	5.3
213.00941	2.1
215.04036	11.8
219.01761	4.7
221.02980	68.5
221.05103	4.1
223.04488	1.9
225.05981	2.3
227.04001	9.4
235.04590	4.1
237.02769	1.8
239.01851	8.4
239.04337	11.5
241.03473	5.6
243.01808	5.1
245.02927	9.6
245.05118	99.0
246.05264	3.9
247.04843	2.7
249.06087	3.0
253.05740	2.2
257.03131	7.4
257.05444	13.1
259.04535	10.0
261.02634	16.0
263.04019	23.0
263.06320	6.2
270.69110	1.6
271.04617	1.9
275.06174	10.0
277.05624	19.7
279.03690	16.9
281.05173	55.8
282.05350	2.0
295.06680	17.0
297.02811	5.6
299.06363	13.3
304.06638	2.6
305.07526	9.8
307.06525	5.3
311.06122	2.8
317.04831	4.2
319.06567	1.9
321.04910	3.5
335.08542	4.1
337.07599	4.4
339.05682	42.0
340.05862	2.6
347.05930	3.2
351.05579	2.7
357.06702	3.3
365.06882	28.9
366.07526	2.6
367.08603	3.9
369.06607	7.0
379.08521	2.6
381.06720	25.8
383.08090	6.3
399.07816	9.5
411.07758	3.0
423.07718	15.8
441.08826	51.7
442.09073	2.3
459.09409	2.2
493.05167	1.9
545.12012	7.5
603.13776	85.9
604.13837	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	976.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05030	1.5
69.03414	1.1
69.07072	3.8
70.96266	1.0
70.96597	1.5
71.04981	0.8
73.01129	1.1
74.00675	5.0
76.02233	11.8
76.04017	1.0
76.34658	0.8
79.05062	1.2
79.05502	24.4
80.05041	5.5
81.03426	9.3
81.07066	16.7
82.06564	1.0
83.04988	5.0
83.06099	5.6
83.08630	3.4
84.04511	14.8
85.01119	1.3
85.02920	2.5
85.04050	0.8
85.06533	1.0
86.00634	2.3
86.09692	1.4
86.99046	3.6
88.02216	1.3
91.04958	1.6
91.05491	20.9
93.07061	21.0
94.06590	1.5
95.04976	9.2
95.08615	8.7
96.04494	3.5
97.01125	27.8
97.02866	1.9
97.06563	2.5
97.10209	4.5
98.00627	1.9
98.09688	1.2
99.02705	1.0
99.05563	1.8
100.02235	0.8
102.05561	1.8
105.07040	13.7
106.06598	1.1
107.04967	7.0
107.06091	1.3
107.08614	6.8
108.04473	3.3
109.06525	1.9
109.07645	0.9
109.10164	2.3
110.06083	1.0
111.02663	2.7
111.04465	1.2
111.08118	1.3
112.02205	6.8
112.03978	1.1
113.00606	14.8
114.03767	13.0
115.05473	1.6
116.01691	14.4
116.10767	1.0
117.07043	4.4
118.06581	1.3
119.08609	9.6
121.06524	1.8
121.10144	2.3
122.05963	0.9
123.02641	3.2
123.08048	2.9
124.02187	3.1
125.00584	1.8
125.09664	4.5
126.03751	2.1
128.06230	2.0
129.06888	7.2
130.05017	7.2
130.06514	1.1
131.08598	2.6
133.06499	0.9
133.10138	4.7
135.02655	1.5
135.05556	1.9
135.08115	1.2
135.11739	2.2
136.02203	1.6
136.03947	7.8
137.00529	2.3
138.03734	2.9
139.02135	3.9
139.03281	2.9
140.01685	6.6
140.05299	0.8
141.04820	2.1
141.06862	1.1
142.03227	5.5
143.08588	3.9
144.01140	3.3
145.06172	1.1
145.10144	5.9
147.02670	3.1
147.08018	2.2
147.11697	9.0
149.09656	1.7
150.03792	1.4
151.02103	2.6
152.01682	2.2
152.05283	0.8
153.06628	2.8
153.09105	1.4
154.03278	1.1
155.08231	1.4
157.10181	1.0
160.11244	1.0
161.04173	0.8
161.09596	2.2
161.13264	2.6
162.02219	7.3
163.05728	1.5
163.11150	4.9
165.09154	1.2
167.08830	1.0
169.10165	1.5
170.02702	2.1
170.11801	1.6
171.05852	1.3
171.11702	7.3
173.09669	1.5
175.05768	0.8
176.07051	0.9
177.03381	1.2
177.07379	2.4
179.04930	5.2
180.04799	2.4
181.06087	4.8
182.56993	0.8
185.03824	10.1
187.05420	9.0
189.03387	0.9
189.11205	1.7
189.12770	3.0
191.10698	2.4
193.06133	1.8
193.12184	1.3
195.08412	3.8
199.07159	2.2
203.08896	1.7
204.13797	1.0
205.06821	2.4
207.13786	3.3
208.06149	1.4
209.11765	1.1
215.04909	2.4
220.11583	2.8
222.09459	2.6
223.07919	6.4
224.11273	1.4
227.12802	2.2
230.09901	1.1
231.04369	13.0
231.08360	1.9
233.05954	8.5
238.12567	5.5
239.04829	1.0
240.10475	2.9
241.08987	1.5
241.11220	1.9
242.12109	1.3
243.04321	0.9
245.05795	2.0
248.11064	11.3
248.13390	1.3
249.09587	4.6
261.62186	0.8
266.12131	38.4
267.10446	1.5
278.12073	1.2
281.17514	13.9
284.13150	12.0
291.06577	1.1
294.11578	6.3
308.09155	4.6
322.14713	1.2
323.14294	6.5
332.13022	1.7
340.15714	2.9
341.15335	10.7
350.14294	1.9
351.13745	3.0
351.17810	0.8
358.16611	1.7
369.14743	5.5
369.18900	1.0
377.15192	1.4
392.20425	1.0
395.16437	2.3
423.15665	1.0
425.17630	1.3
435.15527	1.0
443.18353	3.2
453.17422	0.9
461.19543	2.4
471.27454	1.7
510.29150	0.8
516.20123	2.8
546.28839	2.5
564.30072	7.1
590.24243	1.4
592.29279	1.5
608.24988	0.9
631.30402	2.4
649.31610	37.0
650.31781	1.3
667.32654	100.0
668.32349	3.7
685.33038	3.4
715.32361	1.3
721.33466	6.6
733.33923	1.2
739.34735	23.6
740.34784	1.2
760.34418	1.6
778.35883	9.5
796.36938	48.8
797.36194	3.5
814.37982	68.0
815.37878	2.7
829.36920	1.5
901.40503	1.1
958.42047	2.0
976.43286	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	973.5008
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03438	29.4
69.07059	29.8
70.19380	4.2
70.49321	3.9
71.05010	24.7
71.33253	8.4
73.02920	4.9
79.05494	28.0
81.03423	37.6
81.07065	100.0
83.08624	10.8
85.02433	5.9
85.02911	61.5
85.06551	6.3
87.00830	26.3
91.05493	24.7
92.22072	4.5
93.07047	63.5
95.04966	7.5
95.08601	66.8
97.02914	23.9
97.06535	10.5
97.10181	10.0
99.04487	6.3
99.08064	5.5
103.05453	5.2
105.01865	20.7
105.07035	54.9
107.04967	6.0
107.08607	79.1
109.02885	35.3
109.06540	7.3
109.10157	78.9
117.07008	9.8
119.03349	4.3
119.04938	7.6
119.08594	78.9
121.10135	51.5
123.11736	37.8
125.09630	8.1
127.03934	50.5
127.11212	69.3
129.06999	8.9
131.08566	16.4
133.10144	65.6
135.11700	91.7
137.09604	7.4
137.13284	8.5
143.08594	10.0
143.10667	18.1
145.05009	7.5
145.10104	39.2
147.04425	18.9
147.11708	56.3
149.13283	31.5
153.12764	7.6
155.08406	6.4
157.10144	20.3
159.02899	8.5
159.11728	38.5
161.13264	36.8
163.14827	12.6
169.10118	5.8
170.26466	4.6
171.11711	16.0
173.13271	22.8
175.14856	15.7
185.13255	11.0
187.14796	16.4
189.16399	18.3
191.18030	6.4
193.15834	9.7
199.14839	7.8
201.16414	13.7
203.17949	63.3
205.19478	11.8
211.14861	5.6
211.80122	4.5
213.04050	8.8
213.16348	9.4
215.17979	16.8
217.19542	5.3
219.17482	7.3
221.19017	71.3
231.04984	6.7
233.18930	11.1
241.19542	9.7
251.54620	4.6
255.21037	5.9
283.24249	9.1
287.05670	26.6
311.19986	6.9
337.28546	6.6
353.28546	5.3
355.29794	21.5
423.36261	40.8
441.37201	37.0
459.38379	6.6
671.41449	8.6
681.53613	5.6
689.42194	7.2
707.43604	6.1
823.75922	5.5
831.89746	5.7
944.74487	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	967.6149
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	47.2
69.03439	1.6
69.07075	59.2
71.01358	1.3
71.05000	2.3
71.08638	13.5
71.48813	1.9
73.06572	1.0
74.81218	1.2
75.04476	2.5
79.05051	2.3
79.05498	30.7
81.07063	68.2
83.04980	4.5
83.08625	47.8
85.06539	3.1
85.10191	6.9
91.05486	20.2
93.07051	37.1
94.28615	1.0
95.04972	3.8
95.08610	51.1
96.08956	1.0
97.06539	7.5
97.10181	30.0
99.00816	12.8
99.08103	3.0
101.05991	1.2
105.06213	1.0
105.07047	3.9
107.04967	19.4
107.08607	21.9
109.09438	2.2
109.10160	23.4
111.08091	9.7
111.11740	8.7
113.09607	1.2
115.07573	3.2
117.01834	1.5
119.04953	19.5
119.08565	1.4
120.05697	1.4
121.02878	2.6
121.10149	37.5
122.76108	1.1
123.11729	16.6
125.09663	6.3
125.13319	1.4
129.09103	3.5
131.08571	1.4
133.06494	2.3
133.10033	1.5
135.11703	31.3
137.13268	10.4
139.11226	5.2
139.12149	1.4
143.10689	2.2
145.06499	1.7
147.04416	3.1
147.08134	1.9
149.13260	18.7
151.14813	1.6
152.06146	1.2
153.12790	5.7
157.12277	3.1
163.14841	8.2
167.08560	2.0
167.14326	4.2
171.04495	1.2
171.13841	3.5
173.04527	6.0
177.07040	2.2
177.16393	4.1
181.15872	3.3
185.15378	3.0
191.08528	1.4
195.08102	2.2
195.17467	1.4
199.07561	7.5
199.16968	2.9
211.07664	2.2
212.08418	6.8
213.09113	20.4
219.08127	3.3
219.21091	38.3
220.21579	1.3
223.07542	2.4
235.20624	2.2
237.09114	5.7
237.22150	100.0
238.22433	2.0
247.07623	3.6
251.10641	1.2
255.23218	43.9
265.08566	4.9
293.07971	6.0
293.24670	2.2
296.25977	1.4
311.09485	1.2
311.25845	33.5
312.26254	1.8
314.35678	1.1
329.27081	14.6
355.26282	3.7
385.29401	2.3
409.25858	76.7
410.25970	1.4
427.26959	31.3
449.30350	5.2
473.43597	4.3
483.29276	2.8
491.44724	6.0
547.30652	2.6
565.47961	1.3
589.44202	2.2
609.45062	1.5
633.23401	1.2
639.34955	3.5
663.48199	9.2
681.48932	3.9
737.51337	3.4
755.52417	3.4
875.56317	8.3
893.56586	1.4
949.59698	1.5
967.57959	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	970.4853
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03433	6.6
69.07065	2.9
70.72224	2.2
71.05007	2.3
79.05489	1.7
81.03419	3.8
81.07063	3.9
83.04978	2.5
83.08620	3.3
85.02915	13.3
85.06533	5.1
87.00828	5.2
88.02531	0.8
91.05489	1.7
93.07050	7.8
95.04961	5.2
95.08620	10.1
97.02920	5.3
97.06550	1.5
99.04450	4.7
99.08099	48.6
101.06029	2.0
105.01870	5.9
105.07009	1.3
107.08603	7.1
109.02882	5.5
109.06530	0.8
109.10159	16.9
111.08131	1.7
111.11729	1.2
113.09673	1.0
117.07038	0.9
119.08585	3.2
121.10136	5.0
123.08100	1.2
123.11703	3.5
125.09612	1.6
127.03929	10.7
129.01770	1.0
133.10153	8.9
135.11696	12.4
137.08611	1.1
137.09610	7.8
145.05003	3.6
149.13268	1.3
151.14799	2.4
153.12726	3.6
155.10680	11.4
159.02890	4.3
165.16443	1.1
175.14833	6.0
193.15901	28.7
193.17659	1.4
211.16945	59.6
212.17291	1.0
228.10152	4.6
229.18015	1.0
231.05046	3.0
249.06136	1.4
305.10687	1.1
423.20370	1.5
441.21603	0.9
459.22272	100.0
460.22800	1.8
494.26199	1.0
896.25183	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.6145
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	44.7
69.03428	0.9
69.07071	55.2
69.24345	3.0
69.24751	0.9
70.07397	0.3
70.39616	0.3
71.01360	1.3
71.05003	3.5
71.08634	11.7
73.06556	0.8
75.04482	3.1
79.05496	27.0
80.05851	0.6
81.03458	0.4
81.07059	67.2
82.07400	0.7
83.04986	3.1
83.08623	45.9
84.08950	0.7
85.06554	3.2
85.10184	6.4
87.04479	0.6
91.05483	18.5
93.07048	32.5
95.04977	3.8
95.08609	50.4
96.08926	0.5
97.06541	10.1
97.07140	0.8
97.10172	32.7
99.00824	13.7
99.08100	2.7
99.11726	0.7
101.06034	1.6
101.09679	0.6
102.80911	0.4
105.04540	0.6
105.07026	2.5
107.04961	18.5
107.08601	22.2
109.06519	0.8
109.10161	20.8
111.08086	8.7
111.11723	8.0
113.06039	0.5
113.09667	1.6
115.05493	0.9
115.07545	2.2
115.11217	1.4
117.01836	1.8
117.07010	0.9
119.04951	17.2
119.08595	1.0
120.05736	1.4
121.02879	2.0
121.06546	1.0
121.10149	36.3
122.10469	0.5
123.08101	0.6
123.11711	15.9
125.09642	6.6
125.13277	3.0
127.11213	1.3
129.09105	2.8
131.04930	0.4
131.07031	1.0
131.08565	0.4
133.06535	1.0
133.10086	0.9
135.04353	0.4
135.08075	0.5
135.11699	29.7
136.12042	0.4
137.13271	10.1
139.11171	7.4
139.12157	0.4
139.14845	0.7
141.12744	0.9
143.10683	2.8
144.05717	0.7
145.06496	1.7
147.04401	2.7
147.08096	0.9
147.11696	0.6
149.09599	0.4
149.13266	17.6
151.14848	1.9
152.06271	0.7
153.12764	6.0
155.03381	0.7
155.14389	0.4
157.06462	0.9
157.12230	2.4
161.05998	0.5
161.09636	0.4
163.14821	9.0
165.07039	1.0
167.07277	0.4
167.08598	1.5
167.14328	4.5
171.04343	0.7
171.13858	3.8
171.17474	0.6
173.04454	6.3
173.05817	0.5
177.07030	0.7
177.16380	3.9
178.11932	0.4
181.06479	0.6
181.10144	0.4
181.15848	2.8
185.15433	3.4
187.03809	0.4
189.05554	0.7
191.08589	0.9
195.08087	2.2
195.17480	1.6
195.21147	0.8
197.06073	0.5
199.07518	6.0
199.16960	2.6
202.07930	0.4
209.09698	1.0
211.07468	1.7
212.08337	7.4
213.09108	20.4
213.18559	1.2
217.19566	0.9
218.07309	0.8
219.08092	2.2
219.21091	44.3
220.21451	1.0
223.05608	0.4
223.07549	1.6
225.09172	1.2
235.20581	1.8
237.09126	4.7
237.22139	100.0
238.22511	2.8
247.07567	3.0
250.74983	0.4
251.10703	1.3
255.23204	38.8
256.23553	1.0
261.22031	0.4
263.07074	0.7
265.08649	5.3
273.18591	0.5
275.07098	1.0
293.08035	3.7
293.24701	2.9
296.26007	0.6
311.09079	1.2
311.25815	33.5
312.26007	1.0
329.26947	17.3
335.22296	0.9
355.26355	1.4
385.29559	1.7
409.25861	72.9
410.26202	2.7
427.26947	28.7
428.27188	1.1
449.30551	5.3
473.43616	2.4
483.29440	4.0
491.44647	5.6
501.30460	0.7
529.29694	0.6
547.30731	2.4
547.47186	0.5
565.48157	1.5
583.49023	0.7
589.44354	1.8
609.06543	0.5
621.34253	1.5
639.35175	4.8
663.48450	6.5
681.49249	3.3
703.52118	0.5
737.52356	2.7
755.52985	2.3
783.52692	0.6
801.53076	0.6
805.52423	0.5
875.56592	4.6
893.57440	1.2
949.59827	1.4
967.58496	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	967.6136
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	46.1
69.03422	1.0
69.07067	63.6
70.07392	0.8
71.01347	1.7
71.04989	3.4
71.08631	14.3
73.06561	0.9
75.04482	3.6
77.03950	0.4
79.05492	27.5
81.07055	72.0
83.04977	3.4
83.08616	50.2
85.06539	3.9
85.10177	6.8
87.08086	0.5
87.10462	0.4
91.04893	0.5
91.05475	20.4
93.07043	36.2
95.04966	3.4
95.08604	51.7
96.08964	0.6
97.06527	13.4
97.10168	34.6
99.00816	16.7
99.08082	3.1
99.11716	1.0
101.06030	1.2
101.09667	0.7
105.04489	0.7
105.07052	2.3
107.04377	0.3
107.04949	14.2
107.08592	25.4
109.10153	22.8
111.07353	0.9
111.08084	8.9
111.11720	8.2
113.06035	0.7
113.09657	1.5
115.05457	0.5
115.07584	3.1
115.11201	1.2
117.01870	2.0
117.06992	0.9
119.04943	19.5
119.08589	1.1
120.05751	0.7
121.02892	2.0
121.06494	1.1
121.10141	40.1
123.08069	0.5
123.11705	16.6
125.09615	6.6
125.13222	2.4
127.11179	1.2
127.14800	0.5
129.09109	2.5
129.12781	0.5
131.04938	0.8
131.07027	1.2
131.08580	0.8
133.06512	0.8
133.10126	0.8
135.11691	31.2
136.12070	0.4
137.13248	10.7
139.11182	5.9
139.14821	0.7
141.12675	0.7
143.10670	2.8
144.05708	0.6
145.06494	1.3
145.10136	0.4
147.04388	4.2
147.08145	0.6
147.11671	0.6
149.06056	0.6
149.13251	16.6
151.14832	1.8
152.06224	0.8
153.12726	4.9
155.03397	1.3
156.72519	0.5
157.06490	0.6
157.12299	3.1
159.11711	0.6
159.25600	0.5
163.14824	10.3
165.07030	1.1
167.08582	1.5
167.14302	4.3
171.04440	0.7
171.13785	3.0
171.17473	0.9
173.04462	6.8
177.07008	1.2
177.16351	3.7
181.15884	2.8
183.08090	0.5
185.15355	3.7
191.08527	0.7
194.07269	0.7
195.08067	2.3
195.17458	1.0
195.21042	0.7
197.06010	0.7
199.07529	4.6
199.16896	2.7
209.09702	0.4
211.07573	1.2
212.08302	6.8
213.09102	17.8
213.18446	1.2
214.09572	0.6
217.19623	1.0
219.08066	1.6
219.21074	39.0
223.07524	2.0
230.23152	0.5
235.20497	1.3
237.09122	4.9
237.22124	100.0
238.22473	1.7
247.07443	2.6
251.10701	0.8
255.23187	45.2
256.23532	0.7
265.08557	4.5
283.15167	0.5
293.07870	3.1
293.24719	3.4
296.25916	0.6
311.09128	1.4
311.25787	38.1
312.26193	0.9
329.26868	18.7
329.30780	1.0
330.27109	0.5
335.21997	0.6
355.26263	1.2
367.11606	0.5
371.23978	0.5
385.29373	2.8
409.25833	92.8
410.26132	3.0
427.26889	32.1
428.27264	0.8
449.30588	2.6
450.80737	0.4
473.43237	2.3
483.29599	5.3
491.44458	3.6
497.03082	0.6
501.30212	1.4
547.30493	2.6
565.30365	0.5
565.47961	1.6
583.49011	0.5
589.44373	0.6
596.51404	0.5
608.11829	0.4
621.33893	1.3
639.35223	4.2
640.35663	0.5
663.48517	3.7
664.47992	0.5
681.49054	2.1
737.51868	3.6
755.52826	3.0
875.56189	2.6
893.56586	0.5
949.59113	1.4
967.61426	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	967.6146
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	48.2
69.03417	1.3
69.07072	58.1
70.07378	0.8
70.73327	0.6
71.01343	2.0
71.05005	3.3
71.05324	0.7
71.08633	11.8
73.06552	1.2
75.04453	2.7
77.03935	0.9
78.71772	0.7
79.05495	27.4
81.07061	71.2
83.04976	2.9
83.08625	50.0
85.06563	3.3
85.10185	5.5
91.05487	27.4
93.07050	36.2
94.04995	0.7
95.04959	4.6
95.08613	51.7
97.06536	11.7
97.10177	32.8
99.00824	12.9
99.08087	2.5
101.06003	2.0
101.09634	1.4
103.05418	0.9
105.04513	0.9
105.07036	2.0
107.04962	27.0
107.08598	22.8
109.09455	1.4
109.10163	22.9
110.27415	0.7
111.08091	8.8
111.11720	9.0
113.06024	0.7
113.09664	1.8
115.05427	1.1
115.07568	2.5
117.01843	1.7
119.04952	31.2
119.08601	1.8
120.05706	1.7
121.02833	2.8
121.06517	2.3
121.10146	39.1
123.11716	17.4
125.09637	5.9
125.13261	1.8
127.11172	2.2
129.09114	2.8
131.08525	1.1
133.06496	1.7
133.10118	1.4
135.08017	1.0
135.11697	34.3
137.13255	10.8
139.11180	6.6
139.14825	1.0
141.12711	0.9
143.10655	2.3
145.06558	1.8
147.04422	24.9
147.08095	1.1
149.13278	18.3
151.14818	2.1
153.12761	5.5
157.12241	2.1
159.08057	0.8
161.13214	0.9
163.11136	0.8
163.14821	9.8
165.07037	1.1
167.08543	1.5
167.14314	3.8
171.04370	1.3
171.13788	3.0
173.04475	4.3
177.06949	1.1
177.12863	0.8
177.16441	3.5
181.06534	0.8
181.15872	3.1
183.08017	1.0
185.15327	3.3
191.08710	1.0
195.08015	3.3
195.17477	1.2
199.07530	10.9
199.16893	1.6
209.09653	0.8
211.07556	1.1
212.08322	8.0
213.09117	30.5
213.18495	0.9
217.19495	1.7
219.08049	2.5
219.21089	41.9
220.21370	1.0
223.07631	1.9
225.09113	1.2
235.20468	3.5
237.09143	4.2
237.22141	100.0
238.22484	1.2
247.07698	3.0
251.10628	1.8
255.23201	36.7
256.23657	1.0
265.08588	3.5
267.82974	0.7
289.21423	0.7
293.08212	3.2
293.24774	3.2
295.56680	0.8
301.21570	0.8
311.09280	1.4
311.25818	27.2
312.26010	0.8
329.27100	11.0
355.26318	2.8
385.29810	1.5
409.25854	53.2
410.26086	1.5
427.26968	19.7
449.30539	8.4
455.42697	1.0
473.43820	5.6
475.30780	0.9
483.29785	4.2
491.44589	16.1
501.30923	1.0
547.30322	4.6
547.47168	0.8
565.48254	1.0
589.44525	2.9
621.34015	1.2
639.35260	4.7
663.48334	6.4
681.49719	4.1
737.51654	3.1
755.52618	2.6
801.52716	1.3
875.56610	8.6
893.57043	2.5
949.59375	1.9
967.59088	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	962.605
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04804	1.6
67.05199	4.1
67.05513	14.7
69.03432	3.9
69.07074	14.9
71.04996	1.8
71.08636	12.6
71.17899	0.8
73.02932	0.8
76.65260	0.6
79.05495	10.1
81.03423	2.1
81.07061	15.5
83.04995	2.1
83.08625	9.9
85.02903	2.6
85.10194	9.2
87.36668	0.7
89.06035	0.8
91.03977	1.7
91.05488	8.4
92.10976	0.6
93.07050	9.2
95.04980	4.4
95.08617	15.5
97.02898	6.5
97.06521	2.2
97.10183	8.3
99.04436	0.8
99.06743	0.7
105.07043	5.9
107.04960	3.0
107.08604	6.4
109.02861	1.1
109.06526	1.4
109.10183	6.8
111.04428	0.9
111.08071	1.4
115.05482	0.7
117.07027	2.8
119.08585	5.6
121.06483	1.6
121.10160	2.7
123.08091	1.0
123.11720	2.5
125.09650	4.5
129.07014	1.8
131.08583	3.0
133.06526	1.5
133.10143	2.7
134.07294	0.9
135.08049	1.5
135.11700	1.7
137.09628	1.0
143.08565	1.6
145.10124	3.6
147.08054	3.1
147.11691	1.5
149.13252	0.8
153.09116	0.7
157.10205	1.2
159.11696	1.8
159.46422	0.7
160.97614	0.7
161.09639	1.1
163.11166	1.4
169.12378	0.8
172.80402	0.7
174.95619	0.6
177.12755	0.9
189.11276	1.9
205.12250	1.2
211.13332	1.2
223.13292	11.8
227.12823	2.2
239.23705	1.7
245.19080	1.2
249.14941	0.9
257.24747	1.8
273.18542	7.0
291.19565	56.4
292.19873	1.3
313.27374	71.3
314.27750	1.2
347.22388	1.6
354.36884	0.7
365.23236	35.1
366.23611	1.0
505.38950	1.4
523.40277	3.4
545.41992	0.9
575.84039	0.8
585.45172	2.0
603.46228	100.0
604.46503	4.7
747.50940	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.6209
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	36.3
69.03437	5.8
69.07076	17.7
71.04967	2.7
71.08638	25.2
71.34644	1.4
73.02892	2.2
79.05499	22.1
81.02985	0.7
81.03419	8.7
81.07062	45.1
82.07352	0.7
83.04988	6.5
83.08625	15.0
85.02915	8.1
85.06500	2.2
85.10191	16.0
89.06003	2.0
90.52880	0.6
91.03962	4.3
91.05487	20.4
93.07050	25.1
95.04977	5.1
95.08613	29.5
97.02907	6.2
97.06546	7.1
97.10178	6.5
99.04437	1.9
99.08098	1.5
99.11724	0.7
99.20815	0.6
103.07545	1.3
105.06403	1.0
105.07046	14.9
107.04953	4.1
107.08601	16.2
109.02843	2.0
109.06497	1.9
109.09477	0.9
109.10163	14.7
111.08074	3.2
111.11692	0.9
115.05402	1.1
117.07031	7.8
119.08585	10.3
121.06462	2.5
121.10162	8.5
123.04436	0.8
123.08038	2.7
123.11727	6.6
125.09592	2.3
127.03916	3.6
128.06229	0.7
129.05440	1.0
129.06978	3.5
131.08554	9.7
133.06467	0.7
133.10139	10.8
135.08061	1.8
135.11713	8.4
137.09604	1.8
137.13184	0.7
141.06966	0.9
142.07825	0.7
143.08501	2.6
145.04947	1.9
145.06389	0.8
145.09206	0.7
145.10150	8.3
147.08057	0.8
147.11673	5.0
149.09604	4.6
149.13260	7.6
151.11174	0.7
151.14847	0.6
157.10153	2.7
159.11703	8.0
161.09595	0.8
161.13240	1.8
163.05992	1.5
163.11206	4.0
165.12827	0.7
165.16536	0.7
171.11681	1.9
173.04462	2.5
173.11929	0.8
173.13260	4.0
175.14807	0.7
177.12773	3.0
179.14362	0.8
183.11632	1.4
189.11259	0.8
195.13829	3.3
197.13385	1.1
201.12672	0.8
203.14351	0.9
217.15804	1.2
219.17436	1.4
227.12860	1.8
229.14374	2.5
239.12070	0.7
239.17868	1.4
239.23711	2.4
247.20537	1.4
253.14275	0.7
255.15866	3.9
257.19092	4.4
257.24701	1.8
269.17511	18.4
275.20090	16.1
275.23047	0.9
291.19550	1.8
293.21136	1.0
309.20627	1.7
313.27380	100.0
314.27737	3.0
321.24210	1.0
331.22726	1.9
339.18246	1.0
349.23727	15.4
357.49503	0.7
367.24884	2.9
369.29694	0.8
401.23154	0.7
413.21793	2.4
467.37375	3.1
483.36600	1.7
493.28033	0.8
493.38885	16.4
507.40485	84.6
508.40601	4.3
521.41956	1.8
547.43817	9.2
587.46716	28.3
588.46844	1.6
605.47754	9.4
629.47937	0.9
651.44720	1.7
749.51660	1.5
814.19049	0.9
929.32959	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.6307
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	91.5
69.03419	4.0
69.07072	31.5
69.23784	13.5
71.04983	3.2
71.08630	2.4
73.02920	6.1
73.05971	1.4
75.86092	1.4
77.70937	1.3
78.12634	1.3
79.05497	46.0
81.03410	1.9
81.07060	100.0
83.04976	3.6
83.08621	18.2
85.02425	1.7
85.02907	23.3
85.06594	1.9
85.10166	1.3
91.03964	16.2
91.04961	2.2
91.05479	29.7
93.07050	53.9
95.04988	5.1
95.08611	78.6
97.02901	15.7
97.06526	5.2
97.10175	9.4
99.04459	1.5
99.08087	3.1
105.04533	2.1
105.07038	24.7
107.08604	32.7
108.08784	1.2
109.06509	2.5
109.09462	2.0
109.10171	33.5
111.08087	4.4
111.11710	2.4
117.07049	6.5
119.08598	21.4
121.10139	28.6
123.08054	1.5
123.11713	14.6
125.09618	1.9
127.03911	6.8
131.08562	13.7
133.10152	17.8
135.11697	16.7
137.13239	5.6
139.11154	1.6
143.08606	1.9
145.05009	7.4
145.10143	11.0
147.11696	12.3
149.13255	13.5
151.11273	1.4
151.14870	2.0
157.10048	1.4
159.11684	9.6
161.13312	8.6
163.06013	10.8
163.14810	8.0
171.11746	2.0
173.13234	9.3
175.14880	6.8
177.16360	4.0
180.08585	1.3
184.35847	1.3
185.13200	1.7
187.14799	3.5
189.16452	2.0
201.16339	2.3
215.17867	1.4
229.41884	1.8
233.22626	2.5
241.19469	3.8
243.21124	8.9
245.22510	2.9
259.20609	6.2
261.22156	26.4
263.23697	4.5
275.10229	1.3
279.23184	1.6
300.88510	1.5
310.83936	1.4
317.24603	6.1
333.24234	6.7
335.25812	89.9
336.26218	1.9
337.27386	99.4
338.27588	1.4
339.29031	8.9
489.35208	1.6
503.37094	2.1
505.38663	1.5
517.38898	1.6
519.40234	1.5
523.45135	4.7
541.46423	2.0
597.48804	43.8
598.48645	1.9
615.49884	52.5
616.49799	3.5
623.89331	1.4
702.38092	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6154
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	64.0
69.03423	2.3
69.06718	0.9
69.07075	13.6
69.99823	2.7
70.39516	0.6
71.04996	2.2
73.02926	4.2
78.65913	0.6
79.05502	38.7
81.03421	1.3
81.07066	59.4
83.04992	1.5
83.08203	0.7
83.08631	7.7
85.02421	1.2
85.02911	17.3
85.06540	1.4
91.03972	11.2
91.05490	25.1
93.07056	48.1
95.04983	4.4
95.08617	49.8
96.04517	0.9
97.02900	8.7
97.06536	2.9
97.10181	3.0
98.20754	0.8
99.04449	1.0
99.08079	1.1
105.04528	1.1
105.07043	20.7
107.08606	25.8
109.06533	2.1
109.10166	21.3
111.08105	1.5
111.11734	1.4
113.09624	0.6
115.03941	0.7
115.05447	0.8
117.07024	7.9
119.08591	17.9
120.09058	0.6
121.10153	22.4
123.08091	1.3
123.11730	7.9
125.09583	1.5
127.03934	4.9
129.06999	2.4
131.08585	12.8
133.10146	13.8
135.11714	16.5
137.09637	0.8
137.13222	3.0
143.08574	2.9
145.04996	5.3
145.10139	11.6
147.11707	11.5
149.09575	1.0
149.13272	9.4
151.14809	0.6
155.08549	0.8
157.10121	2.4
159.11679	8.7
161.13268	9.1
163.06030	5.5
163.11166	1.4
163.14819	6.2
169.10156	0.6
171.11749	2.9
173.13300	7.7
175.14833	3.4
177.12804	0.8
177.16362	2.3
183.11702	0.8
185.13240	2.6
187.14874	3.9
189.16376	1.4
191.14305	1.0
191.17958	0.7
199.14861	1.6
201.16360	2.5
203.18030	0.8
215.18007	1.0
217.19525	0.8
231.21057	1.1
233.22774	0.9
241.19701	4.1
243.21178	6.8
245.22707	1.2
259.20593	8.9
261.22171	19.8
263.23740	2.3
268.73450	0.6
273.22272	0.8
277.21701	0.7
279.23117	0.7
299.23679	1.2
315.23196	1.0
317.24905	3.4
321.24158	0.8
325.25317	0.8
333.24310	8.2
335.25827	100.0
336.26248	2.0
337.27405	11.7
341.28415	0.9
349.27682	0.9
355.30054	0.7
503.36856	1.0
521.43933	3.3
529.38245	0.6
531.39862	0.7
539.44482	1.5
557.42664	0.7
582.16913	0.8
591.14929	0.7
595.38330	1.1
595.47253	16.3
596.47461	1.0
603.56604	0.6
613.48309	20.9
613.58301	1.2
614.48187	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.5992
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	69.0
69.07072	100.0
71.04996	4.4
71.08318	1.7
71.08636	16.4
73.06546	2.6
75.04474	6.3
79.05492	39.1
81.07061	99.7
83.04986	5.5
83.08621	73.6
85.06534	7.1
85.10187	8.3
86.06912	1.6
89.71916	1.8
91.05482	31.1
93.07047	54.1
95.04961	4.8
95.08614	77.1
97.06539	19.6
97.10170	46.1
99.00822	25.6
99.08080	3.7
101.06010	2.6
101.09638	2.3
105.07067	4.1
107.04953	19.3
107.08604	40.4
109.10161	37.5
111.08084	14.1
111.11723	13.3
113.09675	2.7
115.07552	1.9
115.11204	1.6
116.34539	1.7
117.01794	3.1
117.07027	2.1
119.04955	28.8
119.08590	2.5
121.02857	2.1
121.10154	61.3
121.11034	3.8
122.61628	1.7
123.11703	32.7
125.09628	9.8
125.13244	3.5
127.11216	2.2
129.09116	2.5
133.10181	2.2
135.11699	45.6
137.13249	9.0
139.11197	12.3
143.10632	2.3
147.04402	6.2
149.13261	29.7
151.14828	2.7
153.12761	7.3
155.03424	2.9
157.12212	3.2
163.14812	12.7
167.14267	7.7
171.04402	1.9
171.13795	5.9
173.04495	10.0
177.06947	2.5
177.16321	4.1
181.15865	3.1
185.15436	4.5
191.08421	2.4
195.08041	3.1
195.17389	2.0
199.07571	7.4
199.16957	3.2
205.19536	41.1
212.08325	9.6
213.09117	28.0
219.08046	2.9
219.21091	31.3
223.20578	70.7
237.09091	7.2
237.22136	71.1
241.21638	37.5
243.20854	1.8
247.07535	3.4
255.23186	36.8
265.08582	6.2
279.23282	2.0
293.08044	5.2
293.24695	4.4
297.24265	31.0
311.09149	3.8
311.25806	29.6
315.25247	14.6
329.26886	12.3
371.27823	2.6
395.24316	70.0
409.25861	68.4
409.29956	1.3
409.31396	1.7
410.26221	3.4
413.25400	26.1
427.27029	23.4
449.30795	2.6
459.41849	3.5
469.27872	3.8
477.43146	8.0
483.29364	2.1
551.46423	3.1
625.33820	4.8
639.35016	3.8
649.46631	6.8
667.47589	4.2
723.49823	4.9
741.51074	6.2
861.54364	4.0
953.54663	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	946.5885
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	42.6
69.03429	5.4
69.07072	9.6
71.04995	3.1
71.56942	1.1
73.06578	1.7
74.20588	1.1
77.82138	1.4
78.80648	1.3
79.05495	67.7
81.03423	21.7
81.07063	43.4
83.01329	4.1
83.04985	12.0
83.08620	9.0
85.02911	12.5
85.06043	1.2
85.06545	3.0
91.04897	1.6
91.05483	62.3
93.07046	81.0
95.04971	21.0
95.08615	24.5
97.02895	3.9
97.06532	6.7
97.10169	3.8
99.04446	4.2
105.04510	2.3
105.07034	40.5
107.04978	10.2
107.08599	23.3
109.02876	11.7
109.06536	8.9
109.10153	5.9
111.04448	3.2
111.08080	2.0
117.07017	13.0
119.08588	26.1
121.06497	5.1
121.10147	9.2
123.08086	7.1
125.09661	1.5
127.03927	36.1
128.06216	2.6
129.07014	17.9
130.07784	1.6
131.08595	7.7
133.10135	11.0
135.08054	1.8
135.11722	8.4
143.08559	10.4
145.04973	2.8
145.10117	20.0
147.04463	1.8
147.08035	3.0
147.11693	45.4
149.13248	2.1
155.08531	2.0
156.09259	1.4
157.08704	1.4
157.09988	1.5
159.11671	2.2
161.09628	6.0
161.13278	12.0
163.11209	9.9
171.11693	32.3
173.09679	3.1
173.13237	1.8
181.12349	1.5
189.12743	13.6
191.10669	1.5
207.13817	86.1
209.11694	2.3
211.93851	1.2
225.14793	8.4
227.13113	1.6
245.08066	1.6
259.42889	1.3
261.22092	1.8
265.14264	1.5
267.16119	1.7
281.17496	38.9
283.12344	2.5
283.15414	34.9
284.15768	1.8
323.95746	1.6
333.17126	6.6
335.25946	1.4
351.17987	28.7
369.19141	10.2
471.27563	6.9
489.28479	100.0
490.28839	2.6
541.38763	1.4
946.56439	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	944.6098
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	24.5
69.03436	1.1
69.07074	5.6
71.04996	1.1
73.06558	0.7
77.03955	0.6
79.05497	39.6
80.05814	0.3
81.03421	4.7
81.07061	25.5
83.04988	6.5
83.08620	3.6
85.02905	1.1
85.06530	1.8
87.04459	0.6
91.04897	0.7
91.05486	31.8
93.07050	41.2
95.04976	11.6
95.08611	14.3
97.02918	1.0
97.06545	2.4
97.10178	1.5
99.04449	0.5
99.08110	0.5
103.05466	0.7
105.04510	1.3
105.07037	24.3
107.04966	3.2
107.08601	11.7
109.06536	3.5
109.10160	2.9
111.04443	0.5
111.08086	0.9
115.05457	0.7
117.07016	4.3
119.08591	15.4
121.06538	1.7
121.10154	3.9
123.08068	3.5
123.11713	0.3
127.03919	0.7
127.07571	0.7
128.06213	1.9
129.07008	11.1
130.07811	0.5
131.08583	3.2
133.06491	0.6
133.10143	6.3
135.08051	0.8
135.11696	1.7
137.09616	0.6
142.07825	0.6
143.08569	5.5
145.06386	0.3
145.10124	7.0
145.11288	0.4
147.08099	1.8
147.11697	20.8
149.13365	0.7
155.08511	0.4
156.09367	0.8
157.10139	0.3
159.11732	1.1
161.09642	2.8
161.13263	6.2
163.11153	1.0
165.09087	0.3
169.10120	0.6
171.11707	14.8
173.13324	0.6
179.14290	1.0
189.12773	7.4
190.13152	0.5
207.13823	20.0
225.14880	2.6
241.16081	0.3
243.21080	0.4
257.18832	0.3
261.22147	0.8
263.16516	1.4
279.15897	0.5
281.17496	46.0
282.17825	0.8
313.27530	0.3
351.18094	0.7
387.25296	0.6
405.26523	0.3
413.27295	0.4
423.27524	0.9
469.29489	2.4
487.30582	100.0
488.31015	2.9
541.38690	0.6
602.47150	0.4
678.83392	0.3
803.19574	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	940.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	8.6
69.07067	1.6
70.12230	3.7
70.93952	1.0
71.04981	0.9
71.46320	0.9
73.02893	1.0
78.17138	0.8
79.05488	10.1
81.03402	2.7
81.07080	6.1
83.04969	1.8
83.08614	1.3
85.02906	3.8
85.03997	1.4
91.03969	1.1
91.05483	9.0
93.07058	7.8
95.01313	1.1
95.04966	3.8
95.08601	5.7
97.01108	2.6
97.02872	1.7
99.05553	1.5
103.05451	0.9
105.07034	6.5
107.04934	4.5
107.08607	3.2
109.10114	1.4
111.08025	1.1
115.05477	1.6
117.07008	3.5
118.06511	1.2
119.08590	3.0
120.04475	1.0
120.08140	1.6
121.06516	0.9
121.10123	1.2
129.07043	1.9
130.06511	1.2
131.08536	3.7
133.05254	1.6
133.10072	1.9
134.06036	2.2
135.11642	1.6
143.08525	1.4
145.10121	1.5
146.06012	33.4
147.06866	2.2
147.11674	1.3
148.07520	1.2
150.03729	1.6
159.06798	1.2
159.11678	2.4
160.07645	1.6
161.13258	1.2
164.07050	2.6
166.03210	3.4
169.10123	1.0
171.11708	1.6
177.03458	1.1
177.12762	4.0
178.03242	11.3
180.04871	2.3
180.06544	1.0
187.11259	1.3
188.10757	1.8
189.12836	1.4
190.03233	2.1
191.08679	1.0
192.04898	1.5
192.06540	16.6
196.04272	10.9
204.04811	1.5
206.08218	2.3
212.03741	3.8
216.13890	1.6
218.06229	1.1
218.08148	2.7
224.03766	45.7
225.04237	2.4
229.14687	2.2
230.02635	1.2
230.15408	3.7
232.09630	2.1
236.03706	2.3
238.05356	2.1
248.03760	4.1
248.11101	1.3
250.05272	1.9
257.14194	2.3
258.14874	5.5
260.11032	2.7
261.04590	1.2
262.05399	1.6
262.12521	3.2
275.15198	34.7
276.03387	1.5
276.10663	2.0
276.15970	15.1
278.08447	1.3
281.17493	3.2
285.13510	1.7
288.10455	1.2
290.12094	14.4
304.15424	4.8
306.11572	14.8
308.13165	61.5
314.12085	2.5
318.11502	2.1
322.16422	2.3
332.13187	5.3
334.11154	1.2
336.12637	47.1
342.11630	2.7
346.14786	1.1
352.12158	17.7
354.13641	4.7
359.14188	3.3
360.12564	10.8
374.14252	12.0
377.15353	3.2
378.13797	1.5
378.19092	1.9
388.12149	5.5
390.13376	1.2
392.15149	5.8
400.83783	1.0
405.14868	1.4
410.16278	3.7
411.15628	1.1
428.17575	8.2
434.16547	2.7
452.17093	2.0
462.16531	2.3
480.17715	1.8
494.23495	2.6
512.24542	2.2
522.22760	2.8
540.23950	4.0
554.22021	1.6
555.19775	1.7
558.24951	2.1
570.85522	1.1
572.22406	1.8
598.28442	2.6
604.29254	1.8
614.27850	8.3
616.29346	17.5
632.28943	10.4
657.31946	2.5
658.30103	1.9
742.33374	1.8
743.31439	3.7
760.34735	100.0
761.34039	15.5
778.35815	29.4
779.35150	1.8
820.36646	4.6
911.34814	1.1
922.39990	29.9
923.39368	3.1
940.40802	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	934.6458
Annotation	Unknow
Peak:m/z	Relative Intensity
66.73038	0.6
67.05508	24.1
69.03410	1.1
69.06717	1.1
69.07069	12.6
71.08632	12.2
71.48256	0.8
71.48612	0.7
73.02905	2.0
79.05487	6.1
81.07061	24.0
83.08627	8.3
85.02904	10.1
85.10186	8.9
89.06037	0.9
89.51537	0.7
91.03970	6.4
91.05482	3.7
93.07045	5.6
95.08604	26.4
95.48598	0.6
97.02909	7.2
97.06541	1.3
97.10167	4.2
99.08067	0.9
105.07021	3.3
107.04987	0.7
107.08571	3.8
109.10152	11.0
111.08131	1.0
111.11711	1.2
115.03895	0.9
119.08563	2.0
121.10130	4.4
123.11700	3.8
127.03946	2.4
133.10126	1.6
135.11751	1.7
135.91379	0.7
137.13240	1.7
145.04961	4.3
147.11674	1.8
149.13254	0.9
151.14780	1.1
155.10779	0.7
161.13213	1.4
163.06065	4.2
163.14828	0.9
175.14845	1.0
179.17996	1.0
239.23653	2.4
245.22725	3.3
257.24802	1.3
263.23755	5.1
279.07773	0.7
313.27365	100.0
314.27713	2.3
319.26147	0.9
337.27368	56.4
338.27649	1.9
473.35944	0.8
575.50348	53.3
576.50549	2.3
593.51044	1.2
596.58057	0.8
690.53497	0.8
726.09613	0.8
917.87280	0.8
934.55957	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	918.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	2.1
67.05510	41.8
69.03424	4.6
69.07072	8.1
71.56718	2.5
73.02907	3.5
79.05502	33.9
81.03435	5.2
81.07060	45.3
83.04976	3.6
83.08616	10.4
85.02918	10.2
86.09721	2.1
91.03963	7.2
91.05492	28.3
93.07051	40.7
95.04972	4.8
95.08613	31.3
97.02904	10.3
97.06535	2.9
97.10172	3.7
99.00819	14.8
105.07041	19.9
106.19458	2.0
107.04976	5.0
107.08597	24.9
109.02885	8.4
109.06499	2.5
109.10168	14.5
111.08106	4.3
117.07023	7.0
119.08581	17.3
121.06504	5.0
121.10155	15.6
123.08080	3.0
123.11722	6.5
125.09615	2.4
127.03941	6.2
129.07008	2.4
131.08569	9.0
133.10143	37.4
135.11717	13.5
139.07541	2.3
143.08583	4.1
145.04956	4.1
145.10139	4.4
147.04474	2.9
147.11705	5.5
149.13261	5.7
151.11227	11.6
159.11659	3.2
161.09641	16.4
161.13255	3.7
163.06093	2.3
171.08067	3.3
173.13318	5.0
175.14725	2.1
179.10654	9.8
189.09132	6.9
197.11595	2.7
207.10202	3.4
209.11699	1.9
220.20949	1.8
225.11206	11.4
243.12312	2.8
243.21124	5.1
261.22144	19.7
277.21902	2.8
299.14905	85.7
300.15179	3.3
315.23282	4.2
317.24796	4.3
335.25824	100.0
336.26321	2.7
467.31479	5.0
485.32419	3.1
496.38272	1.9
513.35608	4.5
531.36780	2.4
541.35291	11.5
559.36407	60.5
577.37042	2.1
599.39417	2.0
627.06305	1.9
867.16290	2.1
882.14496	2.4
918.50116	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	930.6154
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	2.2
67.05508	55.3
69.03430	2.8
69.07074	33.3
71.04970	2.8
71.08632	4.1
73.02914	3.7
79.05497	35.1
81.07063	57.0
83.05046	1.7
83.08623	20.4
85.02908	19.4
85.06548	3.7
91.03969	10.8
91.05488	14.0
93.07050	38.9
95.04974	4.4
95.08045	3.6
95.08616	50.1
97.02900	11.0
97.06513	4.5
97.10175	9.1
102.68006	1.8
105.07037	13.2
107.08586	22.3
109.10165	19.6
111.08070	4.1
111.11733	2.7
113.09682	2.4
117.07021	3.3
119.08612	9.0
121.10152	31.5
123.11749	9.7
127.03922	4.2
131.08575	9.8
133.10139	8.0
135.11726	16.7
137.13283	4.4
139.11203	3.1
145.04990	8.2
145.10124	4.5
147.11676	5.4
149.13280	10.2
153.12697	1.8
159.11717	5.8
161.13263	3.8
163.06053	8.5
163.14844	5.0
173.13290	3.5
187.14856	1.9
196.88605	1.7
201.16402	1.8
219.21107	2.9
227.31807	1.8
233.22736	2.2
237.22182	3.5
243.21118	7.4
261.22171	26.6
266.03534	2.1
309.24191	4.3
311.25812	100.0
312.26089	3.4
317.24789	4.0
335.25824	84.3
337.27475	7.4
434.86230	2.5
439.57260	2.2
470.81863	2.2
571.47296	49.0
571.62402	1.9
572.47394	3.7
589.48218	23.4
936.48126	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	932.6308
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	1.3
67.05508	36.2
69.03419	2.0
69.06722	0.9
69.07072	12.0
69.25667	1.5
69.26099	2.9
69.49644	0.5
71.04983	1.2
71.08634	21.9
73.02917	4.4
75.04472	0.6
79.05495	20.3
81.03403	1.4
81.07061	44.1
83.04980	1.0
83.08626	10.7
85.02906	16.7
85.06533	1.7
85.10184	12.7
85.10693	0.3
89.06027	1.5
91.03959	9.5
91.04967	0.7
91.05487	9.9
93.07050	25.2
95.04973	2.3
95.08611	40.8
96.04482	0.6
97.02898	8.7
97.06516	1.4
97.10163	5.9
99.04478	0.9
99.08086	1.4
103.07581	1.0
105.07030	8.4
105.08176	0.4
107.08601	14.0
109.10165	20.0
109.10921	1.0
111.08095	1.2
111.11691	1.1
112.26317	0.4
115.03924	1.1
117.07017	3.7
119.08588	8.0
120.60194	0.4
121.09312	0.8
121.10150	12.8
123.10857	0.4
123.11709	6.9
125.09636	0.6
127.03922	4.7
129.06940	0.4
131.08562	5.5
133.10130	6.7
135.08110	0.4
135.09103	0.5
135.11699	8.8
137.13231	2.4
142.67136	0.4
144.06554	0.6
145.04958	5.1
145.10143	5.1
147.11708	4.2
149.13274	6.6
151.11240	0.5
151.14902	0.8
157.10136	0.5
159.11690	3.6
161.13255	4.3
163.06003	6.3
163.14825	3.5
165.12794	0.4
165.16360	0.5
171.11650	0.7
173.13287	5.1
175.14841	2.0
177.16412	1.0
179.14339	0.5
180.08665	0.6
187.14850	2.8
201.16371	0.7
221.22621	0.6
233.22586	1.0
234.93471	0.5
239.23685	3.2
243.21126	7.3
257.24777	2.3
261.22156	25.1
262.22342	0.5
291.23367	0.6
299.23615	0.8
313.27377	100.0
314.27716	2.1
317.24802	5.1
327.07346	0.5
335.25812	67.5
336.26190	1.3
359.56482	0.5
421.67471	0.5
456.30493	0.5
499.44962	1.4
573.48779	36.6
574.49121	1.0
591.49890	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	917.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24742	3.3
69.25149	1.0
91.05485	2.9
94.06557	0.8
105.06994	1.2
107.04898	0.4
119.04945	4.7
121.06483	1.6
122.06034	0.7
122.09642	0.6
124.07555	0.4
133.06506	6.2
147.04414	15.4
148.04735	0.5
150.05461	1.1
161.05939	1.5
178.05035	0.6
179.06999	1.8
183.99150	0.5
185.10661	0.9
186.11499	0.6
199.12318	4.7
200.13100	3.5
218.10516	1.9
218.40492	0.4
219.11269	1.1
225.10286	1.0
236.35054	0.6
241.13354	9.3
243.11284	2.9
244.12109	0.9
245.12779	0.8
258.13660	5.5
259.14432	77.3
260.14838	2.3
264.15189	0.6
271.10800	0.8
278.13071	1.0
279.56790	0.5
285.12329	2.4
289.11783	0.9
292.14398	1.8
292.17892	1.0
293.18826	1.5
296.13974	0.9
304.14340	0.6
306.15979	1.0
307.16693	0.9
307.20007	0.5
310.15445	1.6
320.17575	3.3
321.18378	3.5
322.15451	2.2
322.19263	1.2
323.16309	1.3
324.17123	3.3
334.15585	0.6
334.19250	1.1
336.13370	2.5
336.16571	2.6
337.17993	0.7
338.18744	1.7
347.16333	0.6
350.15033	8.0
351.15738	4.7
352.16504	1.2
352.20215	13.1
352.24588	0.7
353.20737	0.8
354.14355	0.8
354.18164	1.5
362.18713	3.7
364.16589	3.5
364.20096	0.7
365.17441	7.6
366.18109	3.1
366.21927	1.1
367.18860	1.0
378.18225	1.2
380.19687	83.3
381.20084	3.8
382.21292	39.1
383.21747	0.8
384.15475	2.7
393.16959	1.9
396.19354	2.8
397.16074	1.0
398.16302	2.3
398.21384	0.9
406.17673	1.2
408.19177	1.9
410.20825	11.3
411.17859	1.1
412.22324	1.7
413.19159	0.7
425.19522	5.8
426.20242	91.5
427.16492	1.1
427.20712	2.4
428.18262	2.1
436.18967	0.8
438.20145	1.0
441.18790	2.2
452.18198	0.5
456.21344	5.4
457.21222	0.5
511.17456	0.6
549.49054	0.5
590.24988	1.7
602.24231	0.6
604.26538	17.6
605.26611	0.9
620.26160	0.6
621.25494	0.8
630.24298	0.6
634.27612	44.7
635.27838	2.3
648.25525	37.3
649.25891	1.5
651.26617	2.0
660.25336	0.9
674.23700	1.4
678.26575	100.0
679.27063	5.3
692.24335	1.6
704.24365	3.2
722.25476	16.9
723.25470	0.8
744.55060	0.6
748.24005	0.5
799.31311	2.6
800.31860	0.5
829.32904	8.1
829.47589	0.3
843.30933	5.8
844.30457	0.6
873.15454	0.8
873.31799	12.7
874.31586	0.8
917.30426	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.308
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	0.5
70.96989	0.9
79.05504	0.6
91.05466	1.5
94.06561	0.8
105.06991	1.9
107.04953	0.9
119.04959	4.7
121.06534	2.6
122.06020	0.6
124.07578	0.5
126.24355	0.5
129.11682	0.4
133.06500	10.2
147.04428	10.4
150.05536	1.1
161.05962	2.3
170.12837	0.4
178.04964	0.6
179.07057	3.5
185.10614	0.5
186.11566	0.6
199.12323	3.6
200.13094	2.9
211.12100	0.4
218.10493	1.2
219.11298	0.8
226.10930	0.7
241.13376	7.8
243.11345	3.7
244.12215	1.2
245.12807	0.9
258.13669	3.0
259.14441	66.7
260.14767	1.5
264.15076	0.5
278.13025	0.6
278.16638	0.8
279.17133	1.1
284.13879	1.2
285.12238	0.9
287.05557	1.2
292.14484	2.0
292.18069	1.6
293.19022	2.2
296.13898	0.6
303.04996	0.7
306.16058	1.7
307.16702	1.4
308.13956	1.2
310.15356	0.6
320.17596	4.4
321.18359	4.2
322.15494	2.8
322.19174	1.1
323.16354	0.8
324.16928	0.5
332.13959	0.5
334.15436	0.8
334.19144	1.7
336.13449	2.8
336.17184	2.3
337.18100	0.7
338.18445	0.9
348.17059	0.6
350.14969	8.3
350.18719	0.7
351.15695	3.6
352.16696	0.8
352.20230	14.0
354.18140	0.8
354.21747	0.6
361.02420	1.7
362.18658	4.3
364.16577	4.6
364.20316	1.1
365.17377	8.5
366.18045	4.4
366.22025	0.7
367.18845	0.6
378.18079	1.6
379.18762	0.8
380.19714	82.5
381.20041	3.7
382.21268	30.3
383.21750	0.7
387.05417	0.6
393.16861	3.0
395.14734	0.5
398.20956	1.7
406.17618	0.9
408.19061	1.0
409.16220	0.8
410.20926	2.3
411.17822	1.3
424.18701	0.9
425.19485	9.4
426.20251	100.0
427.20618	3.3
452.17804	0.8
456.21283	1.0
468.08286	0.7
590.24677	2.3
604.26587	28.4
605.26886	1.0
621.25452	1.3
634.27618	54.6
635.27496	2.7
648.25562	23.6
649.25708	1.2
660.25183	0.5
678.26593	71.7
679.27277	3.2
692.24408	2.4
704.24347	0.5
722.25574	15.7
723.26367	1.0
799.31989	4.2
829.32947	9.1
843.30951	3.1
873.31891	7.9
887.29651	0.7
917.31146	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	916.5782
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03954	6.9
67.05512	79.9
69.03435	19.4
69.07088	22.0
71.04985	6.3
71.56812	5.9
76.56089	2.7
79.05499	100.0
79.05968	6.5
81.03423	27.2
81.07070	80.1
83.05007	9.6
83.08631	32.3
85.02897	4.0
85.06525	3.5
91.05486	74.9
93.07053	77.5
95.04971	19.2
95.08618	43.2
97.02833	3.7
97.06528	8.6
97.10181	60.7
99.04480	4.1
103.05491	16.5
105.04561	5.2
105.07047	51.4
107.04962	9.2
107.08604	45.6
109.02893	12.7
109.06511	5.0
109.10155	18.7
111.04443	3.3
111.08127	4.2
115.05481	13.6
116.06316	3.0
117.07037	62.5
119.08588	29.3
121.06505	7.4
121.10157	21.4
123.08074	6.4
125.09628	43.2
127.03954	32.4
128.06227	11.2
128.78377	3.4
129.06996	35.2
131.04939	4.5
131.08588	42.4
133.06517	11.4
133.10165	15.6
135.08084	11.3
135.11731	11.2
141.06996	11.1
143.08556	25.3
145.06441	17.7
145.10117	20.6
147.08112	4.8
147.11699	15.0
149.09651	10.9
149.13284	4.6
153.07021	4.1
153.09164	8.2
155.08556	21.9
157.06517	9.4
157.10181	11.0
159.08070	8.6
159.11737	8.4
161.13261	4.9
163.11258	3.4
165.07008	5.6
167.08553	7.8
168.09427	3.4
169.08870	2.9
169.10167	14.3
171.08011	7.2
171.10338	4.6
171.11647	18.9
173.09790	3.7
178.07774	3.7
179.08635	3.5
181.10132	8.2
183.08157	6.6
183.11684	7.0
185.09712	4.5
185.13249	8.7
187.14879	13.8
189.11264	29.5
189.12764	6.4
193.10170	5.3
195.11780	7.3
197.09535	4.5
197.13315	16.9
199.11211	4.2
207.11748	5.3
207.13838	10.0
209.13254	4.1
213.11136	4.9
215.14323	60.3
219.11632	4.4
221.13206	4.2
227.12648	22.7
233.13200	3.5
237.12857	3.1
253.16142	4.2
261.22195	6.4
271.17017	5.0
281.17551	17.7
289.17905	5.4
297.13254	5.3
305.15454	5.6
315.14328	7.0
321.22296	4.1
323.16367	8.5
331.20609	4.0
335.25800	57.2
339.23148	4.2
349.21603	11.2
367.22672	27.9
385.23886	19.0
403.24747	5.6
441.26297	48.6
441.58640	4.2
459.27527	73.3
477.28415	8.0
487.30576	41.3
511.26767	4.4
529.27979	6.4
549.39526	6.1
567.29700	7.4
567.39783	6.8
585.30334	8.8
603.31555	7.5
621.32336	4.5
649.38892	4.7
657.41162	5.5
719.48633	14.2
737.49719	7.6
820.97858	3.8
827.50385	8.1
845.51129	8.8
863.52679	30.4
881.54089	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.4903
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	81.9
68.99812	12.1
69.03441	9.0
69.07067	25.4
71.56236	5.8
71.56627	8.6
74.91056	6.2
79.05493	66.2
81.03432	17.2
81.07065	93.2
83.01337	7.1
83.08620	30.7
85.02897	9.4
91.05492	50.6
93.07058	62.5
95.01325	16.7
95.04977	19.6
95.08612	60.7
97.06513	9.6
97.10182	19.6
105.07045	32.1
107.05006	6.4
107.08601	39.9
108.03225	6.6
109.10146	32.2
110.78962	6.9
111.08086	8.9
117.07037	16.2
119.04967	7.6
119.08585	24.6
121.10188	17.4
123.04491	7.6
123.11732	11.7
125.09659	20.0
129.07037	18.3
131.04973	8.5
131.08578	24.7
133.06494	8.5
133.10156	20.5
135.04419	23.4
135.07996	7.6
135.11691	11.7
137.05899	6.2
139.03877	8.0
143.08575	15.4
145.10161	19.5
147.11725	15.4
151.03932	36.7
155.08578	8.0
157.10143	13.2
159.04422	9.1
159.11609	14.0
161.06003	10.1
163.03915	91.8
164.04282	19.4
167.08418	8.1
169.10178	6.3
171.11707	6.2
175.11143	7.2
177.05481	10.6
179.03433	9.0
183.11795	5.8
187.03915	9.9
187.11255	8.0
189.05522	13.1
189.11226	12.2
191.03438	9.0
199.03914	33.8
201.05508	12.9
205.04936	12.5
207.11655	8.2
213.09184	8.7
220.63135	6.4
221.04588	9.1
247.06073	47.2
248.06348	17.9
251.05424	8.2
259.06085	12.9
261.22049	8.5
267.10123	9.7
277.18085	10.3
278.18076	9.2
285.11307	9.3
289.10635	14.9
303.12289	11.3
321.13251	14.1
331.11627	10.2
335.25793	68.6
349.12735	17.6
375.14267	9.1
423.16455	100.0
441.17703	20.3
485.32404	20.2
486.32977	27.9
504.34125	10.6
513.24738	11.0
514.25183	16.6
559.35828	18.7
560.36646	40.3
609.34167	9.0
634.40546	7.9
635.35590	16.6
647.36023	8.2
665.36432	20.4
683.37866	74.6
701.38959	96.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02370	0.5
68.99788	0.6
69.03428	0.9
69.85278	0.6
69.85687	0.4
73.45885	0.2
77.02064	0.2
79.05489	0.7
81.02973	0.3
81.03421	3.7
85.02919	1.1
89.03919	7.2
91.05488	0.4
93.03427	0.2
95.04961	0.7
97.02892	0.6
99.04468	0.4
107.04964	2.2
107.96120	0.2
109.02872	1.4
111.00807	0.8
117.03384	7.7
119.04951	0.5
121.02858	0.9
123.04412	0.5
127.03898	0.8
130.11798	0.2
131.04930	0.3
135.04424	17.3
137.02359	3.1
145.02855	11.4
145.03793	0.2
147.04424	1.0
149.02356	0.6
153.01820	3.8
153.02974	0.3
163.03912	85.7
164.04254	1.5
165.01842	2.1
166.02603	0.4
173.05966	0.5
177.05513	0.3
181.04958	0.6
181.34807	0.2
183.02924	0.7
183.04416	0.4
187.03998	0.3
191.03427	0.3
191.07184	0.3
201.05486	1.7
229.02769	0.2
229.04955	4.2
231.06546	0.5
247.06021	0.7
251.07016	0.4
257.04504	2.0
265.03369	0.2
274.04776	0.8
279.06686	0.3
285.03900	1.1
297.07602	0.4
303.05002	100.0
304.05319	2.9
307.08170	4.1
319.04559	1.7
325.09372	3.4
345.05905	0.6
395.30157	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02374	0.6
65.03932	0.3
67.01807	0.1
68.99790	0.6
69.03433	1.4
70.82407	0.2
70.82733	0.3
71.01321	0.2
71.04993	0.3
73.02911	0.5
79.05492	1.1
81.03416	3.7
85.02912	1.5
89.03917	6.3
93.03416	0.2
95.04949	0.6
97.02893	0.5
99.00814	1.3
99.04480	0.3
107.04958	2.2
109.02884	1.6
111.00781	0.8
117.03381	7.6
121.02873	1.0
121.33801	0.2
123.04430	0.8
127.03896	0.8
135.04419	17.7
136.04787	0.4
137.02347	3.2
145.02849	10.8
145.06532	0.3
146.03229	0.2
147.04425	0.3
149.02336	0.4
153.01820	3.1
155.04932	0.2
161.05991	0.4
163.03906	79.6
164.04248	1.3
165.01845	2.1
166.02585	0.3
173.05984	0.5
177.05511	0.3
179.03470	0.2
181.04962	0.3
181.06511	0.2
183.02994	0.9
183.04393	0.3
186.05499	0.2
187.03897	0.7
192.97401	0.1
193.06601	0.2
201.05518	2.0
205.06531	0.4
206.29164	0.2
213.05469	0.2
215.03459	0.2
219.06606	0.3
223.07544	0.5
228.04106	0.2
229.04973	4.1
231.06509	0.4
233.06070	0.3
237.02191	0.2
245.08060	0.6
247.06062	0.7
251.07018	0.7
257.04440	2.5
261.05576	0.2
265.03406	0.4
265.09018	0.2
267.06323	0.2
269.08072	0.5
274.04663	0.7
279.06647	1.7
281.08429	0.3
283.09924	0.7
284.89893	0.2
285.03983	1.1
297.00317	0.2
297.07538	1.9
299.09305	0.4
301.10901	0.5
302.04388	0.2
303.04993	100.0
304.05319	3.1
307.08252	3.0
319.04437	0.4
325.06207	0.3
325.09756	2.0
345.05304	0.7
445.15048	0.9
487.16116	0.2
550.71222	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.4661
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	3.4
69.03442	3.6
69.07082	1.1
71.56774	0.7
73.02914	4.2
79.05500	3.0
80.02353	0.5
81.03439	2.7
81.07062	3.1
83.05005	0.7
83.08641	0.6
83.61374	0.4
85.02909	6.7
91.03972	3.4
91.05499	2.2
92.67315	0.5
93.07088	2.5
95.05001	0.7
95.08630	3.0
97.02906	6.4
99.04446	1.3
101.02363	1.3
105.07047	1.3
107.08620	1.9
109.02858	1.0
109.10172	1.1
117.07037	0.8
117.33507	0.4
119.08622	0.8
121.10186	1.5
123.08073	0.5
127.03918	2.4
133.10117	0.5
135.11732	1.2
145.10191	1.1
163.11278	1.0
203.05510	0.7
239.07310	0.6
243.08575	1.5
249.10893	0.5
291.58759	0.5
347.09705	1.6
365.10870	0.9
405.13568	3.6
413.78235	0.7
467.19043	2.8
519.29742	3.4
538.15424	0.6
629.24231	2.0
681.34717	5.7
745.40680	1.0
835.14490	0.5
907.46637	100.0
908.47290	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.4872
Annotation	Unknow
Peak:m/z	Relative Intensity
65.41703	0.3
67.05512	4.2
69.03431	3.1
69.07074	0.7
70.61293	0.3
71.01353	0.6
71.02712	0.8
71.05020	0.4
72.44058	0.4
73.02915	4.7
79.05494	3.3
81.03429	1.4
81.07059	3.7
83.08626	0.6
83.96655	0.4
85.02915	6.3
87.04494	0.4
91.03965	3.7
91.05478	2.6
93.07054	3.6
95.04970	0.6
95.08620	3.2
97.02901	6.2
97.06532	0.5
99.04488	1.0
101.02387	2.0
103.03962	0.5
104.92149	0.4
105.07059	1.3
107.04983	0.4
107.08610	1.2
109.02890	1.0
109.10182	0.9
115.03918	0.9
117.07019	0.4
119.08605	1.2
121.10172	1.1
127.03941	2.2
131.08553	0.7
133.10173	0.9
145.10168	0.4
147.11731	1.0
149.13181	0.4
161.13322	0.7
171.11745	0.4
185.04279	1.1
201.03822	0.4
203.05453	0.8
243.08423	2.7
247.13159	1.2
260.92435	0.4
268.66675	0.3
335.25922	0.5
338.43671	0.4
347.09668	1.4
365.10757	1.0
405.13736	5.4
465.21048	3.9
483.28857	0.5
519.29407	5.4
627.25964	2.0
681.34741	5.9
743.43945	1.6
905.48718	100.0
906.48895	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	904.5271
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	1.8
67.05512	37.9
69.03434	3.3
69.06724	0.7
69.07077	10.4
69.29017	3.9
69.29414	1.1
71.04993	3.4
71.08634	0.7
72.06054	0.5
73.02914	2.4
74.01804	0.6
79.05498	30.2
80.76128	0.5
81.03426	32.5
81.07066	39.9
83.04989	7.9
83.08623	14.6
85.02912	21.9
85.03432	0.9
85.06564	1.6
85.94207	0.5
91.03964	5.1
91.05487	27.5
93.07055	30.1
95.04976	15.4
95.08614	26.2
97.02910	6.2
97.06548	2.9
97.10179	3.9
98.21577	0.7
99.04413	1.0
99.08095	1.2
105.04507	0.8
105.07041	20.5
107.04970	3.4
107.08608	16.1
109.06520	2.8
109.10173	9.8
111.04466	1.5
111.08125	5.4
113.06005	1.0
115.03967	0.8
115.05465	1.0
117.07042	3.7
118.64975	0.5
119.08594	14.9
119.09451	0.7
121.06512	1.5
121.10157	15.9
123.08078	2.3
123.11738	3.8
125.09672	1.2
127.03918	1.9
129.07010	5.9
131.08575	9.0
133.06493	0.8
133.10146	11.0
135.08128	0.5
135.11734	6.2
137.09663	0.8
137.13342	0.6
142.07819	1.8
143.08572	1.1
145.04996	2.2
145.10117	5.5
147.08099	2.4
147.11700	10.7
149.09602	3.6
149.13260	3.4
157.10121	7.8
159.11787	2.7
161.13297	1.9
163.06036	1.7
163.14842	1.7
165.12744	1.8
169.10115	0.7
173.13306	2.5
175.11211	8.1
175.14821	1.1
177.16429	0.7
184.07405	0.7
185.13242	0.6
187.14919	1.1
187.79745	0.6
193.12257	24.4
196.36925	0.7
206.54288	0.7
211.13313	32.2
227.12810	0.9
243.21092	2.9
252.28160	0.6
261.22174	8.8
267.15952	9.1
279.23300	0.7
285.16989	41.8
301.25293	1.0
307.22806	0.6
317.24667	3.1
335.25833	62.7
336.26270	2.0
435.32556	0.9
453.33597	1.4
471.34564	0.9
527.37372	13.3
545.38403	100.0
546.38843	3.5
561.38306	0.6
607.69171	0.6
762.30646	0.7
845.40875	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.33
Annotation	Unknow
Peak:m/z	Relative Intensity
71.56552	0.8
78.31181	0.5
91.05494	5.1
102.18476	0.6
102.75787	0.5
105.07030	1.8
119.04956	9.3
120.08086	0.7
121.06545	1.6
122.06043	1.3
122.09668	1.0
124.07536	1.0
133.06508	4.4
136.07593	1.6
138.09132	1.4
147.04420	32.1
148.07576	2.6
161.06056	0.9
162.09116	0.8
164.07104	2.6
179.06996	1.4
186.07890	0.8
199.12299	0.8
203.08185	1.8
204.06537	0.9
214.08627	0.8
217.09717	0.9
225.10239	5.3
226.11090	4.9
229.06029	0.8
235.10500	0.6
241.13461	4.8
244.08435	0.8
245.09253	2.5
257.09265	1.1
259.14432	2.6
261.08667	1.9
263.10376	3.5
269.09225	2.4
275.14041	0.7
278.13025	0.6
283.10858	0.7
284.11636	3.2
285.12354	68.9
286.12729	1.7
287.05505	5.7
287.10394	0.7
291.13489	0.6
301.11853	1.1
304.11172	0.6
304.14481	1.2
305.11365	4.5
305.14801	0.9
310.11810	3.3
318.12405	1.6
318.15921	1.4
319.16766	3.9
320.17725	0.6
322.11792	2.4
331.09302	1.0
332.14026	1.8
334.11865	1.1
334.19214	1.8
336.13541	2.7
336.17102	0.9
346.15573	1.7
347.16177	2.3
348.13461	3.3
349.13922	1.6
350.15076	2.0
352.20142	0.7
362.11310	3.4
362.14972	2.7
362.18457	3.0
363.16208	1.2
364.16446	1.3
364.20496	0.8
376.12976	11.6
377.13638	5.6
378.13858	1.2
378.18201	17.6
379.18829	0.9
380.19678	5.7
386.12125	0.7
388.16287	0.9
390.14316	4.0
390.18744	0.8
391.15311	12.2
404.15411	1.3
406.17633	100.0
407.18124	3.6
408.19217	22.9
409.19583	0.8
412.10367	1.9
424.18597	1.0
426.20309	4.5
436.18640	4.8
444.21225	1.6
450.16333	0.7
451.17389	2.4
452.18210	67.9
453.18463	2.6
482.19330	4.7
589.26550	4.9
607.27917	2.6
619.27502	2.5
630.24585	4.2
637.28546	3.5
660.25555	7.5
674.23450	21.3
675.23560	0.9
678.26526	1.0
704.24512	48.5
705.24469	2.1
718.22375	1.4
734.20715	1.1
735.03339	0.9
748.23224	5.5
767.32593	1.3
785.33185	2.8
797.34296	3.1
811.31781	9.9
815.35120	4.9
829.32611	9.5
841.32794	12.8
842.32611	0.9
859.33881	21.3
860.33478	0.8
903.32727	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	904.5262
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03950	2.9
67.05167	3.6
67.05510	52.6
67.64857	1.5
69.03445	5.2
69.07078	13.3
70.09948	8.4
71.04990	3.5
73.02912	4.0
73.74420	1.7
79.05498	42.2
81.03424	61.2
81.07065	49.8
83.04999	13.4
83.08627	22.4
85.02911	33.0
85.06537	3.9
91.03976	9.2
91.05489	36.2
93.07056	37.2
94.88451	1.7
95.04980	25.1
95.08611	33.0
97.02900	10.2
97.06541	4.9
97.10179	4.8
105.07040	29.8
107.04983	5.6
107.08606	20.8
109.06547	6.7
109.10152	14.6
109.49757	1.7
111.04452	3.2
111.08100	6.9
113.06084	2.7
117.07059	3.7
119.08598	25.4
121.06514	3.1
121.10152	19.3
123.08068	3.0
123.11736	3.3
125.09623	2.7
127.03918	2.5
129.07030	9.7
131.08582	14.9
133.06529	4.2
133.10138	15.2
135.11691	10.3
137.09583	2.6
142.07848	3.9
145.04976	2.0
145.10127	6.6
147.08058	3.1
147.11699	14.0
149.09647	6.3
149.13263	4.1
157.10115	14.8
159.11725	2.6
161.13232	4.8
163.06018	4.6
168.81599	1.7
173.13263	4.0
175.11197	13.4
175.14754	2.0
184.07301	3.5
193.12283	43.5
211.13313	64.7
211.15271	4.0
243.21178	2.6
261.22079	8.9
267.15979	13.9
285.16983	71.0
317.24762	2.6
335.25833	62.7
336.26077	2.7
453.33417	3.2
506.37885	2.0
527.37268	13.5
545.38409	100.0
546.38281	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	903.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	1.1
71.10310	0.7
71.56374	1.1
85.02924	0.7
91.05484	4.1
95.04953	0.8
104.56188	0.6
105.07020	2.1
119.04945	8.2
121.06507	1.1
122.09669	1.9
124.07589	1.1
133.06480	7.3
136.07651	0.8
138.09155	0.7
147.04416	26.8
154.07826	0.7
161.05988	2.3
162.09111	0.7
163.04001	0.7
164.07086	2.4
173.05949	1.1
179.07001	3.2
199.12447	0.9
203.08141	2.3
204.06528	1.1
211.08673	0.8
217.09711	1.6
225.10242	9.8
226.10994	8.5
235.10780	2.9
241.13377	6.8
245.09180	3.3
259.10785	1.5
259.14346	3.7
260.14789	0.9
261.08704	2.2
263.10321	2.9
269.09082	3.5
270.09970	0.9
275.13947	1.5
277.12000	0.8
284.11618	4.8
285.12341	100.0
286.12759	6.0
287.05423	5.0
287.10294	1.9
287.12991	0.9
292.14600	0.8
301.11862	0.9
302.12918	0.9
304.14386	1.1
305.11383	6.7
310.11896	1.7
318.12378	2.2
318.15826	0.8
319.16849	2.6
322.11853	2.7
331.08954	1.0
332.13885	1.4
334.11948	0.8
334.18997	0.8
336.13452	4.3
346.15475	2.8
347.16260	3.4
348.13379	3.0
348.17111	0.7
349.14172	1.6
350.15051	4.6
352.20126	1.2
361.14548	1.4
362.11267	4.0
362.15045	2.4
362.18750	2.2
363.15976	1.4
364.16376	3.0
365.17130	1.0
376.12939	15.3
377.13681	7.4
378.14078	1.6
378.18179	14.8
379.18552	1.0
380.19705	6.1
382.21027	2.0
388.16504	0.9
390.14124	4.4
390.18826	1.5
391.15280	10.4
392.15573	2.3
392.20090	1.2
393.16583	0.8
404.15933	1.9
406.17618	81.4
407.17838	6.7
408.19189	31.0
409.19382	1.9
412.10153	0.9
418.17429	2.0
426.20337	6.1
434.17227	0.8
436.18668	11.5
444.21472	1.0
451.17337	2.1
452.18210	40.4
453.19098	3.3
454.18750	0.9
482.19415	5.7
545.27496	0.8
565.18243	0.8
589.26300	0.9
591.28284	0.9
607.27844	1.4
619.27350	2.7
621.28577	0.8
630.24451	8.7
637.27863	1.4
660.25494	24.2
661.25677	1.2
674.23450	21.1
675.23492	1.3
678.26355	1.8
680.27399	0.9
686.23352	0.9
690.22607	1.5
704.24512	77.7
705.24762	4.0
718.22736	4.2
721.24042	1.0
722.24353	2.4
734.21478	1.5
748.10736	1.3
748.23480	23.8
797.32465	0.9
811.32166	1.1
815.33624	2.3
829.32001	3.1
841.33044	4.7
842.31439	1.0
859.34045	11.1
903.31476	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5112
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03949	1.3
67.05511	38.4
69.03418	3.1
69.07070	8.0
70.02430	2.9
71.01363	1.6
71.04987	3.9
71.08642	0.7
73.02932	4.4
79.05502	34.5
81.03423	11.4
81.07063	41.7
83.01363	6.7
83.04983	10.2
83.08614	11.7
85.02423	1.2
85.02911	18.5
85.06557	1.2
91.03968	11.3
91.05488	21.3
92.07056	0.7
93.07055	42.9
95.04978	7.9
95.08615	33.6
95.09113	0.7
95.09228	1.3
97.02907	9.6
97.06525	4.6
97.10193	4.5
99.04457	3.0
99.08084	1.0
105.06380	1.1
105.07036	14.7
107.04952	7.3
107.08608	23.5
109.02898	1.1
109.06513	6.3
109.10159	13.8
111.04443	1.8
111.08092	2.4
117.07024	9.0
119.07775	1.4
119.08586	14.9
121.06516	2.8
121.10152	19.8
123.08071	7.2
123.11708	4.4
123.18935	0.6
125.06017	1.3
125.09676	3.5
127.03954	3.4
127.72674	0.7
129.06995	2.1
130.07825	1.3
131.04942	0.9
131.08589	9.7
133.10129	8.3
135.08081	1.3
135.11691	16.3
137.09608	1.9
137.13217	0.8
139.07561	0.7
139.11238	1.2
143.08536	1.5
145.04939	5.2
145.06454	1.4
145.09038	1.1
145.10135	17.5
147.08066	2.0
147.11673	5.4
149.09639	0.9
149.13275	5.7
153.12778	2.7
155.08569	1.9
157.10191	0.9
159.11700	5.3
161.13246	3.5
163.05984	5.9
163.11200	19.1
163.14862	2.9
169.10150	1.6
171.11726	1.3
173.09654	1.6
173.13286	5.3
175.11203	0.7
175.14838	1.4
177.16374	1.5
181.12265	2.3
185.13229	1.0
187.14818	2.8
189.11220	2.6
191.10643	2.2
193.12309	2.1
199.14778	1.0
201.16478	0.8
208.86537	0.8
209.11707	6.8
211.13246	0.9
227.12793	11.1
243.21123	5.1
259.20630	1.7
261.22174	16.0
267.15988	2.0
277.21689	0.8
283.15414	100.0
284.15744	2.3
299.23700	4.9
301.21463	1.0
317.24701	3.2
333.24219	1.9
335.25827	68.6
336.26172	1.8
415.29407	0.9
433.31259	3.0
444.59396	1.1
451.32053	3.7
469.33112	3.1
487.34637	1.3
515.36926	1.2
517.36285	0.8
525.36053	6.3
543.36853	56.9
544.37158	2.8
561.37976	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	902.5106
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	3.6
67.05506	48.3
69.03430	3.9
69.07071	11.8
71.01337	1.0
71.04997	4.3
71.08621	1.0
71.12877	0.8
71.13213	0.8
72.55496	0.5
73.02916	5.0
73.06515	0.5
79.05493	43.7
81.03423	10.5
81.07057	51.3
82.07380	0.6
83.00906	0.5
83.01344	7.9
83.04986	11.6
83.08623	14.1
85.02906	21.3
85.06519	2.0
85.10133	0.6
91.03959	10.5
91.05482	26.5
93.07044	50.9
95.04964	8.3
95.08609	36.3
96.04452	0.7
96.08861	0.5
97.02290	0.6
97.02888	12.8
97.05996	0.5
97.06532	6.7
97.10156	4.8
99.04448	3.3
99.08070	1.4
103.05450	0.9
105.04482	1.1
105.07032	19.7
105.07748	1.0
107.04964	6.7
107.08595	30.7
109.02879	1.1
109.05887	0.6
109.06525	6.5
109.10155	17.2
111.04420	2.2
111.08080	3.2
113.09592	0.8
115.03899	0.6
115.05442	0.7
117.06239	0.6
117.07017	13.0
119.08578	18.7
121.06483	2.6
121.10144	21.3
123.04390	0.8
123.07301	0.7
123.08069	7.7
123.11725	5.0
125.05958	1.8
125.09623	3.6
127.03912	5.5
129.07007	2.9
130.07799	1.0
131.08569	13.2
133.10132	10.5
135.08076	2.6
135.11696	20.4
137.09564	2.2
137.13225	1.5
139.07516	1.0
143.08539	2.1
145.04951	4.6
145.06096	0.5
145.06502	0.6
145.10127	19.6
147.08083	2.6
147.11699	6.6
149.09586	2.2
149.13254	7.1
151.11168	0.8
153.09175	0.8
153.12787	3.7
155.08543	2.1
157.10115	1.5
159.11673	5.8
161.13258	4.3
163.06007	5.4
163.11186	22.0
163.14856	3.7
165.12721	0.9
169.10089	1.0
171.10257	0.6
171.11662	1.4
173.09645	3.0
173.13271	7.6
175.10846	0.5
175.14796	2.2
177.12743	0.8
177.16406	0.8
179.14275	0.6
180.08649	1.1
181.10132	0.5
181.12201	3.1
183.11674	0.9
185.13290	1.2
187.14828	3.3
189.11185	3.3
189.12683	0.6
191.10643	3.0
193.12273	1.8
197.13126	0.8
199.14879	0.9
201.16475	0.6
209.11726	6.6
209.13393	0.8
211.13246	1.5
215.18048	0.6
227.12775	10.8
233.22697	0.6
241.19521	1.4
243.21075	5.5
245.13783	0.5
259.20529	2.6
261.22147	20.1
262.22617	0.6
267.15860	2.1
273.21985	0.9
279.23059	0.6
281.22717	0.7
283.15399	100.0
284.15668	1.9
285.16885	1.1
290.02310	0.6
299.23724	6.5
315.23071	0.6
317.24738	6.7
333.24219	2.1
335.25800	93.2
336.26199	2.1
357.24057	0.7
360.81882	0.5
378.32404	0.5
415.30502	0.8
423.32791	0.9
433.31015	2.9
451.32178	4.2
451.37833	0.7
469.33105	3.2
487.34262	1.8
515.37256	1.4
525.35718	7.3
532.33728	0.6
543.36804	93.2
544.37292	3.6
561.37915	6.9
902.50732	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03952	0.8
67.05506	7.9
68.99790	10.0
69.03439	1.0
69.07079	6.2
71.04961	0.7
71.16636	1.7
71.43676	0.7
79.05499	5.7
81.03402	1.2
81.07061	13.4
83.04974	1.2
83.08604	4.2
85.02859	0.7
85.06526	0.9
89.03915	2.1
91.05489	4.7
93.07045	7.8
95.04985	1.5
95.08611	10.7
97.02888	1.0
97.06540	3.2
97.10177	2.8
103.05443	1.7
104.88951	0.9
105.07033	3.3
107.04953	2.3
107.08589	5.4
109.02874	3.4
109.07257	0.8
109.10170	3.6
111.00816	4.6
111.04446	3.4
111.08110	2.0
115.05460	1.5
117.03389	2.6
117.07005	2.9
119.08595	2.8
121.06528	1.7
121.10120	5.3
123.04424	2.2
123.08026	1.7
123.11694	1.3
125.02412	1.4
125.06004	2.0
125.09609	0.9
127.03916	1.1
129.07051	1.4
131.04935	3.3
131.08572	2.7
133.06490	1.5
133.10165	3.6
135.04420	10.8
135.08089	0.8
135.11676	2.6
137.05994	3.1
137.09622	2.6
139.03903	3.9
139.07553	1.7
141.01840	1.2
141.05530	0.9
143.04892	3.3
143.08562	0.7
145.02843	8.0
145.06497	2.6
145.10167	1.7
147.08000	0.9
147.11691	2.3
149.06000	1.9
149.09647	1.4
149.13245	2.2
151.03929	3.9
153.05466	3.5
153.09105	1.0
155.04912	5.7
157.10120	1.4
159.04434	1.9
159.11717	1.2
161.05975	4.7
161.09557	1.2
161.13344	2.1
163.03909	100.0
163.14796	1.0
164.04211	1.7
165.05547	1.1
171.11646	0.8
173.05957	6.6
173.13260	1.3
175.14775	1.3
177.05478	1.8
179.07053	0.8
179.10736	1.1
179.50938	0.8
183.04404	7.9
187.03870	5.0
191.14249	1.4
195.10193	1.5
199.14713	0.9
201.05458	13.8
205.04919	1.6
209.15402	2.4
211.03992	2.8
213.16499	1.1
217.04991	6.0
217.15929	1.6
219.04503	1.3
219.06444	6.9
223.16954	1.0
229.04956	5.6
235.16946	2.5
247.06032	73.6
248.06418	0.9
251.16307	4.4
259.06036	23.2
259.16843	0.9
263.16422	9.2
265.18030	2.7
277.17987	14.2
279.15936	6.1
279.19113	1.6
293.17325	3.7
295.19186	0.8
296.57297	0.9
307.19052	1.3
353.19708	5.6
367.21182	3.3
401.30600	1.3
425.19830	4.0
425.30411	2.5
429.29633	1.3
439.21176	11.2
443.31531	6.8
453.29968	2.4
457.22150	1.2
471.31079	44.7
472.31131	1.3
489.31683	8.9
499.23184	9.7
511.66257	0.8
513.24847	17.6
517.34790	0.9
527.33502	0.9
535.35742	1.2
543.25806	1.6
545.34735	61.2
546.34912	2.8
563.35645	6.5
619.38391	23.0
620.38641	1.2
637.39465	16.4
654.50116	0.9
677.02203	0.8
730.71259	0.9
791.39600	2.3
901.48730	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	901.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	10.3
68.99792	11.2
69.07076	5.0
79.05502	6.5
81.03432	1.2
81.07066	15.0
83.01330	1.0
83.04983	1.7
83.08622	4.6
85.06534	1.3
86.09701	0.9
89.03937	2.7
91.05505	5.1
93.07048	8.8
95.04993	2.4
95.08624	10.3
97.06541	2.4
97.10187	1.6
105.07023	5.2
107.04989	2.8
107.08587	7.2
109.02898	2.4
109.06538	2.0
109.10201	4.1
111.00809	4.5
111.04436	4.4
111.08092	2.1
115.05511	2.3
117.03387	3.2
117.07067	2.5
119.04960	0.8
119.08601	5.4
121.06543	1.2
121.10175	5.6
123.04471	2.8
123.08153	1.5
123.11829	0.9
125.02346	0.9
125.05973	1.5
125.09689	1.1
127.03931	1.9
129.07010	1.0
131.04962	2.6
131.08588	3.2
133.06479	1.0
133.10159	4.6
133.16736	1.0
135.04446	10.9
135.08083	2.6
135.11737	2.9
137.02426	1.1
137.05992	4.0
137.09583	1.1
139.03949	2.8
139.07541	1.2
141.01894	1.9
141.05499	1.4
143.04950	2.5
143.08607	1.2
145.02882	8.0
145.06548	3.5
145.10103	2.1
147.11726	2.0
149.06021	2.4
149.13271	2.2
151.03937	2.6
153.05498	3.0
153.09161	1.9
155.04922	7.4
157.10173	1.2
159.04437	2.7
159.11728	1.0
161.06027	5.0
161.09702	1.1
161.13268	1.3
163.03928	100.0
163.11124	0.9
163.14864	1.2
164.04279	1.5
165.09178	1.0
167.10707	1.2
171.11659	0.9
173.05994	6.9
173.13240	1.3
175.14923	1.4
177.05586	1.4
181.12302	1.0
183.04391	5.9
187.03870	5.1
201.05504	14.9
205.05019	2.7
209.11838	1.7
209.15456	2.5
211.03989	2.3
217.05052	5.3
217.15831	1.4
219.06529	6.8
221.15205	1.2
229.04985	5.8
235.16989	2.1
237.14862	1.2
247.06049	76.2
251.16299	4.0
259.06073	24.3
263.16556	6.4
265.17987	2.2
277.18027	13.4
279.15958	7.9
279.19193	2.1
293.17587	3.4
353.19571	4.2
359.96411	0.9
367.21158	3.4
401.30264	1.5
425.19464	6.0
425.30557	2.5
439.15732	1.5
439.21201	14.3
443.31723	7.6
453.29996	3.0
454.47632	0.8
471.31091	48.9
472.31436	1.8
489.31897	11.0
499.23392	9.7
500.01730	1.0
513.24915	18.7
517.36066	0.9
535.36133	1.6
543.26099	1.5
545.34790	55.9
546.35480	2.5
563.35809	7.0
619.38605	20.0
620.38660	1.6
637.39362	13.5
791.39294	2.7
901.48816	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5318
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	2.6
67.05508	35.7
69.03439	1.0
69.07073	9.2
69.09338	0.5
69.38741	1.4
69.39160	3.0
71.04987	2.0
71.08648	0.6
71.89597	0.5
73.02908	1.0
73.06559	0.9
77.03909	0.5
79.05498	42.9
81.03436	3.6
81.07060	35.1
83.04980	6.3
83.08614	5.0
85.02912	3.2
85.06542	1.2
91.03967	1.9
91.05485	33.8
93.07049	46.6
95.04974	10.3
95.08611	25.0
97.02905	2.8
97.03461	0.5
97.06511	3.0
97.10167	1.6
98.82356	0.5
99.04475	0.5
104.76602	0.5
105.04506	0.8
105.07037	22.5
107.04954	2.6
107.08597	15.6
107.09289	1.0
109.06543	3.5
109.10169	6.4
111.08086	1.0
115.05453	0.8
117.07016	6.7
118.96566	0.5
119.08584	13.9
121.06484	1.4
121.10139	8.7
123.08073	2.6
123.11720	1.6
127.03979	0.5
127.07600	0.9
128.06210	1.5
129.07013	8.0
130.07800	0.5
131.08574	4.5
132.98293	0.5
133.10138	8.0
135.08124	0.6
135.11687	5.6
137.09631	0.6
137.13312	0.8
140.01492	0.5
143.08566	5.3
145.04878	0.5
145.10123	7.6
147.08105	0.8
147.11694	19.6
149.13251	2.0
159.11697	2.5
161.09641	2.4
161.13266	6.5
163.14818	0.9
169.10127	0.7
171.11702	13.6
173.13290	1.2
187.14873	1.2
189.12721	4.5
207.13818	14.9
225.14909	1.2
243.21217	1.6
246.80893	0.5
261.22272	4.0
279.15942	2.6
281.17474	49.0
282.17828	1.1
317.24905	1.4
333.24350	0.6
335.25815	40.6
336.26245	1.0
432.27393	0.7
449.33920	0.8
467.34940	0.6
523.38074	1.0
541.38922	100.0
542.39386	4.2
559.40106	2.5
784.28967	0.6
817.01862	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5378
Annotation	Unknow
Peak:m/z	Relative Intensity
63.17295	0.8
65.03925	1.2
67.05511	14.6
68.69347	0.8
69.03433	4.0
69.07079	8.7
69.07424	1.5
69.57938	6.3
71.08637	18.7
73.02918	4.0
73.64172	0.8
73.75939	0.8
78.99915	0.8
79.05510	9.7
81.03434	6.7
81.07065	17.5
82.04202	2.1
83.05006	7.2
83.08623	12.5
85.02917	11.3
85.06542	1.1
85.10204	10.7
85.85746	0.8
91.03955	5.1
91.05485	8.5
93.07052	8.4
95.04990	7.3
95.08614	17.0
96.05760	1.0
97.02911	7.5
97.06539	3.5
97.10191	10.1
98.07320	3.4
99.04443	1.6
105.07031	3.3
107.04987	2.5
107.08599	6.0
109.06532	1.0
109.10170	10.9
111.04468	2.6
111.08060	1.8
113.61963	0.8
115.25961	0.9
116.04720	5.7
117.07028	2.7
119.08572	4.3
120.68609	0.9
121.06506	0.9
121.10151	3.0
123.08056	2.4
123.11739	2.9
125.09662	6.8
127.03928	2.1
129.05495	13.4
129.07001	1.4
131.08582	3.6
133.10144	2.5
135.08040	1.3
135.11713	3.3
137.09604	1.3
143.07068	2.8
145.04926	2.0
145.10143	2.9
147.11693	2.4
149.09633	1.5
157.08636	6.8
157.10132	2.5
163.06021	2.6
163.11208	3.6
171.06573	2.3
171.10164	1.8
175.11234	1.2
181.12143	0.9
185.08182	1.2
189.11232	3.0
191.10619	1.3
193.12308	2.5
199.13307	2.2
200.14151	1.1
209.11748	3.9
211.13217	1.1
227.12769	7.1
229.14206	1.1
239.23775	3.9
255.15842	2.1
257.24722	1.9
267.15985	3.0
269.17468	1.2
283.15445	16.1
284.15976	1.2
301.16483	43.5
311.22339	1.2
313.27399	81.3
314.27734	1.5
367.28452	6.1
395.31656	2.3
438.37024	2.0
467.37198	1.5
505.39240	4.6
521.38550	15.5
522.38995	3.7
539.39471	100.0
540.39844	5.8
585.58569	0.9
772.56921	0.9
898.48334	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	897.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	0.5
68.99797	3.0
69.94502	0.3
71.55978	0.5
79.63001	0.3
85.02876	0.5
95.04922	0.5
104.17541	0.3
105.03387	0.3
106.42822	0.3
107.04942	0.7
109.02898	0.8
111.00784	1.8
111.04457	0.8
115.05427	0.6
119.04983	0.4
121.02856	1.2
123.04450	3.1
127.03925	7.8
131.04938	0.6
133.02831	0.6
135.04404	1.3
137.02339	10.2
137.03369	0.6
139.03906	25.6
145.02763	0.4
145.06448	0.4
147.04387	2.0
147.81615	0.3
147.86070	0.3
149.02354	5.6
151.03897	5.4
153.01834	4.1
155.03377	1.5
155.04662	0.4
157.06445	0.9
159.04492	0.7
161.06007	0.6
163.03915	4.1
165.01837	0.4
165.05461	0.5
167.03421	0.6
169.06505	0.6
171.04359	0.9
173.05994	0.8
175.03917	2.9
175.07491	0.3
177.01889	0.4
177.05461	1.4
179.03389	7.3
181.04939	0.4
183.04395	0.9
185.05952	1.8
187.03896	1.2
189.05458	2.1
191.03482	1.9
193.04991	0.8
197.05975	1.2
199.03897	1.4
201.05496	1.8
203.03416	6.2
205.04944	0.9
211.03915	0.6
213.05438	4.4
215.03349	0.6
216.04221	0.3
217.04912	1.8
219.02798	0.4
219.06503	0.4
221.04414	0.6
225.05467	0.8
227.03398	1.2
229.04935	3.5
231.06512	6.8
233.04352	1.4
235.02469	0.4
237.05266	0.4
239.07103	0.3
241.05000	2.8
243.06551	0.4
245.04469	6.6
247.06058	4.1
253.04997	1.1
257.04468	18.4
258.05096	1.0
259.05969	5.1
263.05469	3.9
269.04428	4.5
270.04962	0.3
271.05942	2.0
275.05450	3.5
281.04471	1.5
282.05127	0.3
283.06061	0.8
285.03885	1.2
286.04776	0.5
287.05499	100.0
288.05804	2.7
289.07126	0.5
293.04562	0.6
295.05939	0.6
297.03879	0.8
299.05499	9.8
301.07065	0.4
303.05005	0.9
305.06464	2.7
307.08206	0.4
311.05478	1.5
315.05118	0.4
317.06567	9.1
321.07721	0.5
323.05435	0.3
335.05655	0.5
345.07480	0.6
347.05283	0.4
349.07147	0.6
351.05023	0.6
359.05487	0.4
361.07108	0.6
365.06781	0.4
373.07205	0.4
377.06546	1.5
389.06458	1.0
390.06943	0.4
391.08044	1.1
393.06165	0.9
395.07611	2.8
405.06061	0.8
407.07462	2.6
413.08682	8.5
417.06067	0.9
419.07736	1.2
421.09583	0.4
423.06989	2.7
425.08685	9.2
435.07184	1.2
437.08441	0.8
443.09726	3.9
447.07132	2.3
449.08401	0.5
453.08017	0.5
465.07883	0.9
467.09512	1.2
525.08160	0.6
531.09082	0.4
543.09302	5.1
544.09338	0.5
549.10272	14.1
550.10236	0.6
555.09229	1.1
561.10364	2.2
573.10132	3.9
574.11389	0.4
585.10083	1.3
591.11279	1.0
603.11414	0.6
648.41827	0.4
693.12006	1.2
711.13416	8.9
712.13855	0.5
729.14508	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	897.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03952	0.6
68.99789	3.4
70.37565	1.2
78.14452	0.3
78.58887	0.3
79.05527	0.3
101.88006	0.3
105.03410	0.4
107.04976	0.7
109.02900	0.8
111.00812	2.0
111.04439	0.7
115.05439	0.5
117.03341	0.4
119.04924	0.5
121.02873	1.3
123.04449	6.3
125.02373	0.8
127.03927	7.7
129.07112	0.3
131.04942	1.0
135.04425	4.8
137.02342	1.5
139.03915	21.2
143.03413	0.6
145.02856	0.7
145.06480	0.6
147.04420	2.0
149.02350	5.7
149.05965	1.0
150.03134	0.9
151.03928	4.2
153.01836	11.1
153.02945	0.7
155.03413	1.7
155.04839	0.7
157.06503	0.4
159.04439	1.6
161.02315	0.6
161.05952	0.8
163.03917	12.4
165.01860	0.8
165.05513	1.1
167.03355	1.1
169.06532	0.4
171.04436	0.8
173.02393	0.5
173.06003	1.2
175.03926	2.2
175.64594	0.3
177.01733	0.3
177.05515	2.8
179.03409	4.0
181.04994	0.5
181.06496	0.6
183.04437	2.0
185.06004	1.1
187.03879	2.4
189.05472	1.4
191.03400	5.9
191.07077	0.4
193.04926	1.7
195.06549	0.4
197.06009	1.0
201.05478	4.3
203.03401	3.9
203.06952	0.6
205.04997	3.1
207.02914	0.5
211.03912	0.7
213.05421	2.2
215.03391	2.2
216.04237	0.6
217.04964	1.8
219.02922	3.9
225.05453	0.5
228.04199	0.3
229.04958	7.9
231.06587	1.0
233.04489	2.4
234.05107	0.4
237.05733	0.6
239.03450	0.4
241.04930	2.0
243.02797	1.0
243.06755	0.4
245.04495	6.7
247.06042	10.6
253.04984	1.1
255.02818	0.4
255.06557	1.3
257.04474	27.8
258.05209	1.6
259.06012	7.0
259.08691	0.4
261.03943	2.7
263.05557	1.8
269.04572	2.8
270.05215	0.4
271.05978	4.8
273.03912	1.0
273.07556	1.0
274.04767	1.1
275.05469	6.3
281.04471	1.0
283.06042	4.4
285.03961	5.3
287.05502	14.4
288.05835	0.5
289.07193	2.6
295.05972	0.6
297.03903	0.9
297.07468	0.4
299.05463	3.0
301.03979	0.4
301.07053	8.4
303.05011	100.0
304.05389	2.9
305.06845	0.4
309.03876	0.4
313.07095	0.4
315.04944	1.3
317.06583	1.4
319.08032	1.0
321.07526	0.4
327.04788	1.7
335.05292	0.4
349.07132	0.4
351.04910	0.7
361.07117	0.8
363.05042	0.5
365.06808	0.7
377.06580	1.0
379.08087	0.4
389.06500	1.4
391.08182	0.4
393.05939	1.2
395.07712	0.7
401.06540	0.6
405.06046	1.7
407.07721	2.5
409.09628	1.6
411.07245	2.4
413.08337	0.6
419.07727	1.1
423.07153	2.5
425.08725	9.9
427.05862	0.4
427.10382	5.5
429.08209	4.3
433.05618	1.1
435.07120	1.2
437.08652	0.9
441.08115	1.0
443.09900	1.7
445.05756	0.5
447.07358	2.5
451.10858	0.5
463.06848	1.5
465.07968	1.5
499.05817	0.5
531.09015	0.5
541.07617	1.1
543.09204	0.6
549.10321	22.1
550.10675	1.1
555.09338	0.7
559.08667	7.0
571.08215	0.5
573.10132	2.0
577.09460	1.1
585.10193	1.5
589.09943	2.7
591.11200	0.9
601.10345	0.5
603.11353	0.5
613.09460	0.4
693.12122	0.9
711.13336	3.5
712.12854	0.4
727.00958	0.6
727.13037	9.9
729.14624	0.9
745.14008	8.8
746.14227	0.7
771.15009	0.5
904.88684	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.5216
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03923	0.5
67.05515	12.8
69.03428	2.8
69.06722	0.4
69.07069	6.5
69.89122	1.9
71.01330	1.3
71.04977	1.4
71.08637	20.7
71.09014	0.7
73.02926	2.8
79.05499	5.2
81.03439	3.2
81.07066	18.4
82.07367	0.5
83.04957	1.6
83.08626	14.2
85.02430	0.5
85.02907	8.3
85.06526	1.2
85.10191	11.7
87.04472	0.5
89.05994	1.4
91.03505	0.4
91.03967	5.4
91.04984	0.7
91.05489	11.2
93.07059	9.8
95.04996	2.0
95.08612	15.6
96.04466	0.9
96.95191	0.4
97.02911	8.1
97.06528	2.3
97.10179	3.9
98.20789	0.5
99.00208	0.7
99.00823	11.4
99.04428	1.0
99.08092	0.5
99.11736	0.8
103.03897	0.4
103.05468	0.8
103.07549	1.1
105.07034	10.2
107.04965	3.8
107.08606	4.7
109.02896	6.3
109.06495	1.1
109.10166	9.0
111.04445	0.9
111.08089	2.8
111.11700	1.3
115.03946	2.3
115.05379	0.4
117.07010	2.3
119.04895	0.6
119.07768	0.5
119.08589	5.4
119.71969	0.4
121.06535	5.0
121.10101	0.8
123.04408	1.1
123.08050	1.1
123.11719	3.8
125.09590	0.7
125.13233	0.6
127.03922	4.9
128.06216	1.1
129.06926	0.5
131.08562	1.0
133.06503	1.1
133.10141	25.3
134.10493	0.5
135.08043	0.8
135.11684	1.0
137.05939	1.6
137.09598	1.1
137.13240	1.1
139.07512	2.0
141.05467	0.6
141.96419	0.5
143.08574	3.4
145.04977	2.8
145.06456	1.3
145.10112	0.5
146.47229	0.4
147.08046	0.8
151.11195	8.9
151.14742	0.6
153.06953	0.4
161.09636	14.3
163.06018	2.6
165.09137	0.8
171.08093	3.2
179.10701	7.1
189.09120	5.7
197.11719	2.6
207.10184	1.9
225.11232	6.9
239.23746	1.3
243.12189	1.4
257.24783	2.6
281.13846	2.4
299.14917	78.8
300.15247	1.6
313.27383	100.0
314.27655	2.7
374.18750	0.4
537.37903	90.8
538.38220	3.3
557.29675	0.5
583.24664	0.5
668.02515	0.4
896.45203	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.177
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02386	0.2
65.03943	1.6
66.12016	0.1
68.99789	0.6
69.03428	0.9
71.05005	0.2
71.30566	0.2
79.05489	0.1
81.03419	3.7
85.02895	0.9
89.03919	1.5
91.05483	10.2
92.05850	0.2
93.03416	0.4
95.04966	0.4
97.02897	0.3
99.04465	0.4
107.04969	0.4
109.02880	1.8
111.00824	0.8
117.03373	1.4
119.04945	22.4
120.05273	0.5
121.02837	1.0
123.04440	0.3
127.03924	0.4
135.04422	3.1
137.02341	3.1
137.03413	0.3
145.02850	2.0
147.04411	79.9
148.04764	1.3
149.02351	0.4
153.01831	3.6
155.04874	0.2
161.06007	0.3
163.03909	13.0
165.01830	1.8
165.05502	1.0
166.02629	0.3
166.16040	0.1
172.10590	0.1
173.05998	0.4
183.02899	0.8
183.04376	0.2
186.27957	0.1
187.03964	0.2
191.03389	0.2
195.02820	0.2
201.05492	1.7
205.04860	0.2
213.05609	0.3
219.02766	0.1
219.06612	0.2
228.04163	0.2
229.04961	4.3
239.03467	0.2
246.05330	0.1
247.05975	0.7
257.04459	2.7
265.03491	0.4
274.04718	0.9
275.05475	0.1
285.03979	1.3
287.11386	0.1
291.08633	4.5
302.04059	0.2
303.04990	100.0
304.05328	2.4
307.08118	0.2
308.42770	0.1
309.09717	3.0
325.09274	0.4
345.06097	0.6
359.05353	0.1
546.64349	0.1
589.05902	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
64.62810	0.2
65.03941	1.6
68.27238	0.2
68.99803	0.6
69.03428	1.1
71.01793	0.4
79.05508	0.2
80.47636	0.2
81.02978	0.3
81.03428	3.7
84.48561	0.2
85.02919	0.9
89.03922	1.7
91.05486	10.0
95.04982	0.3
97.02876	0.5
99.00821	0.9
99.04471	0.3
99.82986	0.2
102.84550	0.2
107.04962	0.6
109.02881	1.6
111.00819	0.8
115.39500	0.2
117.03382	1.6
119.04952	22.7
120.05248	0.4
121.02868	0.8
123.04450	0.2
127.03950	0.6
135.04439	3.4
137.02345	3.4
145.02876	2.5
147.04420	86.7
148.04741	1.4
149.02402	0.3
153.01822	3.6
161.05917	0.3
163.03920	17.0
164.04239	0.4
165.01828	1.8
165.05492	1.0
166.02676	0.3
183.02914	0.8
185.06099	0.2
187.04008	0.4
195.03043	0.2
195.71683	0.2
201.05482	1.9
219.03116	0.2
219.06464	0.4
229.04977	4.2
229.08565	0.4
246.40465	0.2
247.06093	0.7
257.04416	2.5
265.03540	0.5
274.04852	0.6
285.03946	1.4
287.05527	4.1
291.08664	4.2
303.05008	100.0
304.05356	2.9
307.08313	0.4
309.09778	3.5
325.09436	0.3
345.05688	0.6
451.35968	0.2
650.73566	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03386	1.2
71.04993	10.7
71.08059	0.4
71.08392	0.8
73.02872	0.7
78.34136	0.4
81.03366	1.7
83.04919	0.5
84.53261	0.3
85.02906	12.2
93.03355	0.5
95.04933	0.5
97.02856	0.7
109.02838	0.8
111.04395	0.5
119.04903	0.4
121.02892	2.9
123.04348	0.9
127.03909	1.7
129.05452	2.4
137.02353	27.7
137.03394	2.7
145.02859	0.4
147.04428	1.8
147.06511	0.4
153.01802	0.4
161.02298	1.0
161.05878	1.3
163.03873	2.0
175.03865	0.9
184.20244	0.4
187.03897	1.3
191.03304	0.7
197.02376	0.5
199.03876	0.9
203.03404	11.3
207.02945	3.2
213.05487	0.7
215.03377	3.9
217.04837	0.4
219.02843	0.7
225.01855	2.9
225.05458	0.4
227.03453	1.9
229.04988	0.9
235.07556	0.6
239.03442	0.6
241.01300	0.8
241.04892	0.5
243.02875	8.2
244.03604	0.7
245.04323	0.7
253.04939	0.9
257.04428	1.3
261.03964	1.3
263.07056	1.9
265.05075	0.6
269.04370	0.5
271.02454	2.8
273.03723	0.5
273.05380	1.4
281.04514	0.8
287.05276	2.1
289.03412	3.7
291.06528	4.0
301.04898	1.4
303.05087	1.4
309.07657	1.4
313.03381	0.4
315.06427	0.4
319.06018	4.5
327.04996	0.8
337.07147	2.2
345.07419	0.5
347.05481	3.7
349.07135	0.9
361.07266	0.6
363.08643	1.1
365.06531	4.8
375.05017	2.5
376.05814	0.8
377.06705	1.1
382.06772	0.6
389.06573	4.0
392.05164	0.9
393.06042	62.1
394.06522	2.3
399.82648	0.4
403.04282	1.7
405.05865	0.7
409.05313	0.5
410.06262	3.5
411.07062	3.8
417.05856	0.8
419.07617	9.5
421.05536	100.0
422.05814	2.8
423.07437	0.5
431.07690	0.5
437.08484	0.9
445.05600	7.1
446.06183	0.4
449.08734	0.9
459.07495	0.8
463.06601	21.4
464.07092	0.7
477.08206	0.6
481.07642	0.5
495.09198	8.8
539.08221	62.7
540.08643	2.2
583.07184	59.3
584.07446	2.5
843.16400	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98172	0.4
65.03925	0.5
67.91885	0.4
69.03407	1.0
70.81088	0.4
71.01305	0.6
71.04999	11.9
71.29978	0.9
75.04420	0.7
81.03359	1.8
83.04950	0.7
85.02911	13.4
91.05453	0.6
97.02856	1.1
101.30814	0.4
109.02872	0.5
111.04369	0.8
119.04897	0.6
121.02882	2.2
123.04376	1.3
127.03865	1.5
129.05374	1.3
137.02354	25.9
137.03391	2.4
147.04379	2.9
147.06384	0.4
161.02309	0.9
161.05943	1.8
163.03847	1.5
167.18861	0.4
171.04306	0.6
175.03877	1.4
176.04605	0.5
177.05540	0.5
187.03819	0.7
191.03372	1.0
197.06056	0.6
199.03862	1.3
200.04529	0.6
203.01486	0.7
203.03395	12.1
207.02913	3.7
211.03822	0.7
213.05348	0.5
215.03409	4.0
219.02895	1.1
221.06157	0.6
223.07567	0.5
225.01895	2.6
227.03419	2.5
229.04936	1.4
235.07466	0.9
239.03322	0.7
243.02902	8.7
244.03485	0.5
245.04376	0.9
253.05043	0.8
255.02876	0.8
257.04437	1.1
261.03891	1.2
263.07016	1.8
267.06265	0.6
269.04428	0.8
271.02408	3.7
273.05783	0.8
277.04739	0.4
281.04410	0.6
281.07898	0.7
282.91345	0.5
285.04028	0.8
287.05533	1.8
289.03445	3.7
291.06519	4.2
295.05981	0.5
301.04898	2.0
302.04193	0.6
303.05008	1.6
309.07535	1.9
319.06021	5.3
323.05438	0.5
327.04971	0.6
329.04419	0.6
337.07126	2.5
347.05460	3.6
349.07053	0.6
361.06812	0.5
363.08539	0.9
365.06528	6.2
373.07394	0.7
375.04865	2.1
376.05676	0.8
377.06442	1.1
388.05331	0.5
389.06561	4.0
391.08032	0.6
392.05545	0.9
393.06058	59.8
394.06497	2.0
403.04138	2.1
405.06009	0.6
410.06384	4.2
411.07147	3.6
417.05905	0.9
419.07709	8.1
421.05548	100.0
422.05750	2.7
423.07144	0.8
431.07367	0.8
437.08676	0.8
445.05585	5.9
459.06876	0.9
463.06619	20.1
464.07114	0.8
477.08115	0.7
495.09195	10.0
539.08234	59.1
540.08789	2.4
583.07227	57.0
584.07147	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	890.5259
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03946	2.3
67.05509	34.6
69.03440	5.6
69.07076	8.1
69.44170	1.9
69.44576	5.6
71.04998	2.8
72.32870	0.9
73.06551	1.4
77.03913	1.5
79.05497	65.5
81.03423	18.9
81.07064	31.9
83.04991	9.2
83.08609	5.9
85.02903	12.5
85.06545	2.4
91.05487	55.2
93.07050	79.3
95.04974	19.0
95.08611	18.6
97.02930	5.2
97.03432	1.0
97.06537	3.9
97.10163	3.4
99.04486	1.9
103.05457	1.4
104.89018	1.0
105.04527	2.5
105.07039	39.2
107.04973	5.3
107.08611	15.5
109.02889	14.4
109.06518	5.8
109.10162	3.0
111.08096	1.6
117.07024	8.8
119.08592	23.9
121.06506	4.1
121.10152	2.6
123.08054	4.4
127.03920	41.5
127.07566	2.0
128.06238	3.0
129.06139	1.7
129.07013	20.8
129.13016	1.1
131.08597	3.5
133.06482	1.7
133.10127	9.2
135.11656	2.4
141.09160	1.5
143.08568	10.6
145.04951	1.8
145.10138	13.2
147.08025	2.4
147.11693	49.4
159.11723	1.7
161.09637	5.6
161.13275	12.9
171.11702	34.4
179.14230	1.1
181.94897	1.1
183.50250	1.0
189.12733	16.0
207.13821	100.0
208.14215	1.4
225.14865	14.6
241.57236	1.2
263.16495	1.5
267.15912	2.7
281.17493	33.0
282.71423	1.2
333.17026	3.7
351.18042	32.2
369.19131	14.1
469.30072	1.8
487.30566	73.4
488.30893	3.8
577.43640	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4973
Annotation	Unknow
Peak:m/z	Relative Intensity
62.75091	0.3
67.05509	1.5
69.03433	3.8
69.07071	0.5
69.81344	1.9
71.01357	0.4
71.05012	0.8
71.08648	2.2
71.08995	0.3
73.02920	4.0
74.86113	0.3
79.05515	1.0
80.59420	0.3
81.03425	2.4
81.07067	2.3
83.08638	1.2
85.02914	8.2
85.10204	0.9
87.04486	0.4
91.03970	4.0
91.05501	1.3
93.07060	1.0
95.04968	0.7
95.08598	2.0
97.02900	5.8
97.10262	0.4
98.20802	0.5
99.04494	1.0
101.02418	1.9
105.07040	0.9
107.08609	0.4
109.02882	0.6
109.10185	1.4
115.03989	0.8
119.08545	0.4
123.11682	0.4
127.03893	1.9
145.04977	0.5
147.11725	0.6
149.09648	0.5
173.71042	0.3
175.11287	0.4
185.04286	0.8
189.21640	0.3
191.08188	0.4
193.12285	0.5
203.05441	0.5
234.82188	0.4
239.24046	0.6
243.08479	1.8
246.18098	0.3
251.12743	1.0
295.32538	0.4
313.27548	1.4
337.59393	0.3
347.09741	2.6
363.09177	0.7
365.10736	0.5
405.13638	5.2
469.20447	3.9
497.30820	7.6
631.25726	3.7
659.36133	7.1
725.44873	2.0
887.49774	100.0
888.49805	5.6
888.66388	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5329
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03921	2.2
65.93992	1.0
67.05515	38.6
68.50303	1.0
69.03432	2.8
69.07076	13.2
69.33038	1.0
69.33372	9.4
71.04994	3.1
72.23949	0.9
73.02915	1.5
75.36324	1.2
79.05062	1.8
79.05504	32.9
79.63125	1.0
81.03417	2.8
81.07066	55.3
82.19385	1.0
83.04996	3.1
83.08631	8.3
85.02904	8.1
85.06545	2.2
90.43074	1.1
91.03940	3.9
91.05485	17.7
93.07056	40.2
95.04966	3.8
95.08615	26.6
97.02890	2.9
97.06526	4.8
97.10174	2.3
98.21581	1.4
103.64860	1.1
105.07056	9.5
107.08608	20.8
109.06502	1.2
109.10147	7.6
111.08099	4.2
117.07043	5.7
117.07739	1.2
119.08575	8.3
121.06548	1.4
121.10148	18.3
123.08089	1.1
123.11710	3.7
127.03914	1.5
131.08588	9.0
133.10156	7.4
135.08000	1.0
135.11687	9.0
145.04962	1.7
145.10115	3.2
147.11694	2.8
149.13272	15.9
159.11703	9.4
161.13213	1.8
163.06033	1.5
163.14932	1.1
173.13336	1.6
177.12686	2.5
187.14752	0.9
195.13831	3.4
203.00761	1.1
243.21147	2.2
253.50586	1.1
261.22186	8.5
267.16107	1.2
269.17487	38.8
275.95224	1.0
284.43707	1.0
317.24860	1.7
335.25827	43.2
373.91107	1.1
455.35049	1.1
463.70065	1.4
468.87750	1.0
523.47211	1.1
529.38928	100.0
530.39172	4.9
547.39941	2.4
699.61865	1.2
888.49994	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.443
Annotation	Unknow
Peak:m/z	Relative Intensity
65.90935	1.0
67.05512	10.5
68.99802	9.8
69.03426	1.7
69.07080	5.1
69.90077	3.5
79.05500	6.7
81.03424	2.1
81.07069	13.2
83.01345	1.6
83.04992	1.5
83.08617	3.6
88.68761	0.9
89.03931	1.2
91.05499	5.6
93.07053	9.5
95.04963	1.9
95.08608	9.0
97.06544	3.0
97.10174	1.7
105.07031	6.4
107.04964	2.0
107.08616	6.4
109.02884	3.5
109.06512	1.3
109.10175	3.9
111.00832	4.8
111.04478	2.7
111.08102	1.7
115.05485	1.9
117.03401	3.4
117.07018	2.9
119.08568	4.8
121.06526	1.2
121.10132	3.8
123.04450	2.1
123.08110	1.6
123.11725	1.3
125.05962	1.0
125.09680	1.6
127.03918	1.1
131.04904	2.7
131.08582	3.1
133.06458	1.1
133.10129	3.3
135.04436	7.7
135.08072	2.0
135.11656	1.7
137.05984	3.7
137.09637	1.9
139.03893	4.4
139.07571	1.6
141.01833	1.7
143.04956	3.0
143.08557	1.0
145.02856	7.6
145.06525	3.1
145.10181	1.4
147.04408	1.1
147.08017	1.5
147.11684	2.0
149.05994	2.2
149.09630	1.6
149.13274	2.8
151.03906	3.7
153.05457	2.7
155.04948	6.7
155.06018	1.4
157.10130	1.8
159.04431	1.7
159.11729	1.6
161.05991	3.7
161.09615	2.0
161.13306	2.0
163.03923	100.0
163.11156	1.4
163.14890	1.0
165.05473	1.0
167.07098	1.2
168.29552	1.2
173.05981	5.6
173.13264	1.6
175.14804	2.0
177.05487	2.0
183.04454	6.0
187.03946	4.9
189.16481	1.0
191.14348	1.3
197.06087	0.9
199.14888	1.8
201.05461	13.6
203.14320	1.2
205.04935	2.2
209.15451	3.7
211.03934	3.8
217.05043	5.2
217.15883	2.7
219.06569	6.4
221.15353	1.5
223.13297	1.3
229.04991	5.4
237.14818	2.1
247.06056	71.4
248.06496	1.7
251.16435	5.4
259.06049	23.0
263.16412	12.9
265.14429	2.9
265.17984	1.9
277.18106	3.2
279.15872	6.4
282.54974	1.0
293.17490	1.2
324.01251	0.9
339.17841	1.3
353.19727	6.9
387.29230	1.1
411.28961	2.7
425.19638	17.4
429.30170	6.9
439.21143	2.6
439.28650	2.7
457.29529	44.4
458.29987	2.1
475.30316	9.3
499.23306	20.7
503.34506	0.9
506.33298	1.2
513.24768	3.5
516.57953	1.1
517.24310	1.7
531.33234	59.4
532.33105	2.7
549.34161	6.5
578.66956	1.0
605.27362	1.3
605.36902	23.7
606.36804	1.1
623.38080	11.2
763.73096	0.9
777.37543	2.2
867.40393	0.9
869.43994	1.1
887.44110	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03915	1.0
69.23867	2.7
69.24290	5.2
77.04791	0.8
91.05472	5.1
95.70054	0.7
97.49258	0.7
105.07022	3.0
108.08125	1.2
119.04953	8.6
121.06504	3.0
122.09655	5.8
124.07559	0.7
133.06500	13.0
136.07561	1.1
147.04414	24.0
161.05988	3.1
164.07074	2.7
179.07045	4.6
185.10771	1.1
199.12376	4.2
200.11354	0.9
200.12978	4.5
218.10429	1.4
219.11243	0.9
225.10182	3.6
226.11073	3.2
241.13350	12.9
243.11304	4.3
245.12816	1.4
258.13565	2.3
259.14435	82.3
260.14832	1.3
269.09195	2.4
279.17300	1.5
284.11447	1.2
285.12341	37.6
288.52600	0.9
291.13528	1.0
292.14514	1.7
293.19000	1.6
304.14468	0.9
305.15164	0.8
306.16022	1.6
307.16980	1.3
310.11923	0.7
310.15329	1.2
318.12524	1.2
319.16898	2.3
320.17599	4.3
321.18344	3.9
322.12292	1.4
322.15552	3.0
322.19049	1.2
323.16168	1.3
334.18979	2.3
336.13434	4.7
336.17270	3.1
346.15509	1.5
347.16492	1.2
348.13373	1.8
349.14377	1.1
350.14975	9.2
351.15927	2.4
352.16202	1.3
352.20193	14.3
362.11380	1.4
362.18732	3.7
363.16174	1.0
364.16544	4.4
365.17340	8.6
366.18121	3.4
367.18942	1.3
376.12860	5.9
377.13770	3.9
378.14371	1.0
378.18222	8.2
379.18762	1.0
380.19705	81.9
381.20233	3.8
382.21280	36.8
390.14340	2.3
391.15198	3.3
393.16910	2.7
406.17618	41.4
407.17953	2.4
408.19318	10.8
410.20874	2.4
411.18115	1.6
424.18570	1.0
425.19562	9.0
426.20236	100.0
427.20685	3.6
433.77130	0.8
436.18683	7.5
451.17230	1.0
452.18192	16.4
456.21063	1.3
482.19147	3.4
546.63550	0.9
573.26917	2.6
590.24780	1.7
604.26575	22.5
619.27936	4.6
630.24640	4.4
634.27612	42.6
635.27411	2.4
635.92932	0.9
648.25549	35.3
649.25702	1.5
660.25537	12.6
661.25787	1.3
674.23407	9.7
678.26593	74.9
679.26685	4.2
692.24353	2.5
704.24542	30.4
705.24829	2.2
718.21802	1.1
722.25470	11.9
748.23486	7.0
767.32642	2.4
797.33875	5.6
811.31348	3.0
841.32715	9.6
885.31244	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	885.4819
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05513	1.3
69.03434	3.7
69.07076	0.8
71.05000	0.6
71.08636	1.9
73.02924	4.2
79.05518	0.9
81.03424	2.3
81.07043	2.5
83.08648	1.2
85.02913	6.1
85.10192	1.2
87.04493	0.6
91.03965	4.4
91.05524	0.5
93.07056	0.8
95.08598	2.2
97.02899	6.9
97.03499	0.4
97.10214	0.4
99.04497	1.2
101.02406	1.6
105.07064	0.6
107.08650	0.4
109.02919	1.2
109.10168	0.8
115.03975	0.8
119.08564	0.5
127.03945	2.2
145.05060	0.5
151.11363	0.4
163.11273	0.9
185.04282	0.7
203.05424	0.6
243.08316	1.8
305.13925	0.4
313.27533	1.4
314.27771	0.5
347.09540	1.7
361.92825	0.4
363.08957	0.4
365.10742	1.0
381.47812	0.4
405.13721	4.2
467.19022	5.1
479.89706	0.4
497.30875	4.9
508.22876	0.4
629.24152	3.1
659.36108	7.4
723.43121	1.5
885.48175	100.0
886.48407	5.9
919.44135	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23843	3.4
69.24259	6.6
80.82854	1.0
91.05479	6.1
93.07036	0.9
98.21436	2.1
105.07027	2.7
119.04958	13.7
121.06501	1.9
122.09684	6.6
123.10040	1.4
133.06497	7.7
136.07597	1.5
147.04424	40.7
149.59770	0.9
164.07089	2.9
179.07051	3.3
197.10942	1.1
199.12340	4.4
200.13113	2.5
225.10268	9.7
226.11067	9.0
241.13351	14.5
243.11398	1.9
258.13705	3.0
259.14456	54.8
263.10562	1.3
269.09280	4.1
270.09979	1.9
278.13065	1.3
284.11603	3.7
285.12354	100.0
286.12671	3.6
304.14261	1.1
305.15567	1.5
310.12112	2.4
310.15390	1.9
318.12671	1.1
318.15903	1.6
319.16931	3.7
320.17603	2.5
321.18317	1.8
322.11841	1.2
322.15347	1.4
332.14151	1.3
334.15567	1.2
334.19214	2.5
336.13361	3.8
336.17062	2.1
346.15656	1.4
347.16409	2.8
348.13351	2.3
350.15033	7.9
351.15759	2.2
352.16733	1.1
352.20331	7.7
362.11230	3.1
362.14969	3.3
362.18826	3.1
363.16544	1.0
364.16635	3.4
365.17496	4.0
366.18008	3.1
376.12918	13.7
377.13632	5.7
378.18195	14.6
379.19083	1.1
380.19714	55.3
381.20096	2.6
382.21292	22.3
390.14215	4.6
391.15189	11.8
392.15594	1.2
393.16983	1.2
406.17642	85.5
407.17838	4.1
408.19205	29.3
410.20819	2.1
425.19424	5.7
426.20242	67.7
427.20599	1.6
436.18665	5.2
451.17142	2.3
452.18192	49.4
482.19263	5.0
589.26483	4.0
604.26678	17.1
619.27356	4.8
620.28967	1.3
630.23956	3.2
634.27728	30.9
648.25513	27.6
660.25543	6.9
674.23456	46.5
675.23785	1.9
678.26575	58.9
679.26392	3.7
692.24103	1.8
704.24554	61.0
705.24652	3.3
718.22089	1.8
722.25671	9.5
748.22815	2.1
767.32062	1.6
797.33990	5.3
811.31897	20.9
812.32135	1.8
841.32715	24.6
885.31683	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
61.75887	0.5
65.03944	0.6
69.69354	0.5
71.56831	0.8
76.45692	0.5
87.71141	0.5
91.05484	3.3
105.07012	1.0
106.06544	0.4
107.07317	0.7
119.04938	8.4
121.06441	0.8
122.09679	2.7
133.06509	4.7
147.04416	31.2
148.04684	0.6
161.06010	1.3
162.09111	0.5
179.07033	1.7
185.07184	0.6
197.10828	0.8
199.12262	0.6
211.08701	1.0
225.10251	8.0
226.11028	6.9
239.11798	0.8
241.13365	6.7
244.08238	0.6
259.14377	1.6
263.10574	1.3
269.09186	3.9
270.10028	0.8
277.12100	0.7
284.11618	4.3
285.12347	100.0
286.12689	1.8
290.12881	1.1
304.14542	1.3
305.15222	0.5
310.11862	3.2
318.12280	1.8
318.15881	1.2
319.16809	4.3
322.11826	2.6
331.12985	0.7
332.14011	1.2
334.11758	1.3
334.15445	0.7
334.19116	1.3
336.13687	2.4
346.15634	2.7
347.16486	2.3
348.13406	3.4
349.14081	1.2
350.14905	1.3
352.20389	0.5
362.11172	3.2
362.15491	2.3
362.18768	1.5
363.16138	1.1
364.16583	1.4
376.12939	13.9
377.13620	4.9
378.14474	0.8
378.18149	17.0
380.19733	1.3
387.13235	1.0
390.14496	3.6
391.15292	12.6
392.16068	1.0
404.16092	1.2
406.17624	83.9
407.18005	4.5
408.19211	23.0
424.18741	1.3
426.20236	1.9
428.12149	0.5
434.17468	0.5
436.18823	3.2
451.17361	2.0
452.18201	53.8
453.18506	2.0
464.18475	0.6
482.19363	4.6
577.13110	1.3
589.26617	3.0
603.27826	1.2
619.27441	3.0
630.24274	3.0
660.25543	7.5
674.23431	38.7
675.23621	2.0
676.25128	0.6
678.27124	0.9
704.24512	51.9
705.24548	3.1
718.22272	0.8
748.23914	2.6
767.32690	0.9
797.34204	3.8
811.31842	14.8
812.31647	1.1
823.31299	1.9
841.32843	25.1
842.33240	1.9
885.32184	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	883.208
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03954	1.4
67.05539	1.4
68.99783	8.4
71.04977	1.2
71.55459	1.5
72.70047	1.0
79.05496	1.3
81.03387	2.9
85.02936	1.3
89.03915	2.3
95.04978	2.9
99.04498	1.9
103.05470	1.4
107.04953	5.5
109.02910	3.3
111.00797	8.6
111.04450	9.4
117.03381	2.0
121.02903	2.2
123.04434	46.6
127.03926	100.0
128.04218	1.3
131.04974	3.4
133.02820	1.3
135.04425	69.6
137.02341	7.4
139.03911	77.1
141.66008	1.1
145.06491	2.2
147.04445	3.7
149.02397	8.7
149.05984	4.0
149.34998	1.1
151.03918	17.1
155.04973	3.5
157.29601	1.4
159.04468	4.9
160.04677	1.2
161.05994	2.9
163.03920	70.3
164.04475	1.2
165.05455	2.3
165.06900	1.0
167.03455	5.7
169.04984	4.2
169.06459	2.2
173.06024	5.0
175.03969	4.1
177.01881	1.3
177.05518	6.8
179.03407	9.4
180.22775	1.1
181.04964	3.3
181.06467	1.5
183.04466	2.8
185.06009	2.4
187.03844	6.3
189.05466	3.5
191.03430	9.7
197.05972	5.6
199.03926	1.6
201.05498	8.2
203.03433	12.9
203.07092	3.3
205.04982	4.5
211.03987	1.3
213.05458	4.2
215.03439	3.1
215.07063	4.1
215.33160	1.2
217.04932	2.8
219.06761	1.4
223.02487	1.2
225.05441	2.1
229.04996	16.0
231.06572	4.4
233.04504	4.7
237.05550	1.4
241.04939	3.2
243.06622	5.6
245.04474	53.8
247.06032	70.5
248.06367	2.2
249.05632	1.2
253.05058	3.0
255.06561	4.3
257.04486	19.7
258.04846	1.7
259.06039	11.7
261.07611	3.8
263.05560	1.9
265.05029	1.3
267.06595	1.9
269.04510	4.3
271.06003	28.4
273.07675	1.4
274.04828	2.1
275.05527	20.8
281.04443	2.2
283.06030	14.3
285.03986	3.2
285.07458	1.2
287.05539	30.1
288.05829	5.7
289.07077	39.0
290.07626	1.4
291.25256	1.3
295.06049	2.5
297.03992	2.0
297.07321	1.7
299.05502	6.7
301.07123	16.6
303.05176	1.8
307.08252	16.0
309.04086	2.4
311.05588	2.2
313.07162	2.8
323.05518	3.2
331.08243	1.7
351.05014	3.2
361.06879	1.7
365.06592	2.7
377.06555	2.3
379.08090	2.6
383.07742	2.5
389.06506	2.1
391.08212	1.5
393.06064	3.2
395.07748	1.6
397.09247	5.2
401.94724	1.5
405.06000	4.0
407.07675	23.5
409.09213	22.3
417.06082	1.5
419.07526	4.3
421.09216	2.8
425.08679	15.0
427.10336	15.0
433.09174	2.8
437.08713	9.9
443.09692	8.8
449.08603	3.0
451.10114	4.4
517.11163	3.3
527.09668	3.1
535.11505	2.8
541.11621	1.4
545.10626	4.3
561.10297	4.1
575.11365	3.3
587.11749	1.7
605.12518	1.6
695.13617	2.2
713.14532	5.1
731.15460	2.2
879.06830	1.4
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
65.03941	0.5
67.05508	13.4
69.03433	2.5
69.07069	7.0
70.23687	1.1
70.53400	0.3
71.05004	2.1
71.08634	15.0
73.02914	2.8
79.05493	10.4
81.03419	25.2
81.07058	16.9
83.04984	6.4
83.08622	13.7
85.02904	17.4
85.06512	1.2
85.10184	8.5
87.04445	0.7
88.35804	0.3
89.06008	0.9
91.03963	4.7
91.05483	12.1
93.06483	0.3
93.07051	6.5
95.04379	0.5
95.04971	10.5
95.08612	13.5
96.08895	0.6
97.02292	0.3
97.02890	5.3
97.06528	1.5
97.10168	4.2
98.21358	0.4
98.24938	0.3
99.04441	0.7
99.08059	0.8
99.11722	0.5
103.07561	0.6
105.07035	8.1
107.04957	2.9
107.08601	3.2
109.02888	0.4
109.06524	1.8
109.09472	0.3
109.10165	6.1
111.04404	0.9
111.08090	4.2
111.11705	0.7
113.05988	0.7
114.37621	0.3
115.05426	0.5
117.06988	0.9
117.09144	0.4
119.08580	8.0
121.06496	0.8
121.09424	0.4
121.10145	4.1
123.08028	1.0
123.11707	2.6
125.09619	1.0
127.03947	1.5
127.07584	0.5
129.07018	4.6
131.08569	5.0
133.06532	1.7
133.09261	0.3
133.10139	5.0
133.86850	0.3
134.10335	0.3
137.09567	0.8
137.13237	1.0
142.07764	0.9
145.04942	1.6
145.10101	1.3
146.92883	0.3
147.08003	1.5
147.11697	7.0
149.09625	3.0
149.13158	0.4
152.17258	0.3
157.10129	5.9
163.06021	2.0
163.11142	0.7
165.12785	0.9
175.11197	7.1
193.12247	18.6
211.13300	21.4
212.13622	0.5
239.23645	1.5
249.14957	0.4
257.24774	1.4
267.12997	0.4
267.15927	12.8
285.16968	35.0
286.17261	0.5
313.27365	68.2
314.27664	1.9
343.59857	0.3
505.38870	18.7
506.39453	0.7
523.39948	100.0
524.40356	4.4
667.44781	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5417
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	1.1
67.05173	1.5
67.05508	20.9
69.03432	4.4
69.07073	8.8
71.04977	3.5
71.08633	16.6
73.02905	3.3
79.05502	15.4
81.03419	34.7
81.07057	22.2
83.04989	9.8
83.08620	21.0
85.02905	19.4
85.06537	1.7
85.10185	9.8
87.04446	0.9
89.06009	1.9
91.03966	7.0
91.05486	18.9
93.07042	10.7
95.04973	15.0
95.08604	17.6
97.02898	7.0
97.06523	2.9
97.10180	5.9
98.21495	2.7
99.04430	1.3
99.08163	1.2
105.07032	11.5
107.04939	3.2
107.08602	4.4
109.06509	3.0
109.10162	7.6
111.04436	1.7
111.08069	7.0
113.06021	1.4
115.05473	0.8
117.07055	1.9
119.08580	10.1
120.66679	0.8
120.81323	0.8
121.06525	1.1
121.10166	5.5
123.08020	2.2
123.11694	3.1
125.09635	1.1
127.03988	1.9
129.07018	7.4
131.08560	8.1
133.06479	1.5
133.10158	6.7
133.90089	0.9
137.13271	1.3
140.01329	0.9
140.84996	0.8
141.46979	0.9
142.07816	0.9
145.04965	2.7
145.10129	2.5
147.08041	2.2
147.11699	9.5
149.09621	4.8
157.10143	9.4
163.05969	2.7
163.11180	1.8
165.12743	1.6
175.11191	11.0
185.13168	0.9
193.12245	27.1
211.13310	41.4
239.23698	1.5
257.24789	1.4
267.15921	14.9
283.15521	1.2
285.16974	56.8
313.27377	64.4
314.27631	1.9
399.30246	0.8
432.12280	0.9
479.21362	0.9
505.38870	15.3
506.38638	1.1
523.39948	100.0
524.40521	4.1
524.47272	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
62.53758	0.2
66.74295	0.2
68.99798	1.9
69.63916	1.4
77.03912	0.4
79.05489	0.3
81.03400	0.6
85.02898	0.3
89.03902	0.3
93.03405	0.3
95.04993	0.3
103.05494	0.3
105.07036	0.2
107.04957	0.8
109.02902	0.3
111.00803	1.1
111.04422	0.6
115.05443	0.3
119.04922	0.3
121.02104	0.2
121.02828	1.1
123.04439	5.7
125.02345	0.2
127.03931	5.6
129.06967	0.4
131.04941	0.7
133.02811	0.2
134.14053	0.2
135.04427	5.1
137.02350	9.9
137.03381	0.7
139.03914	13.8
141.07016	0.3
143.04865	0.5
145.02800	0.3
145.06494	0.5
147.04428	1.9
149.02348	5.2
149.06003	0.7
151.03912	2.3
153.01834	3.3
155.03448	1.1
155.04825	0.4
157.06503	0.8
159.04437	1.1
161.02328	0.4
161.05986	1.2
163.03918	8.7
165.01877	0.6
165.05460	0.3
167.03381	0.7
167.04790	0.3
169.06456	0.4
171.04399	0.5
173.05962	1.0
175.03915	2.5
177.01851	0.4
177.05438	1.3
179.03436	1.3
181.04970	0.7
181.06471	0.4
183.04387	0.4
185.05991	2.2
187.03906	1.6
189.05487	1.7
191.03372	1.5
193.04974	0.9
195.04575	0.3
195.06474	0.5
197.05966	0.9
199.03925	1.1
201.05525	1.8
203.03415	5.1
203.07037	1.0
205.05000	1.0
207.02922	0.4
213.05464	3.9
215.03430	0.8
215.07004	0.3
216.04222	0.3
217.04897	1.3
219.06573	0.3
221.04413	0.4
225.05531	0.6
227.03394	0.9
227.07097	0.5
229.01276	0.3
229.04988	3.3
231.06552	4.9
233.04439	0.8
237.05504	0.7
241.04968	3.0
242.05724	0.3
243.03032	0.4
243.06532	0.6
245.04446	4.5
247.06027	7.7
251.05530	0.4
253.04979	0.7
255.06511	1.0
257.04471	17.4
258.05197	1.8
259.06027	8.2
260.06415	0.3
261.07343	0.3
265.05014	0.7
267.06549	0.4
269.04440	3.3
271.06027	3.7
273.04575	0.3
273.07632	0.9
275.05420	1.4
279.06631	0.4
281.04434	1.0
283.06046	4.5
285.04007	1.4
285.06900	0.3
286.04898	0.3
287.05515	100.0
288.05847	1.9
289.07037	2.3
293.04745	0.4
295.06036	0.5
297.04205	0.5
297.07571	0.5
299.05432	1.5
301.07016	6.7
307.05835	0.3
309.04019	0.4
309.07516	0.3
311.05383	1.6
315.05643	0.4
319.08215	0.8
321.07755	0.5
323.05576	0.8
325.07159	0.3
327.05072	0.4
333.07697	0.4
335.05389	0.4
337.07083	0.2
345.07547	0.4
351.04810	0.4
361.07047	1.0
365.06461	0.6
373.07172	0.8
375.08789	0.3
377.06653	1.1
379.08133	0.6
389.06699	1.5
391.08081	1.0
393.06097	0.8
395.07748	1.5
403.08441	0.5
405.05798	0.4
407.07681	3.5
409.09183	2.5
413.08725	3.9
416.79327	0.2
417.05988	0.9
419.07733	1.0
425.08710	8.1
427.10306	5.2
431.07416	1.1
435.07452	1.0
437.08539	0.5
443.09869	1.2
447.07086	1.2
449.08801	1.7
451.10199	0.7
455.10040	0.4
485.28824	0.2
515.09497	0.4
525.08160	0.9
533.10797	15.0
534.10864	0.5
539.10266	0.4
543.01752	0.4
543.09277	5.7
544.10004	0.4
549.74811	0.2
552.62494	0.3
555.09064	0.7
557.11029	1.6
561.10480	1.6
569.10840	0.9
573.10394	2.2
575.11780	0.5
585.10229	0.6
603.10748	0.3
677.12964	0.6
693.12231	0.7
695.14130	2.1
710.08942	0.2
711.01062	0.4
711.13489	7.2
712.13995	0.6
729.14551	6.8
730.14893	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5266
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	7.7
61.84552	0.3
65.03915	0.7
67.05510	9.6
69.03399	1.5
69.07075	4.8
71.04996	2.1
71.08639	12.6
73.02927	2.6
73.30502	0.3
79.05499	9.0
81.03427	5.9
81.07063	14.2
83.01340	4.9
83.04986	5.5
83.08625	9.2
85.02912	11.7
85.06511	1.0
85.09728	0.4
85.10185	7.1
89.06018	0.9
91.03972	5.2
91.04979	0.5
91.05483	6.3
93.07050	11.1
95.04979	3.6
95.08614	12.0
97.02899	7.2
97.06528	2.2
97.10175	3.5
99.04475	1.5
99.11706	0.8
103.07573	0.8
105.07032	4.0
107.04963	4.5
107.08603	6.0
109.02843	0.5
109.06528	3.3
109.10168	5.3
111.04414	1.3
111.08045	0.8
111.11678	0.6
115.03894	0.5
115.05399	0.5
116.07246	0.3
117.07021	2.7
117.09066	0.3
117.87197	0.3
119.07901	0.4
119.08588	3.9
121.06544	2.2
121.10151	3.4
123.08084	4.6
123.11671	1.1
125.05966	0.7
125.09631	0.7
125.13207	0.3
127.03938	2.9
129.05537	0.5
129.06941	0.7
131.08583	1.9
133.10097	1.3
135.08006	1.1
135.11697	6.7
137.09610	0.7
137.13196	0.4
141.05603	0.3
145.04927	3.6
145.06393	0.6
145.10135	8.3
147.07990	0.8
149.09604	0.9
153.12755	1.6
155.08525	0.9
163.06032	3.7
163.11198	13.7
173.09612	1.7
181.12206	1.8
191.10629	1.4
209.11758	3.4
227.12762	2.1
239.23700	1.4
257.24841	1.7
269.04193	0.4
283.15414	100.0
284.15775	2.1
313.27377	71.8
314.27625	1.8
389.95282	0.3
407.39771	0.4
417.66623	0.4
521.38428	54.5
522.38672	2.4
711.54938	0.4
881.48822	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5263
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	4.2
67.05512	14.2
69.07066	7.0
69.25815	3.7
69.26235	10.5
71.05001	1.9
71.08634	19.4
73.02909	2.9
79.05489	10.2
81.03413	3.1
81.07064	19.8
83.01335	2.1
83.04990	1.8
83.08617	11.2
85.02900	5.3
85.10176	11.8
91.03952	3.5
91.05492	7.6
93.07051	16.8
95.04973	5.1
95.08607	23.3
97.02908	4.4
97.06519	2.0
97.10181	4.4
99.04486	3.1
103.07555	1.4
104.64830	1.3
105.07036	7.0
107.04968	4.6
107.08578	10.6
109.06551	2.9
109.10169	8.5
111.04431	1.4
117.07020	6.0
119.08600	7.6
121.06523	2.8
121.10161	5.9
123.08062	2.4
123.11705	2.6
125.05998	2.4
127.03899	2.2
131.08536	2.2
133.10127	2.0
135.08133	1.9
135.11702	18.5
145.10143	10.6
146.42474	1.4
163.11191	27.5
173.09610	1.6
181.12250	5.3
209.11755	3.1
226.73369	1.4
227.12770	23.4
239.23674	2.0
253.14128	1.6
257.24655	2.6
283.15396	57.6
313.27386	96.4
314.27808	3.1
353.15988	2.2
371.16925	1.8
521.38397	100.0
522.38727	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	880.5258
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	9.1
64.89975	0.4
65.03918	0.8
66.27522	0.4
67.05505	10.4
69.03400	1.9
69.07068	6.3
69.36765	2.5
69.37172	1.3
71.04955	1.5
71.08634	17.7
73.02918	2.9
79.05496	9.1
79.39331	0.4
81.03426	6.1
81.07063	16.8
83.00931	0.5
83.01341	3.8
83.04560	0.4
83.04982	5.9
83.08620	10.7
85.02909	12.6
85.06512	0.8
85.09718	0.6
85.10184	10.0
89.05986	1.2
91.03967	6.1
91.04977	0.5
91.05481	5.9
93.06487	0.5
93.07047	13.0
95.04974	3.5
95.08611	14.6
97.02890	7.4
97.06530	2.0
97.10177	4.1
99.04420	1.4
99.11709	0.8
103.05435	0.6
103.07558	0.8
105.07025	4.7
106.32807	0.5
107.04955	4.0
107.08604	7.0
109.06502	3.2
109.10157	7.3
111.04436	1.2
111.08059	0.8
111.11700	0.9
115.03917	0.8
117.07058	3.4
119.08590	4.6
121.06492	1.8
121.10142	4.2
123.08076	4.6
123.11694	2.3
125.05983	0.8
125.09633	0.5
127.03940	2.4
127.04663	0.4
129.06982	0.4
130.07762	0.8
131.08568	1.4
133.10094	1.2
135.08011	1.1
135.11694	6.3
137.09584	0.9
137.13240	1.2
139.07510	0.5
145.04979	3.7
145.06091	0.6
145.06425	0.5
145.10127	9.1
147.07964	0.6
153.12727	1.0
155.08537	0.6
163.06021	3.6
163.07312	0.6
163.11188	13.3
173.09636	2.1
181.12231	1.7
191.10687	0.9
209.11734	2.5
227.12752	1.9
239.23706	1.9
257.24765	1.7
283.15408	81.7
284.15833	1.6
313.27368	92.7
314.27856	2.3
521.38397	100.0
522.38538	3.5
530.31769	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
61.38247	0.2
65.03949	1.2
68.91730	0.2
68.99804	0.7
69.03436	1.3
69.19024	0.2
70.76062	0.3
70.76411	0.4
71.01355	0.3
73.02913	0.3
75.51649	0.2
79.05481	0.3
81.03418	3.2
85.02917	1.0
89.03915	0.9
91.05485	9.2
97.02896	0.5
99.00809	2.4
99.04430	0.4
105.03416	0.4
107.04950	0.9
109.02855	1.5
111.00816	0.5
117.03384	1.3
119.04947	20.4
120.05289	0.4
121.02868	2.6
127.03934	0.8
127.05506	0.2
133.02835	0.3
135.04420	2.5
137.02351	0.7
145.02847	1.7
145.04929	0.2
145.06544	0.2
147.04413	73.3
148.04741	1.1
153.01839	3.1
153.02982	0.3
157.06552	0.3
163.03917	10.5
164.04257	0.2
165.01830	1.8
165.05524	0.9
165.06758	0.2
171.04358	0.3
183.02916	0.8
183.07979	0.3
185.06004	0.5
197.05920	0.3
203.06905	0.2
207.08051	0.2
211.07561	0.4
213.05444	1.2
228.07869	0.2
229.08614	1.3
231.06520	0.5
235.07558	0.4
241.04895	0.6
258.05264	1.1
259.05914	0.4
263.06979	0.7
265.03418	0.3
269.04367	0.2
281.08160	0.9
287.05502	100.0
288.05838	2.7
291.08661	3.3
309.10025	2.1
329.06586	0.4
345.04352	0.5
428.85214	0.2
475.03543	0.2
506.97134	0.2
507.92593	0.2
698.79974	0.2
781.04346	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	0.2
65.03931	0.3
68.99783	0.7
69.03436	5.5
71.01361	1.8
71.04984	0.6
71.56135	0.2
73.02924	5.5
79.05496	0.3
81.03423	5.0
83.01334	0.4
85.02426	0.2
85.02911	3.3
87.04456	0.6
91.05492	2.4
93.03400	0.2
95.04973	0.5
97.02900	2.9
99.00826	13.9
99.04474	1.6
101.02390	0.3
105.03379	0.4
107.04962	4.4
109.02890	4.9
111.00819	0.9
111.04427	0.2
113.02351	0.2
115.03924	0.2
117.01836	0.6
117.03372	0.2
119.04951	4.5
120.05721	0.4
121.02089	0.3
121.02878	2.9
121.06575	0.2
123.04452	0.4
127.03926	7.2
131.04961	0.2
133.02859	0.4
135.04430	1.6
137.02357	1.2
141.06992	0.3
145.04982	1.9
145.06462	0.5
146.65077	0.2
147.04420	5.9
153.00699	0.3
153.01842	3.6
153.06940	0.2
155.08575	0.4
157.06505	0.4
159.04460	0.3
161.05942	0.2
163.03905	1.3
165.01831	1.7
165.07018	1.6
171.03055	0.2
171.04460	0.4
173.06039	0.2
179.08563	0.5
181.06471	0.3
183.02884	0.9
183.08073	2.2
185.05984	0.5
187.03929	0.2
189.05513	0.2
189.07007	0.5
191.08382	0.2
193.06396	0.2
197.05954	0.3
199.03831	0.2
199.05969	0.4
201.05515	0.2
203.03488	0.3
203.07106	0.2
207.08051	2.3
211.07503	1.7
213.05476	1.5
213.09041	0.2
217.06918	0.6
219.08121	0.3
221.06033	0.4
225.09033	0.2
227.07080	0.3
228.07889	0.8
229.08611	6.0
231.04546	0.2
231.06447	0.8
235.07553	4.6
239.07062	0.4
241.05072	0.9
243.04965	1.1
253.08650	2.2
258.05289	1.1
259.06110	0.4
261.06012	0.3
263.07074	8.1
264.07556	0.4
266.05664	0.2
267.10202	0.4
273.06097	0.5
281.08115	9.5
286.04779	0.3
287.05515	100.0
288.05838	1.7
291.06467	2.0
292.07346	0.2
303.04919	0.9
309.07587	8.2
327.08612	0.4
329.06485	0.8
345.04489	2.0
352.16031	0.2
353.06549	0.2
363.05576	0.4
381.09860	0.2
395.07715	0.3
399.10388	0.3
421.27554	0.2
429.08524	0.2
453.11838	0.3
471.13049	0.2
743.65704	0.2
877.17432	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
62.19411	0.1
62.98689	0.1
63.02360	0.1
65.03934	1.6
67.01875	0.1
68.99808	0.5
69.03432	1.4
69.49825	0.3
69.50248	0.6
71.01372	0.2
71.04984	0.1
73.02923	0.2
79.05489	0.2
81.03419	3.8
81.82394	0.1
85.02911	1.0
89.03909	1.1
91.05482	10.4
92.05827	0.2
97.02860	0.6
98.20764	0.3
99.00824	1.6
99.04452	0.4
103.05390	0.1
105.03401	0.2
107.04951	0.9
109.02883	1.5
111.00794	0.8
116.82088	0.1
117.03381	1.0
119.04944	22.2
120.05266	0.3
121.02862	2.7
127.03908	0.7
133.02867	0.6
135.04414	2.6
137.02315	1.1
145.02843	1.6
145.06451	0.2
147.04410	79.3
148.04749	1.2
149.05954	0.2
153.01831	3.8
157.06503	0.2
161.05969	0.2
163.03911	11.3
165.01820	1.6
165.05476	0.8
171.04402	0.2
183.02861	0.9
185.05943	0.4
189.05479	0.3
201.05516	0.2
203.07059	0.2
213.05495	1.2
213.09106	1.0
229.05000	0.4
231.06490	0.6
241.04980	0.8
258.05215	1.3
259.06003	0.5
265.03427	0.4
285.03784	0.2
287.05493	100.0
288.05823	2.6
291.08633	4.4
303.04990	5.4
307.07886	0.2
309.09705	3.4
329.06500	0.5
345.04581	0.2
735.81274	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	874.5153
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	6.2
62.03229	0.8
65.03941	1.9
67.05509	39.0
69.03442	0.9
69.07072	10.6
70.09877	1.0
70.10168	3.9
71.01347	1.7
71.04995	2.2
73.02907	1.4
74.00817	0.8
79.05500	34.8
81.03426	2.7
81.07062	31.5
83.04983	6.3
83.08624	3.8
85.02914	7.3
85.06570	2.1
91.03960	3.9
91.05486	17.4
93.07050	41.9
95.04949	4.3
95.08614	21.6
97.02895	2.5
97.06539	6.6
97.10167	5.9
98.21404	1.1
99.08093	1.0
105.04520	0.9
105.07027	7.2
107.04961	1.0
107.08597	25.1
109.06538	1.4
109.10165	9.8
117.07024	4.7
119.08588	8.7
121.06528	1.5
121.10146	13.0
123.11726	3.0
125.09615	1.7
127.03922	2.3
129.07092	1.0
131.08597	5.3
133.01804	0.8
133.10123	6.7
135.11703	26.6
135.12711	1.9
137.09615	1.2
145.10133	8.4
147.11720	3.4
149.13281	4.3
153.12787	2.2
159.11710	2.6
161.13281	3.1
163.06073	1.5
163.11224	3.6
163.14871	1.0
173.13243	2.3
181.12282	4.2
183.11655	1.3
187.14842	1.9
192.02370	0.8
199.13214	1.4
243.21175	2.8
253.14316	2.2
255.15938	45.3
259.20578	1.1
261.22183	10.0
317.24780	1.9
333.24127	1.2
335.25821	36.6
339.38876	0.9
423.32571	1.5
441.33493	1.0
515.37360	100.0
516.37885	4.4
533.38306	2.9
586.70288	0.9
645.91083	1.0
874.44373	1.3
908.09399	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.5469
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	4.6
67.05167	1.4
67.05510	19.7
69.03427	0.7
69.06767	0.8
69.07076	9.2
70.17058	0.9
70.17398	2.9
71.05002	1.0
71.08289	0.8
71.08641	13.3
73.02929	1.7
79.05492	10.3
81.07061	26.3
83.04990	2.4
83.08627	7.9
85.02906	6.1
85.06547	1.4
85.10194	6.9
87.28132	0.7
91.03954	4.0
91.05489	6.7
93.07051	17.4
95.04986	1.8
95.08612	14.7
97.02906	2.5
97.06531	3.7
97.10162	2.7
99.08123	1.1
99.11782	0.8
105.07027	2.0
107.08595	9.4
108.91247	0.8
109.06533	0.8
109.10149	4.4
111.08095	1.8
117.07034	2.2
117.59361	0.8
121.10153	5.5
123.11784	1.4
127.03956	1.0
131.08580	3.2
133.10121	2.6
135.11703	2.3
145.04988	0.8
149.13263	9.9
159.11699	4.2
163.05986	1.3
177.12785	1.9
195.13799	2.1
239.23785	1.1
269.17502	32.3
313.27374	42.2
343.47495	0.7
369.93030	0.8
449.07843	0.7
507.40491	100.0
508.41058	4.0
617.00586	0.9
773.01282	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.5472
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	7.1
65.03930	0.7
67.05170	1.1
67.05510	18.9
69.03452	1.3
69.07079	9.1
71.05000	1.9
71.08640	17.0
73.02919	1.5
79.05502	10.3
81.03422	1.9
81.07066	29.6
83.04985	2.0
83.08627	9.8
85.02920	9.1
85.06542	1.4
85.10192	9.4
89.06027	0.8
91.03964	5.5
91.05494	7.1
93.07061	15.1
95.04960	1.2
95.08618	15.0
97.02917	5.5
97.06534	2.1
97.10177	2.8
103.07634	0.6
105.07043	3.4
107.08607	8.2
109.10178	6.3
111.08083	1.6
111.11720	1.0
115.28303	0.7
117.07023	3.7
119.08582	0.9
121.06486	0.7
121.09404	0.8
121.10120	3.4
123.11730	3.5
125.50005	0.7
127.03906	2.0
131.08601	2.4
133.10149	4.8
135.08089	0.9
135.11700	3.5
137.13223	0.7
145.04971	1.8
149.13278	5.0
159.11702	2.1
159.62074	0.7
163.05910	1.3
177.12732	1.6
195.13835	3.9
208.47015	0.7
239.23708	1.6
257.24805	1.8
269.17508	29.6
270.17981	1.0
313.27386	67.1
314.27829	2.2
507.40497	100.0
508.40808	4.8
652.68878	0.6
867.46143	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.432
Annotation	Unknow
Peak:m/z	Relative Intensity
62.00195	1.4
67.05511	18.9
69.07072	5.8
70.79115	4.4
70.95859	4.5
71.08636	11.1
71.93015	3.0
72.93791	19.7
74.35226	1.3
79.05491	8.9
81.03426	4.9
81.07061	18.4
83.08618	3.5
85.10182	6.0
88.96901	4.1
90.94834	15.1
91.05494	7.0
93.07072	8.4
95.08615	18.0
98.05690	1.4
98.20802	1.6
102.94868	1.4
105.07026	2.8
107.08575	3.8
107.95025	1.6
108.95878	4.1
109.10205	6.9
113.96358	1.8
116.96340	4.0
119.08556	2.0
121.10100	1.9
122.17138	1.2
122.39718	1.4
123.11794	1.9
126.98463	3.1
127.99201	1.3
128.96333	3.1
130.97884	3.3
131.08592	2.2
132.95840	20.6
133.69843	1.3
134.97453	3.7
135.11652	1.7
140.96367	1.5
142.97903	2.2
144.95842	8.6
144.99495	3.0
146.97401	11.1
148.98982	2.7
150.96889	11.3
151.01987	1.9
155.97517	2.4
156.95844	5.3
158.97417	10.7
162.96927	8.7
164.98476	39.5
164.99886	3.1
166.97975	1.5
167.97571	1.6
168.95830	2.5
170.97401	8.9
172.98944	2.4
174.96883	4.3
176.30492	1.5
176.98497	5.9
178.97981	2.4
182.97423	4.2
184.98940	4.0
186.96921	2.4
188.00114	2.2
188.98503	8.3
189.03593	1.9
190.99945	2.0
192.97830	1.9
196.92030	2.0
198.96910	47.1
200.98535	8.2
202.99924	2.5
203.79225	1.6
206.99452	7.9
214.93065	5.9
215.00037	3.3
216.97971	15.2
218.99498	6.3
221.98450	1.9
230.99492	9.5
233.01088	15.5
237.05568	1.7
239.99516	3.0
240.94666	2.5
241.05191	2.4
262.93106	27.7
270.95724	8.4
273.00476	4.7
280.94089	14.1
281.09964	6.1
283.11188	2.8
285.94760	4.2
294.95688	1.8
298.95200	25.7
300.94489	1.7
303.95844	2.5
307.13550	2.2
309.15298	2.5
312.96829	4.2
313.27405	55.5
321.96646	3.4
327.16379	2.1
329.12012	5.6
329.17755	9.2
331.13617	9.7
333.15115	100.0
334.15414	2.5
335.25845	31.4
336.96835	9.7
347.18863	5.6
354.97842	17.0
363.25299	1.7
372.98859	34.7
374.17648	2.4
385.20459	3.6
396.00064	1.7
407.18842	18.4
414.01535	4.1
449.19678	3.7
511.35516	1.7
517.22223	1.7
519.17371	1.6
537.18030	3.0
573.48792	6.8
575.19110	2.0
593.20978	8.1
611.21832	69.1
612.21814	2.3
615.19250	42.8
633.20367	53.8
634.20587	2.3
645.41785	2.0
652.24048	5.6
871.42822	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	861.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02897	0.2
65.03923	0.5
68.99793	0.5
69.03432	7.4
70.50321	0.6
70.70246	0.2
71.01357	2.8
71.04984	0.7
73.02916	5.8
79.05489	0.3
81.03417	8.3
83.01340	0.6
85.02907	3.5
87.04465	0.5
91.05482	7.7
91.05923	0.1
91.06070	0.2
91.20389	0.2
91.20947	0.2
95.04962	0.8
97.02895	3.1
99.00816	31.4
99.04454	1.6
100.66163	0.2
101.02370	0.7
103.05474	0.4
105.03364	0.5
107.04945	2.9
109.02883	4.8
109.66068	0.2
111.00816	1.2
111.04434	0.3
113.02400	0.4
115.03906	0.3
117.01851	1.3
119.04944	12.4
120.05735	0.6
121.02865	4.7
123.04414	0.3
127.03920	7.1
128.86388	0.2
129.01834	0.3
133.02861	0.6
137.02336	0.9
144.05658	0.4
145.04947	2.2
145.06508	0.5
147.04391	4.7
149.05966	1.6
152.06154	0.2
153.01825	3.8
157.01346	0.3
157.06517	0.8
158.07187	0.2
160.25287	0.2
160.69373	0.2
163.03722	0.2
165.01831	2.0
165.07013	0.4
167.08546	0.5
171.04372	0.4
177.06998	0.5
183.02898	0.7
185.06018	0.7
187.03835	0.3
191.08495	0.5
195.08095	1.0
197.06078	0.4
201.00363	0.8
201.05489	0.8
209.09621	0.4
211.07475	0.5
212.08293	2.0
213.05519	1.3
213.09102	18.6
214.09445	0.5
218.07150	0.2
219.01292	0.3
219.08022	0.7
223.07649	0.5
225.04207	0.3
229.04991	0.6
231.06528	0.5
235.07617	0.2
237.09039	1.7
239.07347	0.2
241.04933	1.2
243.04968	1.3
247.05609	0.5
247.07607	1.2
249.09143	0.6
258.05200	1.2
259.06082	0.5
261.08664	0.3
262.12650	0.3
265.08591	2.2
266.09387	0.3
267.10303	0.2
273.05972	1.0
275.05521	0.8
287.05493	100.0
288.05869	2.1
293.08060	3.0
301.05646	0.3
311.09137	0.5
329.06610	1.0
343.05997	0.2
345.04492	4.7
363.05417	0.4
369.09616	0.3
413.08594	1.5
455.13315	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.5197
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	19.9
69.07064	6.3
71.08636	14.3
71.30677	1.9
73.06548	1.4
79.05507	22.1
81.03416	2.8
81.06639	1.7
81.07065	20.9
83.04980	4.1
83.08616	7.0
85.06519	1.1
85.10188	6.9
91.05482	19.9
93.07044	18.3
95.04974	4.7
95.08610	15.7
97.06499	1.5
97.10164	2.8
102.97270	1.1
105.07030	10.6
107.04969	2.4
107.08591	4.5
109.06542	1.6
109.10153	5.2
117.07038	3.1
119.08582	7.8
121.10147	2.2
123.08096	1.3
123.11728	1.6
129.06995	6.2
133.10153	2.5
143.08621	2.4
145.10095	3.3
147.08063	1.3
147.11682	9.0
161.13307	2.6
171.11681	7.3
189.12790	2.1
207.13792	9.1
212.44763	1.1
247.10759	1.1
263.75693	1.0
281.17505	20.0
313.27383	41.9
519.40454	100.0
520.40576	3.3
630.15594	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	1.9
68.65274	0.2
68.99792	0.8
69.03433	0.9
71.04974	0.2
81.02974	0.3
81.03422	3.7
85.02911	0.9
91.05484	13.0
97.02900	0.3
98.21497	0.4
99.04445	0.4
105.03419	0.2
107.04974	0.5
109.02880	1.3
111.00794	1.0
113.99815	0.2
119.04947	28.9
120.05296	0.4
121.02866	2.7
124.04070	0.2
127.03916	0.5
133.02864	0.5
135.04453	0.2
137.02344	0.7
141.07025	0.2
145.06512	0.2
147.04413	100.0
148.04759	1.3
153.01822	3.9
157.06487	0.4
165.01836	2.0
165.05455	0.8
171.04446	0.4
183.02872	0.8
185.06010	0.4
213.05482	1.3
217.26196	0.1
225.32620	0.2
231.06555	0.6
241.04930	1.0
241.90181	0.2
249.03973	0.7
258.05280	1.2
259.06003	0.5
269.04333	0.3
287.05502	96.3
288.05801	1.9
291.08612	4.6
309.09698	3.6
329.06528	0.5
601.88422	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03946	1.6
66.22865	0.1
68.99802	0.6
69.03424	1.4
70.70142	0.4
73.02922	0.5
81.03423	3.1
85.02914	1.0
91.05486	12.9
97.02898	0.6
99.00831	1.5
99.04482	0.5
105.03380	0.4
107.04959	0.4
108.26431	0.1
109.02878	1.2
111.00809	0.7
119.04951	27.3
120.05245	0.3
121.02876	2.6
126.07696	0.2
127.03929	1.1
133.02899	0.3
137.02351	0.5
141.60730	0.1
145.04988	0.4
145.06503	0.3
147.04417	100.0
148.04761	1.5
153.01837	3.3
157.06511	0.3
165.01840	1.6
165.05478	0.7
168.85936	0.2
175.03947	0.2
183.02951	1.0
185.06021	0.4
203.07057	0.2
213.05464	1.3
213.09004	1.0
231.06570	0.7
241.04875	0.7
249.04001	0.7
258.05283	1.1
259.05917	0.5
269.04498	0.4
286.04828	0.2
287.05508	96.9
288.05795	2.0
291.08624	3.4
309.09708	2.8
329.06635	0.6
345.04608	0.2
604.05524	0.2
702.34229	0.2
737.20844	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02906	0.5
62.39242	0.2
65.03934	0.3
68.99804	0.5
69.03429	8.0
69.80172	0.4
69.80585	0.8
71.01360	2.2
71.04987	0.6
73.02919	8.7
81.03421	5.1
83.01330	0.2
85.02913	4.4
87.04469	1.1
91.05485	6.1
95.04969	0.4
97.02901	4.4
99.00822	17.9
99.04462	1.4
100.19894	0.2
101.02364	0.5
105.03391	0.5
107.04958	2.0
109.02884	3.8
111.00796	1.0
111.04464	0.3
113.02373	0.5
117.01854	1.3
117.05512	0.3
119.04945	9.5
120.05750	0.3
121.02870	3.5
127.03922	10.1
131.04926	0.4
133.02803	0.3
136.19698	0.2
137.02353	1.0
144.05673	0.2
145.04964	3.6
145.06456	0.5
147.04419	7.4
149.06003	0.8
153.01849	3.9
157.01482	0.2
157.06474	0.5
165.01843	1.6
165.07008	0.3
167.08545	0.5
171.04439	0.3
177.07039	0.3
183.02905	0.8
183.07974	0.3
185.06001	0.6
189.05447	0.2
191.08591	0.4
194.07202	0.2
195.08109	0.6
197.06082	0.4
199.03906	0.3
201.00299	0.3
201.05473	0.4
202.10786	0.2
211.07539	0.3
212.08351	1.5
213.05501	1.2
213.09108	11.1
219.08072	0.8
221.04422	0.3
223.07562	0.3
231.06496	0.8
235.10866	0.3
237.09128	1.8
241.04935	0.9
243.04985	2.5
243.07181	0.3
247.07932	1.1
249.04013	0.3
249.08949	0.3
258.05261	0.8
259.06033	0.4
261.05994	0.3
261.08646	0.5
261.12256	0.3
265.08551	1.5
270.29526	0.2
273.05939	0.5
275.05386	0.3
287.05505	100.0
288.05807	2.3
288.10571	0.5
291.08640	0.3
293.08142	1.9
311.09091	0.4
312.16800	0.2
329.06543	1.1
345.04611	2.4
363.05420	0.3
366.79739	0.2
369.10132	0.2
382.20740	0.2
385.09085	0.4
395.07584	0.2
413.08716	0.4
430.22906	0.2
455.13437	0.5
865.80817	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
60.54501	0.9
61.02939	5.5
63.43959	0.9
67.05513	3.6
67.72469	1.0
69.03436	3.0
70.91640	2.1
73.02927	2.2
79.05506	4.5
81.03426	2.5
81.07068	4.1
85.02930	4.4
91.03988	2.4
91.05475	5.0
93.07067	4.6
95.05017	1.0
95.08622	1.6
97.02924	4.6
101.02411	1.8
102.39526	1.0
105.07062	2.7
107.05004	0.9
109.02880	1.3
119.08573	1.5
127.03973	1.2
129.07065	1.6
143.76973	1.2
147.11743	2.1
171.11734	2.3
215.94450	1.0
243.08521	1.8
247.13278	1.6
332.04114	1.1
347.09610	2.2
405.13742	4.6
465.20895	15.1
627.26099	10.8
628.26886	1.3
689.35455	1.9
851.40424	100.0
852.40436	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	852.5312
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	4.0
65.03950	0.7
67.05508	19.4
69.03427	1.1
69.07076	7.9
71.01356	1.2
71.04996	1.9
71.08636	14.2
71.57852	0.8
73.02918	1.2
74.09710	0.5
79.05499	15.1
81.03434	2.1
81.07064	13.1
81.07812	0.4
83.04990	4.3
83.08631	5.8
85.02911	5.9
85.06532	1.1
85.10193	7.1
88.48837	0.4
89.06039	0.8
91.03965	3.0
91.05487	6.1
93.07053	18.8
95.04968	1.6
95.08610	11.6
97.02901	2.2
97.06548	4.0
97.10184	6.3
99.08084	1.0
103.07597	0.6
105.07052	1.2
107.04947	0.6
107.08603	12.5
109.06538	0.6
109.10155	6.8
111.08087	0.7
111.11759	0.8
117.07027	1.3
119.08622	2.8
121.10127	2.1
123.11727	1.8
125.09695	0.5
127.03934	1.1
133.10158	0.8
135.11702	19.3
140.39862	0.5
145.04951	1.0
145.10120	3.9
148.63118	0.4
153.12755	1.2
158.84230	0.4
163.06049	1.1
163.11151	2.9
164.79842	0.4
165.93507	0.4
169.41277	0.4
181.12225	4.0
184.07327	0.9
199.13297	0.9
231.60345	0.4
239.23686	1.4
248.22202	0.5
255.15939	34.5
256.16495	0.5
257.24814	1.1
299.46353	0.5
313.27374	31.7
314.27762	0.7
340.57291	0.4
470.84991	0.5
493.38910	100.0
494.39261	4.6
544.29657	0.5
853.51001	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.5672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06128	2.4
60.66055	1.9
65.03930	5.1
67.05170	3.1
67.05511	58.5
69.03423	6.1
69.07072	17.6
70.75441	5.2
71.04988	3.9
71.08634	13.0
73.02905	1.9
77.03903	1.7
78.81042	1.8
79.05497	56.4
81.03425	6.3
81.07063	51.5
83.04996	9.4
83.08624	6.5
85.02895	5.4
85.06524	4.2
91.05486	60.4
93.07055	53.2
95.05003	12.5
95.08054	2.7
95.08619	35.1
95.09223	2.1
97.02896	5.1
97.06577	9.5
97.10144	3.4
98.45669	1.9
99.08099	9.5
103.05459	3.6
105.07043	35.6
107.04991	4.6
107.08598	19.1
109.06525	5.6
109.10152	13.7
115.05456	5.1
117.07022	41.7
119.08587	24.0
121.06506	6.5
121.10152	17.1
123.08065	6.2
123.11736	2.9
127.04011	2.4
128.06233	6.7
129.05510	4.6
129.07011	21.9
130.07753	2.2
131.08572	26.9
133.06529	4.3
133.10165	13.7
135.08066	9.2
135.11691	9.1
137.09587	3.0
141.07007	13.0
141.12802	3.3
142.07806	2.9
143.08559	13.5
145.06496	2.9
145.10147	14.8
147.08112	4.1
147.11729	3.9
149.09648	3.7
149.13254	5.5
151.11168	2.4
154.07814	3.8
155.08582	9.1
157.10127	13.5
159.08138	3.7
159.11696	12.2
161.13261	4.5
165.06982	2.3
167.08580	3.6
169.10104	13.8
171.11726	7.7
173.13289	8.9
175.11221	4.3
175.14830	2.1
181.10121	5.1
183.11711	7.9
184.07396	2.3
185.13226	9.9
185.37129	2.1
187.11201	9.4
187.14812	3.1
189.16393	3.0
195.11795	3.9
199.14882	4.3
201.12791	9.9
201.16330	2.7
203.14354	4.2
203.18042	2.9
209.13205	2.0
217.15906	4.6
219.13855	2.3
239.17915	2.3
241.19530	5.4
243.20996	2.8
259.20627	2.3
261.22153	5.6
265.19485	5.9
269.22659	2.3
275.16461	2.6
275.20169	3.0
283.20480	9.0
293.17520	18.0
301.21683	12.2
314.55600	2.1
335.25809	100.0
349.23880	2.8
357.24368	3.1
361.27411	6.7
367.25009	5.3
375.25327	7.1
393.26373	2.7
490.66327	2.0
553.38947	29.6
558.82379	2.6
577.00323	1.9
635.46643	9.1
653.47101	5.3
786.76208	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	851.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
69.90520	1.7
69.90929	3.1
70.02957	3.0
71.56976	0.8
77.51070	0.9
81.04543	3.8
82.05345	1.8
83.06116	13.3
85.06548	2.1
86.09698	1.5
87.05605	2.4
91.05499	5.0
93.04536	9.9
94.06594	1.0
95.06113	9.0
100.03985	1.8
106.06568	2.2
107.04958	2.5
107.07350	7.6
108.05627	2.1
109.04017	1.2
110.02434	1.6
110.07172	100.0
112.04008	1.4
113.03513	1.7
118.06552	5.0
119.04978	2.8
120.08102	11.4
121.08907	0.8
122.06041	0.8
122.09676	65.5
127.04005	0.9
127.05007	1.2
129.76865	0.9
132.04466	1.1
134.06065	1.5
135.06831	2.1
136.05077	14.3
136.07584	19.2
136.11290	1.1
138.06604	1.0
141.02989	3.2
145.07649	2.5
146.06027	8.3
147.04445	2.4
148.11246	1.6
150.09102	1.3
155.04561	1.1
156.07747	3.1
160.07651	1.1
162.05489	1.0
162.09200	1.3
164.04585	6.0
166.08670	2.1
167.07129	1.0
171.08061	1.3
172.07542	1.3
173.07153	1.0
174.09166	1.1
174.98917	1.0
176.10773	3.6
187.08711	2.8
188.07076	1.5
198.05234	1.4
201.10390	1.1
206.08223	1.2
211.12456	1.0
212.08463	0.8
214.09708	5.8
215.04628	1.1
215.11826	1.8
216.06659	1.4
222.09251	1.2
224.10750	1.2
226.09764	1.4
227.11795	1.2
240.10316	2.1
242.09160	1.5
243.11398	1.1
247.08261	1.1
253.09795	1.1
255.11494	1.3
258.11459	2.3
261.12366	1.3
269.12961	2.4
273.12256	0.9
281.10571	1.0
286.10794	6.9
287.13986	2.3
290.08771	1.3
295.10971	1.4
299.11545	3.8
301.13211	0.9
313.12064	1.2
315.13385	11.1
319.14038	2.2
345.12161	2.0
390.21741	0.9
418.21350	2.0
423.16608	5.3
436.22336	11.4
438.20343	2.0
462.20343	1.0
541.28290	3.2
559.29144	29.3
560.29626	2.5
585.27228	4.9
642.26752	1.7
698.38177	1.0
704.94556	1.1
834.30981	2.3
851.33612	74.2
852.33484	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	846.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	1.6
65.03941	1.4
67.05509	24.0
69.03416	0.8
69.07072	6.1
71.04989	1.6
73.02911	0.7
73.06554	1.0
77.03931	0.5
79.05497	38.6
81.03426	4.9
81.07062	20.1
83.04984	6.9
83.08617	3.7
85.02908	2.0
85.06532	2.1
91.03959	1.5
91.05484	30.6
93.07048	37.7
95.04355	0.7
95.04971	11.6
95.08610	12.9
97.02895	1.2
97.06547	2.4
97.10178	1.5
98.21481	0.9
99.08087	0.6
103.05475	0.8
105.04543	0.9
105.07034	22.4
107.04963	3.2
107.08598	9.7
109.06526	3.0
109.10163	2.3
111.08126	0.8
113.26650	0.3
115.05432	0.8
117.07013	5.1
119.08582	14.6
121.06519	1.5
121.10146	2.3
123.08094	3.7
124.01230	0.4
127.03951	0.5
127.07563	0.6
128.06226	1.4
129.07007	11.1
130.07777	0.3
131.08580	1.4
133.06496	0.7
133.10133	5.9
135.08037	0.5
135.11722	0.8
137.09590	0.4
141.09157	0.5
143.08589	5.1
145.10129	6.4
147.08086	1.7
147.11697	21.6
156.09406	0.9
159.11717	0.5
161.09636	2.8
161.13268	6.3
163.11328	0.7
171.11703	14.6
172.12151	0.3
173.04367	0.4
179.14345	0.8
189.12759	6.7
193.18700	0.4
207.13812	14.7
207.15724	0.7
208.14183	0.4
222.21252	0.3
225.14899	1.4
263.16537	1.3
279.15872	0.4
281.17487	38.5
282.17902	0.6
469.29285	2.6
482.14908	0.4
487.30566	100.0
488.30902	4.2
539.33063	0.4
567.33179	0.6
631.34888	0.4
713.27338	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.5674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.17364	2.3
61.02921	5.6
62.17513	2.3
65.03942	3.3
67.05511	88.6
69.03433	8.0
69.06776	2.6
69.07073	32.5
71.04987	6.0
71.08640	14.1
73.02931	4.2
77.90033	2.7
79.05067	4.0
79.05499	72.6
79.21133	2.3
81.03403	13.7
81.07054	82.4
83.04967	10.1
83.08611	10.6
85.02900	10.4
85.06539	3.1
91.05482	100.0
92.78328	2.3
93.07052	78.3
95.04974	13.7
95.08613	59.1
97.02872	7.3
97.06535	12.8
97.10164	4.7
99.08092	9.6
105.04565	3.0
105.06386	4.2
105.07036	56.9
107.04958	7.6
107.08591	31.6
109.02842	2.4
109.06511	7.6
109.10171	17.4
111.08079	4.0
115.05485	5.2
117.07019	36.7
119.07776	4.1
119.08582	46.2
121.06455	4.6
121.10154	31.1
123.08096	6.1
123.11700	5.1
127.03903	3.3
128.06218	7.0
129.05496	6.0
129.07016	20.9
131.08569	43.3
133.10150	36.5
135.08075	7.3
135.11684	16.5
136.66815	2.7
137.09532	2.8
137.26778	2.6
139.11118	3.4
141.07005	10.2
143.08594	20.7
143.80936	2.5
145.10120	27.7
147.08076	4.8
147.11732	16.2
149.09590	8.5
149.13235	11.1
151.11194	7.4
155.08549	7.7
157.10144	15.7
159.07956	2.7
159.11679	19.1
161.09642	5.1
161.13251	11.8
163.11198	7.1
163.14821	2.9
165.12787	2.9
167.08542	5.5
169.10132	9.1
171.11723	15.3
173.09740	2.6
173.13277	9.2
174.99184	2.5
175.11159	4.7
175.14828	7.9
177.09138	2.7
179.14198	3.0
181.10110	3.0
183.11682	6.8
185.13234	13.4
187.11162	6.2
187.14821	4.6
189.12708	3.2
189.16396	6.9
193.37103	2.5
195.13843	4.7
197.13293	3.7
199.11099	2.8
199.14786	5.8
201.12727	4.3
201.16365	3.1
203.14316	5.0
203.17960	19.8
217.15755	4.4
239.17921	5.0
243.20978	3.5
253.14127	3.2
255.15846	8.2
257.18976	5.9
259.20541	4.5
259.24496	3.4
261.22073	3.6
269.17480	28.4
269.22415	15.2
275.20038	11.9
283.20505	10.7
287.23721	14.8
291.19635	3.5
301.21649	8.8
309.20703	5.3
335.25781	52.9
349.23819	14.0
361.27411	36.1
367.24686	2.9
375.25253	12.7
477.00540	3.2
541.38593	7.8
555.40515	26.0
580.24902	3.0
595.43481	5.9
625.43982	3.0
635.46667	19.0
653.47046	3.0
655.32190	2.8
850.50885	2.7
851.24182	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02936	9.5
67.05511	17.4
69.03429	5.0
69.06725	1.6
69.07068	8.6
69.84825	4.9
71.08636	16.1
72.62491	1.4
73.02924	2.5
79.05497	9.4
79.42655	1.4
81.07064	16.2
83.04977	1.9
83.08627	23.9
85.02914	8.1
85.10198	8.2
86.09702	1.6
91.03943	6.0
91.05466	4.4
93.07056	5.3
95.08625	13.5
97.02895	5.8
97.10184	44.7
98.20720	1.4
105.07058	2.2
107.08605	14.8
109.10165	9.2
111.08092	1.9
121.10183	1.9
123.11719	2.0
124.99942	1.6
125.09647	41.2
127.03979	2.4
129.07123	1.3
135.08060	4.4
135.16660	1.4
137.13333	1.3
143.10721	2.4
145.96762	1.4
153.09070	3.7
163.06041	2.3
167.80736	1.4
171.10152	2.3
184.07458	1.5
189.11240	32.7
205.09755	1.5
227.12808	69.5
239.23595	2.7
245.13878	82.2
285.28998	1.4
313.27393	91.8
314.27606	2.5
414.87231	1.5
483.36884	100.0
484.37561	3.1
636.24915	1.6
655.27057	1.6
815.81952	1.6
843.47888	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	836.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	3.2
61.15273	2.2
67.05515	22.7
69.07056	4.6
70.68037	2.2
71.56837	3.2
73.41925	1.9
79.05499	17.3
81.03413	5.2
81.07071	17.7
83.04980	8.5
83.08617	7.6
85.02905	7.5
91.05484	15.5
93.07054	17.1
95.04962	6.9
95.08601	9.0
97.02881	4.8
97.06544	4.5
97.10159	8.3
105.07036	13.2
107.04966	6.6
107.08598	13.3
109.06490	2.3
109.10150	7.8
111.04457	4.2
117.07054	5.3
119.08571	6.1
121.06495	3.4
121.10139	5.4
123.08113	3.1
125.09634	6.3
129.07007	4.1
131.08571	7.4
133.10120	11.0
135.08047	3.9
135.11685	7.5
143.08585	4.1
145.06447	3.6
145.10101	6.2
147.04379	3.7
147.08051	3.0
147.11642	2.9
149.09634	3.8
149.13229	2.4
151.11192	2.9
153.09146	2.3
155.08479	2.2
161.09578	2.1
163.11249	5.6
171.11670	3.9
173.13272	2.2
175.11302	3.5
181.12277	3.0
185.13301	2.5
189.11266	3.5
191.10623	2.4
211.47093	1.9
215.14500	2.8
227.12857	4.4
233.15286	2.5
262.58435	2.1
269.17474	3.6
283.15408	4.3
339.23685	2.5
349.21393	2.7
357.24274	3.9
367.22702	7.9
385.23737	16.9
403.24704	5.7
440.84241	2.4
445.13391	2.1
459.27411	100.0
460.27695	4.5
477.28467	94.5
478.28552	5.0
495.29315	7.3
497.31592	2.3
526.63324	2.1
603.28033	2.6
720.96307	2.6
730.28839	2.4
771.18457	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	840.5476
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02943	5.9
65.03954	5.3
67.05512	100.0
69.03434	21.0
69.07077	58.2
71.01384	3.5
71.04992	24.3
71.92625	2.8
73.02940	6.8
79.05500	92.8
81.03424	25.9
81.07065	96.0
83.04980	19.8
83.08636	16.6
85.02921	12.7
85.06551	4.5
91.03969	3.0
91.05492	61.2
93.07052	81.4
94.07391	4.3
95.04994	15.5
95.08050	4.2
95.08620	60.3
97.02892	17.4
97.06544	85.9
97.07151	6.2
97.10188	5.9
98.20754	9.4
99.04478	6.2
99.08096	8.2
105.04559	5.5
105.07037	44.1
107.04967	9.4
107.08607	50.8
109.02912	6.5
109.06543	20.6
109.10155	26.7
111.04463	4.3
111.08106	7.1
113.06006	3.1
115.07592	30.4
117.07043	21.7
119.08603	31.1
121.06539	8.6
121.10152	33.6
123.08089	7.2
123.11703	9.2
125.17607	2.9
127.03937	8.3
127.07506	4.1
128.06210	3.1
129.07033	7.5
131.08588	29.5
133.06541	3.8
133.10156	28.6
135.08066	10.3
135.11720	14.7
140.87408	3.3
143.08582	7.1
145.06602	5.1
145.10133	18.9
147.08084	4.0
147.11716	11.2
149.09602	8.1
149.13277	13.1
151.11232	5.2
157.10194	6.6
159.11696	16.1
161.09653	6.8
161.13269	6.0
163.11201	4.7
163.69112	3.1
171.11714	6.7
173.04510	8.9
173.13301	7.8
175.11174	4.9
175.14862	5.2
177.12802	4.5
180.59607	3.4
185.13240	4.5
195.13879	3.8
199.14709	3.9
217.15843	7.4
227.12823	6.5
227.17944	3.9
229.30904	3.7
243.21094	6.2
261.22214	8.3
269.17554	13.8
273.18460	27.3
275.20160	3.6
289.18146	2.9
291.19601	14.0
307.19168	4.5
335.25830	95.7
335.48685	2.9
336.26181	8.1
347.22293	10.1
365.23175	10.7
365.87723	3.2
481.37674	6.7
529.39227	24.0
567.40405	4.4
607.43170	6.9
625.44592	21.8
643.45105	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	829.5077
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	5.9
64.24246	0.9
66.28391	1.0
67.05520	7.9
69.03437	3.3
69.07060	2.1
69.78559	3.6
69.78967	1.9
73.02921	3.5
73.41933	0.9
79.05497	5.8
81.03417	2.3
81.07063	7.3
85.02927	4.8
91.03984	3.0
91.05482	3.8
93.07042	5.5
95.05037	1.0
95.08629	3.7
96.93869	1.1
97.02912	4.7
99.04489	1.1
101.02395	1.7
105.07047	3.1
107.08619	2.7
109.02953	1.0
109.10228	1.6
119.08614	2.8
121.10161	3.0
123.11721	1.3
127.03965	1.8
127.55467	1.0
133.10226	1.1
135.11723	1.6
184.07393	1.7
243.08551	2.5
333.20551	4.9
519.29596	9.2
551.28497	4.0
573.77008	1.1
829.50751	100.0
830.50732	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	834.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	2.9
62.32467	0.7
65.03934	1.3
65.48648	0.7
67.05508	27.0
69.03423	1.1
69.07080	7.4
69.58704	4.5
71.05005	1.2
73.02916	0.8
73.06554	1.0
77.03983	0.8
79.05497	25.6
81.03419	3.6
81.07061	29.8
83.04977	6.5
83.08620	4.4
85.02914	2.8
91.03947	1.1
91.05485	19.0
93.07045	33.2
95.04961	6.5
95.08617	10.8
97.02889	2.2
97.06524	4.6
97.10146	1.7
99.08100	1.0
105.04494	1.1
105.07040	13.1
107.04956	1.6
107.08593	14.4
109.06521	2.4
109.10142	3.0
111.08068	2.5
113.09669	0.8
117.07002	5.5
119.08590	7.7
119.33636	0.7
121.06528	0.9
121.10162	6.2
123.08068	1.6
129.07010	5.0
131.08582	3.4
133.10129	4.4
135.08003	0.9
135.11703	3.1
143.08578	2.6
145.10127	2.7
147.11702	11.1
149.13277	7.4
159.11694	3.4
161.09666	1.4
161.13240	3.8
171.11670	7.6
177.12769	2.0
189.12791	2.7
195.13841	1.8
207.13843	7.3
218.57552	0.7
269.17459	18.8
281.17484	20.0
313.27499	1.1
457.29037	0.9
475.30573	100.0
476.30911	3.8
514.54834	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5165
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04996	3.7
59.98018	1.2
61.02679	1.1
61.02932	11.6
65.03931	3.0
67.05513	68.3
69.03439	2.8
69.07082	6.7
71.04992	3.3
71.08276	1.7
71.08640	21.4
73.02905	3.3
79.05488	2.4
81.03429	1.4
81.07068	17.7
83.08638	12.1
85.02921	12.4
85.06537	2.9
85.07620	1.1
85.10190	13.4
89.06035	1.3
91.03975	6.5
91.05471	5.2
93.07034	2.6
95.08618	19.8
97.02916	6.3
97.10158	3.2
98.20756	3.4
100.85416	1.2
104.25007	1.2
107.08609	2.5
108.89140	1.2
109.10174	73.7
111.08112	2.3
119.08598	5.9
123.11701	3.6
127.03902	1.4
137.09651	4.0
137.13309	1.6
145.04965	3.2
155.10655	4.3
163.06000	5.8
173.11760	19.5
184.07408	2.7
229.14394	83.2
230.14690	1.4
239.23759	2.4
257.24628	2.1
295.27161	1.3
313.27393	90.3
314.27728	2.8
316.75928	1.1
384.07596	1.3
467.37381	100.0
468.37555	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	823.5333
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	5.0
62.13210	0.7
67.05515	5.9
69.03423	3.3
69.07087	0.9
69.88055	1.8
69.88455	2.8
73.02932	5.7
78.96761	0.8
79.05480	3.9
79.41999	0.9
80.23257	0.7
80.94957	0.7
81.03410	1.9
81.07047	4.4
81.36690	0.7
85.02901	5.3
87.04460	0.8
91.03984	3.4
91.05473	4.7
93.07069	3.8
95.08608	2.2
97.02917	3.7
99.04517	1.2
101.02409	2.5
104.84161	0.8
105.07050	1.9
107.08604	1.0
109.10178	1.0
119.08602	1.9
121.10189	1.2
127.03945	1.7
133.10146	1.4
135.11673	0.7
145.10156	1.1
203.05562	0.8
233.58234	0.9
243.08488	1.9
259.71143	0.8
392.30872	0.8
481.99097	0.8
519.29510	4.2
545.31030	10.2
823.53314	100.0
824.52936	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	824.5517
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20279	1.3
60.43489	1.3
61.02922	2.2
65.03925	6.4
67.05505	99.2
69.03420	9.0
69.06722	1.9
69.07070	30.6
69.26862	12.8
71.04974	5.7
73.02893	1.4
79.05495	81.1
81.03414	10.5
81.07057	97.2
83.04980	10.5
83.08613	15.4
85.02905	6.8
85.06531	4.6
91.05482	56.6
93.07046	80.6
95.04984	14.3
95.08607	61.9
95.09127	1.4
97.02872	6.0
97.06512	11.2
97.10165	5.0
99.04464	1.4
99.08070	3.6
103.05486	2.3
105.07034	44.9
107.04946	5.7
107.08591	47.9
109.06503	6.9
109.09442	2.4
109.10152	27.9
111.08070	5.4
115.05435	2.3
117.07018	21.4
119.08583	29.5
121.06508	4.1
121.09312	2.3
121.10148	31.3
123.04339	1.4
123.08068	6.2
123.11708	6.3
123.33465	1.4
125.09637	3.1
127.03899	2.7
128.06264	1.6
129.06990	6.7
131.08577	25.4
133.10135	28.1
135.08055	4.7
135.11696	20.3
137.09573	4.7
138.46646	1.3
141.07079	2.1
143.08557	7.4
145.10132	17.7
147.08041	2.7
147.11694	15.4
149.09590	6.4
149.13252	12.6
151.07628	1.4
151.11148	3.4
155.08514	4.9
157.10130	5.7
159.11691	15.6
161.09622	1.4
161.13246	6.2
163.11206	3.1
163.14832	4.2
165.95125	1.3
169.10048	2.9
171.11719	5.1
173.11864	2.4
173.13246	12.2
175.11205	1.4
175.14815	2.2
177.12758	2.0
179.14227	1.5
181.10092	2.5
183.11722	2.3
184.07333	1.7
185.13252	4.7
187.14818	4.2
189.11183	1.9
189.12807	2.1
189.16362	2.6
195.13795	3.8
197.13251	1.9
198.85541	1.5
199.14804	3.1
217.15913	3.5
219.17340	3.1
229.14288	3.9
229.19455	2.0
239.17961	2.5
243.21034	2.4
255.15834	7.8
257.19009	7.2
261.22263	9.9
267.15897	3.7
269.17474	22.2
275.20078	22.7
293.20975	2.1
309.20544	6.7
331.22552	1.5
335.25803	100.0
336.26089	3.4
349.23691	20.0
367.24817	3.9
489.35361	3.6
515.37250	10.9
529.38855	54.9
543.40314	2.0
569.41937	16.5
609.45111	22.5
627.45618	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	820.5933
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44866	15.8
67.05504	50.4
67.58259	13.2
79.05485	22.4
81.07075	41.9
84.95597	15.4
91.05456	24.0
93.07058	15.9
95.08612	38.9
100.16763	14.7
107.08620	19.7
249.50781	13.7
307.83392	15.3
335.25757	100.0
459.12833	16.8
595.47186	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	822.536
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	15.5
58.44783	7.7
62.92900	6.8
67.05504	54.8
69.07081	23.3
71.04987	10.0
71.56954	13.1
79.05505	58.3
81.03429	10.0
81.07068	67.8
83.04993	11.7
83.08591	11.1
83.69420	6.6
91.05498	79.1
93.07046	56.5
95.01349	15.8
95.04978	12.2
95.08605	44.8
97.06538	25.3
97.22221	6.9
98.79839	6.9
105.07040	100.0
107.04967	12.2
107.08585	26.3
109.10155	13.6
112.34998	8.1
117.07048	23.5
119.08587	70.4
121.10159	14.5
131.08606	36.3
133.10149	66.5
135.08012	10.2
135.11639	9.9
143.08571	7.8
145.10147	26.6
147.11678	29.9
149.09645	9.9
149.13373	7.5
156.24460	7.2
159.11708	15.1
159.48160	8.3
161.13251	17.1
175.14804	12.5
185.13319	9.8
223.45023	8.1
241.19510	19.8
259.20569	34.2
275.20090	65.0
315.23160	13.7
320.47632	7.3
333.24258	62.2
349.23795	58.5
425.24396	8.6
607.43530	99.3
625.44965	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	820.5207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	7.5
67.05513	43.8
69.03431	6.2
69.07076	11.5
69.41856	1.7
78.75889	2.0
79.05058	2.6
79.05502	42.1
81.07063	34.7
83.04989	4.0
83.08629	31.0
91.05490	36.8
93.07059	31.7
95.04984	3.5
95.08614	17.5
97.06553	2.4
97.10179	59.0
105.07052	12.2
107.04974	2.0
107.08606	31.1
109.10178	14.2
111.08108	2.3
115.05460	7.0
117.07023	29.6
119.08591	60.1
121.06492	3.1
121.10136	9.9
123.11784	2.1
125.09641	47.8
128.06273	2.2
128.97394	2.1
129.07008	4.7
131.08588	9.0
133.10141	5.6
135.08049	9.4
135.11719	5.4
143.08588	7.5
143.10767	2.2
145.06500	23.8
145.10135	6.5
147.08060	3.3
147.11765	5.4
147.85558	1.8
149.13258	3.0
153.09129	6.6
155.08618	2.5
157.10155	6.6
159.08083	8.9
159.11726	4.2
161.09618	2.0
163.07541	2.5
169.10101	3.7
171.10199	3.8
184.07312	2.2
185.09692	2.6
189.11238	38.3
189.12897	2.1
227.12804	100.0
229.24748	2.6
235.19716	1.7
243.17369	2.9
243.21066	3.4
261.22217	13.7
271.16971	54.0
272.17197	2.4
289.17978	16.3
317.24969	2.2
335.25879	27.6
345.20599	8.3
363.21741	21.2
487.34293	8.0
505.35168	14.7
546.69080	1.7
591.35065	1.7
605.42010	18.7
623.43097	47.6
624.43231	3.1
632.45886	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	8.9
57.07054	2.6
63.08003	2.8
65.03949	4.5
65.32585	2.4
67.05508	76.6
69.03432	7.5
69.07070	20.0
79.05499	69.4
81.07063	57.2
83.04989	6.4
83.08619	37.3
85.06515	3.2
91.05485	64.3
93.07052	65.7
95.04958	5.0
95.08617	44.0
97.06549	4.5
97.10180	79.6
103.05512	4.2
105.07032	22.3
107.04938	3.7
107.08605	41.0
109.06497	4.6
109.10162	23.5
111.08092	4.3
113.99387	2.7
115.05467	6.6
117.07021	33.1
119.08588	78.0
121.06499	5.8
121.10163	17.9
122.90666	3.2
123.11680	3.4
125.09643	68.3
128.06274	3.6
129.07004	3.8
131.08578	15.8
133.06473	3.6
133.10146	11.5
135.08067	15.6
135.11736	13.4
135.12605	2.5
137.09650	2.9
143.08580	8.6
145.06493	30.3
145.10170	11.8
147.07953	5.9
147.11688	5.8
149.13339	7.9
153.09077	7.2
153.15059	2.6
155.08563	7.2
157.10161	6.8
159.08080	14.6
159.11726	5.5
161.13210	4.3
163.14839	7.2
169.10089	4.7
171.10239	4.8
173.13278	6.3
183.11726	5.1
184.07390	6.0
189.11235	51.5
202.10802	3.3
215.14217	4.1
225.16402	4.2
227.12808	92.4
243.21147	6.5
245.13911	3.6
253.15915	3.5
261.22125	25.0
271.16959	78.3
271.19827	6.0
289.18094	16.7
317.24811	7.3
335.25848	77.3
335.29889	3.7
345.20667	18.7
363.21765	24.9
364.21710	3.4
487.34262	6.2
505.35315	54.7
605.42035	39.1
623.43054	100.0
624.43378	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	818.5774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	6.1
57.07055	3.5
66.58012	3.0
67.05508	38.3
68.09294	2.6
69.07061	11.6
73.85517	2.6
79.05499	29.2
81.07068	43.9
81.91228	2.6
83.08626	5.1
91.05482	25.2
91.16640	2.6
93.07056	38.8
95.04990	4.7
95.08620	35.7
97.02871	2.8
97.10188	3.8
98.21525	5.7
105.07054	20.7
107.08610	17.0
109.10189	18.1
117.06998	8.3
119.08585	17.1
121.10159	22.2
123.11698	6.5
129.07013	5.0
131.08594	14.8
133.10138	13.3
135.11702	15.9
145.10126	11.9
147.11668	11.3
149.13246	9.7
159.11737	8.7
161.13307	8.9
163.14809	5.1
171.11725	4.9
173.13248	9.5
173.66963	2.8
173.70798	3.6
173.98833	2.7
175.14781	4.0
187.14825	4.2
189.16434	3.2
199.14735	4.2
203.17976	3.6
241.19467	3.1
243.21048	4.3
259.20490	7.8
261.22119	18.2
269.22803	3.4
287.23538	4.7
305.69910	3.1
317.24805	3.6
333.24405	6.5
335.25824	100.0
336.26187	2.7
337.27350	8.6
595.47485	12.7
613.47791	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	820.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
59.58174	0.5
62.06104	0.5
65.64919	0.5
67.05500	1.1
69.03425	0.9
69.07066	1.1
70.06581	0.5
71.05000	1.8
71.08354	0.4
71.08642	4.5
71.56947	0.6
72.08139	1.1
73.02898	0.6
79.05498	0.9
81.03423	1.4
81.07055	2.4
83.04991	0.7
83.08620	1.2
84.08143	1.3
85.02915	3.9
86.06083	3.6
87.00835	0.6
90.18504	0.4
93.07018	0.9
95.08613	1.4
96.08128	1.4
97.02901	1.0
97.44083	0.4
98.09706	2.1
99.04462	0.7
99.08096	2.0
107.08627	0.9
108.08135	1.0
109.02885	1.2
111.04436	1.1
116.10741	14.3
117.94619	0.4
122.09670	0.9
127.03921	2.0
133.04710	0.4
135.11787	0.6
136.11179	0.7
140.10713	0.7
143.10654	1.2
149.13304	1.1
150.12828	0.4
154.15996	2.2
166.15939	2.2
168.17471	0.7
174.05850	0.4
178.15935	1.7
196.17024	5.8
214.18037	100.0
215.18282	2.4
231.15930	0.6
257.17450	1.3
310.23737	1.1
328.24854	2.4
360.23746	1.9
408.31100	1.8
426.32169	14.9
462.23474	7.2
521.33392	0.5
608.28711	1.0
609.67352	0.5
650.49994	0.5
674.37439	4.4
720.41687	0.6
775.08661	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.4432
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	7.1
57.07077	38.2
61.02926	20.3
67.05512	26.4
69.03442	4.3
69.07084	9.0
71.04990	7.9
71.08642	25.1
71.56476	8.2
73.02923	8.6
75.04473	4.0
79.05493	20.6
81.03437	7.8
81.07063	28.6
83.08617	12.0
85.02898	18.0
85.10172	15.6
91.03962	13.9
91.05517	7.2
93.07040	9.6
95.04964	6.6
95.08602	37.0
97.02885	10.7
97.06585	4.7
97.10185	8.0
105.07027	33.3
107.08585	7.0
109.10150	12.6
117.06988	6.5
123.11747	5.0
129.43082	4.4
131.08568	5.8
133.06473	6.6
145.04950	7.8
145.10075	4.8
151.07581	15.2
163.06018	19.3
169.08611	8.3
178.42271	4.9
239.23753	23.8
313.27383	100.0
331.28433	28.9
527.57404	4.3
640.79053	4.4
686.90179	5.5
791.72333	5.3
817.41235	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	818.5778
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	7.3
57.07076	3.2
61.02929	2.3
65.03935	2.8
67.05511	38.6
69.07077	12.0
71.05006	1.5
71.30708	1.8
75.30179	0.8
77.03925	1.3
79.05065	1.7
79.05505	28.9
81.07063	40.5
83.05020	1.5
83.08629	4.5
85.02912	1.5
85.06566	2.4
85.27889	0.9
91.03960	0.9
91.05494	35.5
93.07054	29.5
95.04988	2.7
95.08618	29.9
97.02879	1.5
97.06535	3.2
97.10184	1.4
105.04510	1.0
105.07045	23.6
107.08602	15.1
109.10171	13.1
111.08095	1.7
117.07031	9.8
119.08588	19.3
121.10155	13.2
123.08047	1.1
123.11687	4.9
125.09628	1.8
128.06226	2.4
129.05490	1.7
129.07027	5.9
131.08595	14.9
133.10146	12.8
135.08072	2.4
135.11697	7.3
137.09628	1.2
137.13225	1.6
143.08578	7.1
145.10153	11.0
147.11694	6.7
149.09651	1.7
149.13274	3.4
151.14798	1.2
155.08511	1.1
157.10114	4.5
159.11743	5.7
161.09634	1.6
161.13260	6.0
163.14783	2.1
169.10097	2.3
171.11725	7.3
173.13234	5.7
175.14813	5.1
177.16417	2.5
182.10939	0.9
183.11685	2.1
185.13293	4.9
187.14847	5.3
189.12680	1.7
189.16429	6.0
199.14862	4.0
201.16374	3.8
203.14381	1.4
203.17975	16.8
203.95500	0.9
205.19548	1.0
213.16452	2.4
215.17867	1.0
227.17938	1.0
243.21149	4.3
257.22897	1.0
259.20627	2.5
259.24243	2.3
261.22134	5.6
267.21060	1.6
269.22653	15.7
271.24112	1.5
285.22156	2.8
287.23737	19.1
288.24130	1.0
299.23575	1.2
317.24680	1.8
335.25836	100.0
336.26138	2.6
337.27493	4.9
354.11227	1.0
361.27420	20.3
621.49377	4.5
639.49524	2.8
742.38092	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
69.92217	2.2
69.94292	0.5
79.05429	0.6
81.36423	0.5
91.05453	1.3
94.06525	0.6
98.20838	0.7
119.04945	2.3
122.06007	0.8
122.09631	1.6
129.79997	0.5
136.07452	0.5
140.59009	0.4
147.04401	7.2
150.05487	0.9
178.04922	0.5
184.24040	0.5
199.12305	0.7
200.13040	1.0
200.26289	0.5
219.11340	0.6
237.12579	0.7
238.45657	0.5
241.13445	2.7
243.11211	1.1
258.13654	2.1
259.14420	18.8
279.17374	0.8
284.13947	1.1
292.14789	1.2
292.18030	1.5
293.18793	1.9
296.14069	0.7
306.16037	1.0
307.16882	1.1
310.15356	1.2
320.17612	4.0
321.18356	5.1
322.15512	1.3
323.16129	0.6
324.17154	0.9
334.15546	0.6
334.19067	1.9
336.13422	2.6
336.17020	1.1
337.17960	0.6
338.18585	1.0
350.15009	5.0
350.18863	0.8
351.15762	1.6
352.16599	0.6
352.20184	11.8
353.20663	0.6
362.18607	4.1
363.16876	0.7
364.16364	2.6
364.20483	0.8
365.17349	5.6
366.17908	1.6
367.18698	0.6
378.18271	0.8
380.19690	90.6
381.20132	3.3
382.16675	0.6
382.21289	9.1
393.16779	2.9
396.19385	0.7
401.26477	0.5
408.19055	0.9
410.20801	4.9
411.17819	1.2
414.84805	0.7
426.20233	73.7
427.21161	2.3
441.18942	1.0
456.21378	1.8
564.17944	0.6
589.24768	0.6
590.25000	58.1
591.25000	3.2
609.28326	0.7
620.26019	100.0
621.26245	5.9
646.24072	1.0
785.30298	6.4
815.31305	11.2
816.32672	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.5621
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	11.2
57.07082	2.7
61.02925	4.0
61.73383	1.2
64.37263	1.1
65.03938	4.5
67.05510	71.5
69.03425	1.8
69.07076	16.0
70.63299	1.8
70.63644	2.6
70.82888	1.3
71.05012	2.1
73.02930	2.2
77.70953	1.1
79.05500	50.8
79.05962	2.6
81.03391	1.7
81.07066	59.3
83.04975	2.2
83.08631	6.0
85.02881	3.0
85.06541	3.6
86.09743	1.8
91.03965	1.3
91.05489	51.6
93.07053	48.8
95.04974	7.3
95.08613	46.6
95.09231	1.8
97.02905	3.5
97.06547	5.6
97.10190	1.4
103.05537	1.6
105.07037	31.8
107.08604	23.2
109.10153	18.8
115.05473	3.1
116.06238	1.5
117.07024	27.1
119.08596	23.8
121.10154	19.1
123.08047	1.2
123.11710	7.6
125.09619	1.3
128.06230	4.7
129.05513	2.8
129.07002	14.7
130.07869	2.1
131.08583	35.7
133.10144	19.8
135.08028	1.8
135.11711	10.0
137.09659	1.3
137.13229	2.7
141.07018	4.9
142.07768	2.4
143.08578	11.0
145.10133	23.0
147.11713	10.8
149.09636	2.9
149.13283	6.9
155.08554	5.3
157.10132	9.0
159.11720	16.7
161.09654	3.0
161.13232	7.1
163.11157	2.3
163.14824	3.9
167.08586	2.0
169.10074	7.0
171.11726	9.8
173.13249	13.9
175.11304	1.6
175.14874	7.5
183.11781	6.4
185.13269	9.4
187.14841	9.8
189.16417	3.1
191.93254	1.3
195.11604	1.7
197.13275	5.5
199.14792	6.3
201.12738	1.7
201.16423	19.2
203.18083	1.4
211.14835	4.0
213.16481	2.0
215.14365	2.0
216.36302	1.2
223.14906	1.7
225.16492	4.2
239.18094	1.2
241.19458	2.2
243.21161	3.7
257.18805	1.8
257.22568	2.3
261.22214	3.8
265.19598	2.3
267.21136	20.2
283.20581	3.2
285.22195	15.8
335.25833	100.0
336.26117	2.0
337.27249	4.4
359.25821	18.1
371.68668	1.4
619.47260	4.1
637.48346	2.6
715.95270	1.3
800.23895	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	16.7
57.69802	6.4
61.02930	7.3
65.03940	10.3
66.56178	7.6
67.05509	100.0
69.07058	23.4
71.57622	10.2
79.05502	79.3
81.07060	84.2
83.08601	14.9
91.05488	74.4
92.40562	6.2
93.07045	88.5
95.04987	11.5
95.08599	65.3
105.07029	73.9
107.08600	63.0
109.10168	23.9
117.07008	27.7
119.08583	55.4
121.10149	36.5
129.06976	17.5
130.74608	6.5
131.08566	29.0
133.10139	50.3
135.11697	27.9
143.08571	8.7
145.10104	21.4
147.11685	42.4
149.13281	19.7
157.10159	14.0
159.11714	26.0
161.13268	29.4
171.11638	12.2
173.13263	19.8
175.14842	9.8
185.13159	15.4
187.14874	9.4
195.99290	6.7
241.19540	17.4
243.21095	10.5
257.19089	10.6
259.20541	67.1
261.22183	10.8
263.50140	8.3
270.60605	7.7
333.24252	41.5
335.25839	77.4
337.27267	9.0
394.71143	8.1
406.58203	6.8
444.35172	7.7
593.45062	11.4
611.46442	31.1
619.06793	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	811.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	13.9
61.02926	4.1
65.03931	5.9
67.05505	62.9
69.03437	26.3
69.07077	14.7
71.04987	6.7
71.09869	2.7
71.10198	4.5
73.02919	3.6
73.06542	3.8
79.05059	5.3
79.05501	100.0
79.05962	5.4
81.03425	49.5
81.07060	52.7
83.04985	24.5
83.08606	11.3
85.02906	20.2
85.06570	2.6
89.48872	2.8
91.05487	90.3
93.07050	84.5
95.04971	39.3
95.08611	35.7
97.02892	20.4
97.06536	8.2
97.10189	4.0
99.04463	5.8
103.05480	5.2
105.04506	3.2
105.07034	63.4
107.04989	13.7
107.08609	22.9
109.02875	9.4
109.06510	11.6
109.10175	4.4
115.05443	4.3
117.07024	24.3
119.08585	40.9
121.06493	5.8
121.10136	6.9
123.08085	7.0
127.03908	9.0
128.06215	8.0
129.05542	3.4
129.07011	40.2
131.04939	4.2
131.08569	18.5
133.06483	7.1
133.10149	16.5
135.04404	3.3
135.08043	3.7
135.11752	4.5
141.06992	5.9
143.08563	20.4
145.06503	9.8
145.10149	17.5
147.08101	6.8
147.11707	38.1
151.11192	2.9
155.08592	3.7
157.06459	6.1
157.10126	4.8
159.08087	6.5
159.11691	5.6
161.09662	7.3
161.13252	20.0
167.08630	3.6
169.10104	5.5
171.08073	5.0
171.11711	43.8
173.04507	16.8
173.09688	2.9
181.10100	3.7
183.08028	3.1
185.09621	5.5
187.11278	4.5
189.12741	21.6
199.14658	3.1
207.13780	39.4
213.12717	2.8
225.14937	5.2
227.14352	3.0
241.15863	6.3
251.14189	5.6
252.65027	2.6
259.17047	3.8
263.16431	5.7
269.15366	13.4
279.15927	4.4
281.17484	85.2
287.16406	14.5
310.41428	2.8
333.16882	3.0
343.19287	3.8
351.18079	4.2
361.20020	6.9
407.20364	4.9
425.21729	9.8
469.29352	5.2
487.30569	95.5
488.30316	3.4
501.31927	10.9
548.14630	3.2
549.31696	4.5
567.33466	17.0
585.34143	3.5
613.33527	4.6
631.34686	8.9
649.35474	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	808.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	21.5
57.07066	2.5
61.02934	39.1
61.93939	2.8
65.03947	3.9
67.05507	37.8
67.98649	2.1
68.95023	2.1
68.99794	3.8
69.03437	22.1
69.07076	33.7
70.03233	9.5
73.02920	14.7
75.04473	13.6
75.32514	2.3
79.05060	2.7
79.05499	37.4
81.03413	21.7
81.07061	100.0
83.08608	8.8
85.02913	81.1
87.00835	21.6
91.03961	35.5
91.05482	31.7
91.65585	2.8
93.05526	57.0
93.07052	62.9
95.04967	4.9
95.08612	75.9
95.34740	2.1
97.02895	37.7
97.10158	5.5
99.04456	12.1
105.01875	30.5
105.07038	71.9
107.08604	65.9
109.02908	16.1
109.06562	3.2
109.10167	68.2
111.11710	7.0
115.03932	4.3
117.01817	3.1
117.07019	12.4
119.08591	66.2
121.10155	40.6
123.11713	21.9
127.03927	49.8
129.01944	2.3
129.06993	3.0
131.08548	16.6
133.09241	3.0
133.10139	36.1
135.11699	40.0
137.13206	3.4
142.07738	2.4
143.08597	3.4
145.04982	39.8
145.10123	26.4
147.11705	36.1
149.13268	27.3
159.02885	6.5
159.11725	20.4
161.13251	29.3
163.06020	43.3
163.14864	19.6
171.11734	2.3
173.13275	15.8
175.14856	19.3
177.16399	19.4
184.07346	2.2
185.13264	2.8
187.14868	16.5
189.16412	18.9
191.17885	3.8
201.16434	16.5
203.17934	11.3
215.17964	25.8
229.19617	4.4
231.05070	10.7
249.06149	11.6
255.10735	13.5
271.24234	63.0
289.25296	4.8
305.08585	4.6
323.09778	5.8
375.09229	2.8
456.15750	3.0
480.12943	2.5
721.66058	2.3
751.87701	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	9.6
61.20766	1.4
61.66089	1.3
65.60959	1.3
67.05171	3.0
67.05510	40.7
69.07071	19.4
69.46306	10.5
71.05008	3.0
79.05500	34.0
80.33990	1.4
81.03420	2.5
81.07063	51.2
83.04968	4.2
83.08644	7.8
85.06544	2.4
86.09689	3.1
88.78906	1.4
91.05485	35.8
93.07046	32.8
95.01323	1.9
95.04986	4.1
95.08614	31.4
97.06546	10.7
97.10166	2.7
103.05502	2.3
105.07042	36.5
107.04981	6.2
107.08600	18.1
109.06517	5.8
109.10182	9.3
111.08096	2.9
117.07029	11.5
119.08591	20.7
121.06508	1.6
121.10159	15.7
123.04444	1.7
123.08078	2.4
123.11710	3.0
129.07042	3.0
131.08585	16.0
133.10150	19.0
135.08066	2.1
135.11707	6.4
143.08548	1.9
145.10121	11.5
147.11699	9.0
149.09613	3.1
149.13298	3.7
157.10086	1.7
159.11710	5.6
161.13217	2.8
163.11256	1.9
163.14851	1.7
173.13344	2.6
177.12804	3.6
184.07359	10.2
196.67969	1.5
203.14304	1.7
219.14084	1.8
219.17451	35.3
241.66626	1.4
257.19153	2.7
275.20093	28.9
308.04919	1.8
335.25833	74.0
336.26035	2.1
349.23700	18.9
402.85672	1.9
512.31775	1.9
556.15863	1.6
609.45184	100.0
610.45197	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	797.5173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	2.0
61.02929	6.5
67.05508	5.7
69.03437	3.6
69.07073	1.3
70.87105	0.4
70.87431	0.7
71.01363	0.6
71.05003	0.4
73.02921	4.0
79.05502	4.2
81.03411	1.7
81.07064	5.3
83.08636	0.7
85.02908	6.0
87.04468	0.4
91.03958	3.7
91.05474	1.6
93.07051	4.1
95.04996	0.5
95.08616	4.4
97.02905	5.5
99.04479	0.7
101.02386	2.5
103.03950	0.5
105.07062	1.4
107.08581	2.2
109.02917	1.0
109.10136	1.6
115.03929	0.5
117.07059	0.5
119.08598	1.2
121.10117	2.0
123.11686	0.3
127.03931	1.5
130.32156	0.3
131.08597	0.9
133.10204	0.9
135.11739	1.1
145.10135	0.8
147.11723	0.5
161.13327	0.7
179.55640	0.4
184.07404	1.3
185.04279	0.6
194.05321	0.3
203.05292	0.5
213.69479	0.3
243.08456	1.5
335.26025	0.8
519.29309	13.8
519.37134	0.7
520.29474	0.3
680.98145	0.4
797.51733	100.0
798.52173	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	798.463
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	13.9
57.07076	6.1
61.02926	13.6
62.98725	2.3
65.03927	3.2
65.23083	2.6
67.05512	28.8
69.03419	12.8
69.06761	2.2
69.07066	14.9
71.01351	2.3
71.04984	3.5
71.08631	7.2
71.57214	3.1
73.02909	3.1
74.29290	2.6
79.05501	37.0
81.03413	21.0
81.07059	32.7
83.01357	5.6
83.04983	16.6
83.08637	11.9
85.02904	21.0
85.06540	4.3
91.03972	5.9
91.05490	61.9
91.14497	2.6
93.07059	41.2
95.04992	9.6
95.08626	18.5
97.02887	20.0
97.06547	9.5
99.04445	5.1
99.08095	6.3
103.03985	2.7
105.07049	30.6
107.04941	7.4
107.08598	18.5
109.06507	10.7
109.10159	6.5
111.04494	2.8
115.05473	6.6
117.07028	49.4
119.08600	24.3
121.06486	6.4
121.10184	11.9
123.08079	11.0
127.03934	8.8
128.06241	5.5
129.05486	6.7
129.07018	28.5
131.08582	36.8
133.10172	12.6
135.08095	12.9
135.11687	11.4
137.09637	2.9
139.82977	2.9
141.07021	17.4
142.07793	4.3
143.08629	12.1
145.04947	4.1
145.06471	3.0
145.10156	27.7
147.08031	4.5
147.11714	4.6
149.09650	4.6
149.13235	2.9
155.08588	16.3
156.96637	2.7
157.10143	12.0
159.11710	9.7
159.13446	3.0
161.09595	5.0
161.13342	3.6
163.05951	3.0
163.11192	26.3
166.04916	2.3
167.08714	4.5
168.09319	3.8
169.10120	19.3
171.11685	11.1
171.13023	2.8
173.09674	7.0
173.13249	8.8
175.11229	2.7
175.14879	3.1
183.11694	13.6
184.07315	3.5
185.13268	5.6
187.11227	6.8
187.14836	5.6
197.13281	5.0
201.12758	7.2
201.16315	4.1
209.11752	10.0
213.16399	2.7
227.12762	8.7
241.19495	4.0
243.21269	3.2
257.22739	4.8
267.21118	10.8
283.06436	4.3
283.15414	100.0
283.20493	5.7
285.22174	26.2
301.21542	5.4
313.27332	10.1
333.15118	4.0
359.25766	7.7
423.22708	2.9
457.31644	3.2
501.28799	3.4
567.36566	4.1
583.39227	2.8
585.37726	5.1
798.40796	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	796.5207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	18.1
57.07059	4.4
65.03927	5.6
67.05170	6.7
67.05515	85.9
69.03436	7.8
69.07073	34.2
71.04987	8.6
77.75875	3.6
79.05506	87.5
81.03416	12.1
81.07071	96.6
83.04982	14.6
83.08617	14.3
83.29267	3.6
85.02917	5.2
91.05490	55.0
93.07057	100.0
94.07394	3.2
95.04964	15.7
95.08608	47.4
97.02902	3.2
97.06534	10.7
97.10167	6.4
99.08101	6.5
99.38514	4.2
105.07037	36.4
107.04957	8.1
107.08608	43.3
109.06535	8.8
109.10164	18.5
111.08085	6.9
117.07022	20.0
119.08578	34.0
119.82185	3.5
121.06482	6.2
121.10168	39.0
123.08080	5.6
123.11723	7.2
125.09673	4.8
127.03930	7.7
129.07005	9.5
131.08582	26.4
133.10124	19.7
135.08081	5.1
135.11717	23.2
143.08597	4.7
145.10152	24.0
147.11726	14.6
149.09636	8.9
149.13290	15.0
151.11182	4.0
157.10085	6.4
159.11713	17.4
161.13255	3.8
163.11128	5.7
171.11588	5.1
173.13284	7.6
177.12843	4.6
198.84418	3.3
215.18013	9.2
233.19044	8.8
255.15984	4.4
267.15717	4.0
269.17404	20.7
275.20117	24.3
286.76224	3.8
294.04337	4.0
307.19461	6.5
307.22736	98.8
309.20673	6.0
349.23865	23.7
402.37903	3.8
445.20538	4.2
487.34064	14.4
501.35913	64.3
541.38434	8.1
581.42249	19.6
599.42108	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	796.5208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	9.7
60.31466	1.5
61.02924	2.4
61.48742	1.8
65.03949	2.2
65.49799	1.9
67.05172	3.0
67.05509	50.6
69.03454	2.2
69.07075	18.7
71.04964	2.8
71.57494	3.1
79.05066	3.7
79.05502	56.1
79.80621	1.6
81.03426	4.3
81.07064	73.0
83.04976	6.9
83.08620	9.6
85.06541	2.8
91.04967	2.7
91.05491	35.4
91.73202	1.7
93.07054	45.0
95.04958	8.0
95.08620	35.8
97.06538	6.9
97.10149	3.4
99.08116	3.1
99.74017	1.6
100.45425	1.5
104.88615	1.6
105.07047	24.1
107.04965	4.8
107.08592	23.2
109.06523	14.1
109.10173	12.9
111.08096	3.2
117.07031	8.4
119.08604	18.8
121.06519	2.3
121.10165	23.9
123.08065	5.5
123.11716	4.5
129.07005	5.6
131.08592	16.8
133.06537	2.2
133.10123	14.6
135.08049	4.6
135.11703	10.4
137.09627	3.5
138.11154	1.5
139.11151	2.2
141.06995	2.0
143.08554	2.2
145.10135	12.1
147.08017	2.5
147.11703	16.6
149.09631	5.5
149.13248	6.8
151.11192	2.1
157.10158	3.4
159.11685	7.4
161.09671	2.5
161.13249	4.2
163.11218	3.6
169.10106	3.1
171.11749	3.4
173.13281	7.5
184.07362	1.8
185.13277	1.9
191.14296	2.1
207.13921	1.9
215.18002	6.4
229.19516	3.0
233.19035	3.9
243.77834	1.6
247.20567	2.9
257.18942	2.9
275.20062	28.9
276.20551	1.9
293.21091	6.8
307.22693	100.0
308.22961	4.0
312.34314	1.8
321.20520	2.8
335.25833	6.3
349.23776	18.0
367.24744	29.0
417.78415	1.9
501.35519	3.7
507.37738	2.1
541.38916	2.6
581.42096	31.6
599.42999	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	796.4842
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	9.7
57.07088	4.3
61.02922	5.8
62.49710	3.4
65.03976	3.8
67.05511	62.9
69.03431	4.6
69.07063	15.5
70.96609	4.2
70.96940	6.4
71.04994	6.2
71.08632	15.9
79.05495	92.8
81.03420	20.6
81.07059	52.7
81.16210	3.3
83.05001	20.6
83.08611	9.1
85.02902	6.0
85.06562	3.4
91.04962	6.5
91.05489	90.4
93.07056	72.3
93.79501	3.2
95.04989	23.3
95.08612	32.5
97.02875	5.6
97.06544	11.9
97.10108	4.8
99.08113	16.2
99.51505	4.0
103.05458	6.3
105.04517	4.0
105.07033	72.9
107.04971	14.2
107.08602	26.5
109.06505	8.4
109.10159	6.9
112.42109	3.7
115.05468	9.2
117.07024	52.1
119.08595	37.5
121.06512	10.4
121.10144	10.5
123.08073	15.8
128.06221	8.2
129.05530	5.4
129.07022	48.4
131.08588	39.1
133.06477	6.2
133.10109	11.8
135.08076	12.3
141.07005	19.2
141.12747	5.2
142.07753	5.7
143.08556	26.7
145.10165	28.9
147.08096	4.6
147.11703	32.4
149.09593	8.2
151.11217	4.2
154.07814	3.7
155.08553	13.1
155.55063	3.4
157.06497	4.1
157.10155	21.2
159.08076	3.9
159.11743	15.3
161.09628	10.3
161.13252	15.7
163.11232	3.7
167.08612	5.7
169.10147	18.7
171.11752	29.0
173.04443	4.1
173.13266	12.2
181.10077	7.3
183.11703	13.7
185.09654	6.4
185.13301	13.0
187.11192	15.2
189.12791	14.4
195.11745	4.3
197.13245	3.4
199.11156	4.2
199.14752	5.3
201.12737	16.4
203.14310	9.1
207.13757	25.1
219.13701	4.0
235.20509	3.5
239.18091	4.1
241.19392	4.2
281.17505	100.0
283.15588	4.2
283.20621	18.9
283.87994	3.8
293.17444	15.8
301.21677	19.7
356.05893	3.8
368.12302	3.7
375.25204	13.5
413.89328	3.5
481.29636	5.0
499.30615	69.2
500.30182	4.4
581.38550	27.1
797.39758	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	794.5774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	15.4
57.07073	6.6
61.02927	3.5
65.03937	4.3
67.05510	100.0
67.05872	5.0
69.06791	2.4
69.07075	31.4
70.86919	6.3
79.05501	41.0
81.07064	99.3
83.08631	18.7
85.06520	3.9
87.04467	6.9
87.64384	2.6
91.05488	27.2
93.07054	45.2
95.04972	4.0
95.08616	63.6
97.06522	5.2
97.10161	8.8
99.08134	3.5
105.07021	20.9
107.08604	30.8
109.10152	30.0
109.12908	2.5
110.26231	2.5
111.08099	3.2
117.07022	5.3
119.08607	15.7
119.93256	2.4
121.10148	21.6
123.08015	3.3
123.11710	12.3
129.07089	2.4
131.08559	8.7
133.10147	15.9
133.71313	2.2
135.11699	18.3
137.13222	4.6
139.11183	2.9
145.10083	7.5
147.11719	12.1
149.13269	10.1
159.11681	7.3
161.13275	10.8
163.14813	10.4
171.11667	2.7
173.13255	6.8
233.22710	3.0
241.19617	2.4
243.21071	8.0
259.20767	3.2
261.22171	21.1
263.23724	3.6
333.24197	3.7
335.25818	81.0
337.27386	89.3
338.27634	3.4
339.28745	5.2
544.43500	2.8
597.48859	27.2
615.49792	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	792.5621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.3
55.05266	1.0
55.05520	16.3
57.03441	11.1
57.07066	3.0
58.59013	0.7
61.02944	3.4
65.03936	3.2
65.23177	0.6
67.05513	70.2
69.03404	1.4
69.07076	15.0
70.81670	0.8
70.81997	1.1
71.04989	2.3
71.08628	1.4
73.02912	0.9
79.05502	41.6
81.07066	64.1
82.50710	0.7
83.05013	1.4
83.08626	7.0
85.02905	2.5
85.06545	2.2
85.78587	0.6
91.03974	1.0
91.05492	24.5
93.07054	47.6
95.04980	3.6
95.08619	51.4
97.02908	1.9
97.06535	2.8
97.10185	3.3
99.08105	1.5
105.04517	1.8
105.07040	19.2
107.08606	29.0
109.06525	1.6
109.10172	25.6
111.08119	2.2
117.07034	6.4
119.08598	15.7
121.10160	21.3
123.08058	1.7
123.11727	9.0
125.09662	0.8
129.06999	1.9
131.08572	12.5
133.10144	14.6
135.11713	17.0
137.09659	1.1
137.13240	2.6
141.19627	0.8
143.08548	1.5
145.10126	10.0
147.11697	11.0
149.13292	8.5
157.10165	2.9
159.11705	8.0
161.13287	8.1
163.11176	1.6
163.14893	5.4
171.11731	2.2
173.13275	7.7
175.14873	4.7
177.16431	1.3
179.14241	1.1
181.10176	0.9
185.13266	2.3
187.14780	3.6
199.14809	1.4
199.68347	0.7
201.16505	1.8
213.16350	0.9
214.80502	0.8
215.18015	1.2
231.21077	1.4
241.19522	2.3
242.62570	0.8
243.21147	5.8
245.22853	0.7
259.20667	6.7
260.20966	0.7
261.22165	18.2
263.23743	1.4
277.21701	0.8
279.23270	0.9
299.23480	1.3
305.24600	0.9
315.26779	1.0
317.24835	2.5
328.81641	0.7
333.24362	5.3
335.25830	100.0
336.26181	3.8
337.27405	8.6
373.18030	0.7
508.29388	0.8
521.43372	2.0
595.47223	12.1
613.48486	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	791.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.1
55.05490	0.7
63.02377	0.4
65.68880	0.4
67.05501	1.2
68.99794	2.2
69.07082	0.5
69.25176	4.0
71.72528	0.4
79.05492	1.4
81.07058	1.4
89.03931	3.3
91.05464	1.0
92.33433	0.4
93.07044	1.2
95.04965	0.6
95.08623	1.3
103.05450	0.9
105.07029	0.6
107.04958	1.2
107.08628	0.7
115.05484	0.4
117.03403	3.7
119.08584	0.5
123.04434	1.0
131.04964	3.1
135.04422	11.4
139.03900	0.5
141.01817	2.3
143.04948	0.8
145.01741	0.9
145.02864	11.5
145.06519	0.7
149.05986	1.7
159.04489	0.8
161.05960	1.4
163.03918	100.0
164.04242	0.7
169.06358	0.5
173.05994	1.1
183.04456	0.5
187.03931	1.5
189.05518	1.2
190.44135	0.4
201.05534	1.0
205.05045	2.0
213.05571	0.8
217.05023	6.8
219.06580	0.7
229.05124	0.5
241.04956	0.7
247.06036	5.4
259.06039	28.3
260.06329	0.4
269.49518	0.4
291.19571	4.0
293.17569	1.0
304.12070	0.6
425.19489	0.4
435.21381	0.8
453.22754	31.5
454.23206	0.9
460.81689	0.4
471.23782	3.4
527.26440	35.4
528.26477	1.5
545.27179	0.7
773.30573	0.6
786.02301	0.4
791.41071	3.6
824.84869	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.6
55.05260	1.6
55.05517	24.7
57.03448	7.6
57.07093	5.8
65.03935	4.0
67.05511	98.8
69.03440	11.4
69.07073	20.3
71.01358	1.5
71.05009	5.9
71.06096	3.0
71.08624	2.1
73.02918	2.2
77.03974	1.3
79.05501	75.1
81.03429	12.5
81.07066	100.0
82.07410	1.3
83.04978	4.2
83.08630	11.1
84.08121	1.1
85.02915	9.8
85.06554	4.2
91.05489	47.9
91.06071	2.3
93.07055	83.3
95.04985	8.7
95.08616	82.5
97.02920	8.3
97.06551	6.9
97.10178	4.6
99.04465	3.0
99.08078	2.4
105.04522	1.5
105.07039	42.9
107.04964	2.4
107.08604	51.3
108.04515	1.1
109.02905	1.5
109.06524	3.5
109.10168	39.3
111.04441	3.9
111.08096	4.3
113.09636	1.7
115.05453	1.2
115.70946	1.0
117.07028	19.3
119.08596	30.6
121.06542	2.8
121.10155	45.4
122.10449	1.2
123.04435	1.4
123.08062	2.0
123.11721	17.9
125.09651	2.8
127.03939	4.1
128.06255	2.4
129.05466	1.8
129.07024	7.5
130.07764	1.2
130.15932	2.7
131.08577	35.6
133.06470	1.8
133.10150	24.1
135.08025	2.5
135.11713	32.8
137.06065	1.2
137.09605	2.7
137.13225	5.9
139.11201	2.0
141.07016	3.1
142.07837	1.8
143.08595	6.2
145.04990	2.2
145.06409	1.3
145.10130	24.1
147.08018	2.0
147.11693	18.5
149.05905	1.0
149.09636	1.4
149.12195	1.6
149.13287	23.2
151.07587	1.8
151.11188	3.3
151.14841	1.5
153.07085	1.2
153.12782	1.8
155.08582	2.4
157.10162	5.7
159.08086	2.0
159.11707	21.8
161.09554	1.5
161.13268	13.2
163.11209	2.5
163.14842	12.6
165.12851	1.9
169.10123	2.9
171.08003	1.5
171.11734	4.6
173.09555	1.0
173.13277	19.3
175.14868	6.5
177.12701	3.1
177.16382	4.6
179.14293	3.0
181.10188	1.3
183.11732	3.1
185.13242	3.3
187.11197	1.3
187.14815	9.9
189.12808	1.5
191.14375	1.6
195.11736	1.6
197.13307	1.8
199.14845	2.6
201.16414	2.9
204.65813	1.1
205.16008	2.2
209.13313	1.5
213.16623	1.1
219.17596	2.3
225.12645	1.4
233.22797	2.8
241.12549	1.1
241.19641	1.7
243.21097	26.5
259.20645	5.0
261.22171	79.4
262.22647	1.4
263.23856	1.2
273.22174	1.4
277.21643	4.0
279.23242	4.2
285.22049	2.2
289.21619	2.8
291.23145	1.5
295.15552	1.5
301.21536	1.8
303.23172	3.9
313.21536	1.5
315.23248	2.2
319.22583	1.4
327.22998	1.9
331.22601	1.3
335.25793	20.8
341.24911	2.4
345.24341	1.7
351.23221	2.5
353.26855	16.4
369.24176	10.4
387.25253	7.8
405.26495	8.6
423.27481	5.5
467.57144	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.3
55.05510	0.7
66.86972	0.4
67.05492	1.7
68.99794	2.2
69.07074	0.6
69.60950	2.8
72.55066	0.4
75.34773	0.4
79.05499	1.5
81.07049	1.6
83.08610	0.5
89.03922	2.9
91.05457	1.0
93.07037	1.2
95.04989	0.5
95.08598	1.0
103.05448	0.7
105.07040	1.2
107.04944	1.4
109.10159	0.7
111.00813	0.5
115.05433	0.5
117.03391	4.3
119.08513	0.6
121.10210	0.6
123.04436	1.0
131.04939	2.5
133.10124	0.4
135.04419	10.9
135.11678	0.6
141.01833	2.1
143.04927	0.6
145.02859	9.0
147.11693	0.5
149.05995	2.5
155.05017	0.6
161.06020	0.6
163.03914	100.0
164.04279	1.0
171.11565	0.6
173.05980	1.1
183.04401	0.5
184.07396	1.5
185.05984	0.6
187.03940	1.5
189.05548	0.9
197.05988	0.6
201.05475	1.2
203.12389	0.4
205.05006	1.5
213.05482	0.7
215.03549	0.4
217.04987	6.4
219.06587	0.8
223.19334	0.4
229.05066	0.4
231.06425	0.5
241.04863	0.4
247.06026	5.5
259.06027	30.0
260.06439	0.5
291.19540	4.6
293.17688	0.4
435.21753	0.9
453.22751	28.4
454.22839	1.2
465.21497	0.5
471.23895	3.4
527.26434	35.1
528.26410	0.8
684.42780	0.6
791.41565	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	791.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.3
57.03455	1.2
59.56535	0.2
60.33479	0.2
61.02908	0.6
65.03939	0.7
68.99790	0.3
69.03423	0.7
71.04998	6.9
71.56731	0.2
72.20020	0.2
73.02917	0.4
75.04499	0.3
75.96282	0.1
80.34106	0.1
81.03413	0.4
83.04956	0.5
85.02911	9.4
87.04474	0.3
90.79784	0.2
91.03956	0.2
91.05463	0.5
93.03410	1.3
97.02898	0.9
99.04452	0.2
109.02882	0.3
111.00800	0.5
111.04451	5.6
119.04959	0.3
121.02853	0.7
123.04441	1.9
127.03949	0.5
129.05470	1.7
137.02342	3.5
137.05977	0.2
139.03912	15.5
147.06525	0.3
149.02382	0.3
153.01831	5.0
163.03899	0.6
165.01825	1.3
166.02493	0.2
173.06046	0.2
181.03363	0.3
181.04962	5.1
181.06520	0.4
183.02899	0.6
197.05840	0.2
201.05528	0.8
203.03401	0.4
204.06752	0.2
207.02899	0.3
213.05431	0.2
219.06520	0.2
229.04948	2.5
237.05414	0.3
241.04991	0.2
247.05927	0.4
253.05124	0.2
255.06546	0.5
257.04434	1.9
263.10263	0.2
265.04980	0.4
274.04739	0.6
281.04388	0.3
283.06055	0.5
285.04059	1.2
286.04535	0.2
287.05536	0.4
299.05594	0.3
299.10217	0.5
303.05005	100.0
304.05347	2.5
305.11465	0.2
306.11841	0.2
311.05756	0.2
313.03482	2.2
313.07086	0.3
315.04929	0.7
317.11285	0.3
319.04535	0.4
321.03986	0.2
327.04996	0.8
329.02866	0.5
329.06531	3.4
331.04523	0.5
343.04575	0.6
345.10748	0.5
348.10968	0.2
355.04456	2.9
363.11844	2.7
373.05490	2.2
377.06717	0.3
405.06122	0.4
419.07416	0.3
423.07031	1.2
437.08713	1.9
447.07233	0.7
449.10660	0.2
465.08237	2.9
483.09256	11.6
484.09570	0.6
645.12933	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	24.7
57.03435	10.5
67.05505	83.4
69.07058	10.4
69.33531	47.2
76.43403	5.1
77.26960	5.2
79.05495	66.5
81.07063	65.9
83.08635	14.0
86.09734	8.5
91.05472	35.5
93.07047	66.5
95.04937	6.4
95.08612	53.6
98.21536	9.8
105.07047	25.0
107.08585	30.0
108.36966	5.9
109.10139	33.1
117.07040	13.6
119.08589	28.2
121.10138	25.7
123.11709	15.1
129.07079	5.9
131.08578	19.0
133.10143	21.1
135.11679	30.7
145.10139	17.4
147.11681	22.2
149.13263	17.1
159.11646	13.2
159.48085	5.2
161.13309	12.4
163.14839	7.8
173.13289	12.6
176.57436	5.1
184.07397	23.7
211.67738	5.1
215.17944	21.6
231.17403	9.5
233.19028	18.4
243.21117	7.2
261.22098	14.6
305.20981	6.3
307.22644	98.5
307.25858	7.5
335.25815	100.0
337.27420	8.6
410.26248	5.5
493.40848	6.7
567.43988	26.8
585.45740	8.6
691.96851	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	791.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.5
55.05493	0.3
56.62833	0.2
57.03439	2.6
61.02889	0.9
65.03947	1.4
66.45483	0.3
68.99782	0.6
69.03435	2.0
70.92282	0.8
71.01337	0.4
71.05000	13.0
73.02904	0.7
75.04468	0.8
76.84506	0.3
81.03396	0.9
81.74972	0.3
83.04942	0.5
85.02913	18.2
87.04441	0.8
91.03931	0.4
91.05457	0.9
93.03419	1.7
95.97254	0.3
97.02921	1.5
109.02853	1.0
111.00780	0.6
111.04446	6.9
119.04906	0.3
121.02847	1.1
123.04402	0.5
127.03917	1.1
129.05482	4.2
135.04408	0.4
137.02356	9.3
137.03406	0.7
139.03911	20.9
145.04948	0.6
147.06497	1.0
149.02348	0.7
153.01834	2.5
154.96019	0.3
161.02402	0.4
163.03925	2.4
165.01888	1.7
179.03410	0.4
181.04971	3.5
183.02837	0.5
187.03922	0.5
189.01768	0.4
201.05499	0.9
203.03391	0.3
205.01439	1.7
217.01295	1.6
219.02911	0.3
227.03302	0.4
229.04979	3.4
231.02919	0.6
241.05016	0.6
245.04353	0.5
247.05890	0.6
253.04904	0.6
255.02913	0.6
257.04459	2.4
269.04489	0.6
273.03885	1.0
274.04822	0.7
281.04477	0.7
285.04019	1.5
299.05478	0.7
302.04379	0.4
303.05011	90.4
304.05313	2.6
305.02869	0.7
315.04889	0.5
325.07101	0.5
329.02905	3.2
329.06616	4.1
331.04398	2.1
345.05991	0.6
347.04099	3.0
348.04330	0.3
353.06879	0.4
355.00427	0.6
355.04474	6.7
363.11868	0.3
367.08313	0.6
373.05484	2.2
377.06683	1.7
395.08173	0.4
395.51566	0.3
401.06598	0.4
405.06070	0.8
423.07101	12.6
424.07401	0.4
447.96295	0.3
449.10663	0.4
465.08200	8.1
466.08749	0.7
483.09247	100.0
484.09692	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	789.2
Annotation	Unknow
Peak:m/z	Relative Intensity
62.91007	1.2
66.44550	1.2
66.64310	1.5
69.03435	1.9
70.98582	3.3
75.84184	1.6
78.75088	1.3
85.02899	3.9
91.05476	1.6
97.02859	1.7
98.97605	2.0
110.82416	1.2
119.01910	2.6
119.04959	3.6
127.03943	3.4
128.98590	1.5
129.11258	1.3
131.01926	4.6
134.99957	1.8
135.04399	3.7
136.02664	1.4
141.98549	1.3
143.01880	1.8
145.02815	2.5
147.04436	15.4
153.00966	3.0
161.02905	1.6
162.99426	8.8
163.00739	1.1
163.03894	23.7
164.04314	2.3
164.98918	1.5
173.03015	4.4
177.00902	3.7
182.99963	1.9
185.03001	1.9
186.02846	1.3
189.00906	3.2
190.98918	2.4
201.00929	9.9
203.02420	4.0
203.04099	3.1
205.00444	4.3
213.00931	7.9
215.02522	4.2
219.00078	1.7
219.01999	23.0
219.03978	2.4
220.02124	2.1
225.00969	6.2
227.02548	5.9
229.00586	2.8
230.99989	1.8
231.02071	12.4
237.00906	16.0
237.02965	2.3
239.02412	3.0
241.00528	3.3
243.01999	31.9
243.04257	2.5
244.02420	2.3
245.03331	3.1
245.05354	3.2
247.01558	1.9
249.00937	11.4
255.02034	100.0
256.02164	5.7
257.03583	5.7
259.01431	2.2
261.03122	9.4
265.00461	3.3
267.02017	63.2
268.02203	5.2
269.03607	7.2
273.03064	18.8
278.03842	1.7
279.01978	19.0
281.03766	1.7
281.07004	2.2
283.01575	15.6
285.03122	46.8
291.01920	2.5
297.03101	35.4
298.03122	2.3
303.04099	12.3
307.01587	1.5
309.02975	10.9
315.04181	4.0
320.04776	1.6
321.02911	5.4
327.04099	52.6
328.04211	2.7
339.04178	13.8
343.02579	1.5
345.05188	71.2
346.05447	6.8
349.64874	1.4
357.05148	13.8
358.05698	2.0
363.06277	2.7
365.09146	2.8
367.36276	1.5
368.06821	2.9
369.05011	4.7
375.05829	2.0
387.06256	43.9
388.06436	3.6
399.06204	5.4
405.07306	30.5
428.08960	2.1
429.07578	10.1
447.08426	21.7
465.09564	15.6
477.09549	2.3
483.10406	3.7
507.10492	82.7
508.10519	4.2
519.10498	10.3
537.11536	1.8
549.11749	6.8
567.12329	5.1
789.20203	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	789.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	0.3
57.03441	2.2
61.02897	0.7
67.05469	0.3
68.91109	0.3
69.03438	1.8
69.15468	0.3
69.28289	0.9
69.28709	2.0
69.52723	0.3
70.32248	0.3
70.62357	0.3
71.04997	13.2
71.05362	0.4
73.02882	0.7
75.04441	0.6
81.03387	0.9
83.04938	1.4
85.02909	21.7
87.04440	0.4
97.02890	2.0
99.04382	0.4
109.02851	0.4
114.09523	0.3
123.04420	0.4
127.03917	0.8
129.05486	4.3
137.02330	1.7
145.04950	0.6
147.06477	0.9
150.03096	0.5
159.26607	0.3
197.61287	0.4
203.03339	1.2
216.03986	0.4
227.03375	0.4
228.04175	0.4
243.03091	0.5
244.03758	1.6
245.04393	0.5
250.10992	0.4
257.04401	1.0
259.02420	0.8
271.02380	14.3
285.03976	0.8
289.03430	0.8
302.05530	0.5
303.06445	1.1
319.05997	2.6
320.06726	0.8
326.03711	0.4
337.07141	0.7
340.99680	0.4
347.05429	1.8
348.06238	0.4
359.00845	0.9
359.05414	0.7
361.02206	0.4
365.06577	3.5
375.04977	0.5
376.05707	1.9
377.01825	5.4
393.05963	0.7
395.02817	1.7
403.04349	0.4
421.05554	100.0
422.06213	9.3
463.06769	0.6
481.07684	98.4
482.07935	3.2
643.04138	0.9
661.05219	1.5
751.97668	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	10.3
55.05518	31.8
57.03424	14.1
57.11397	3.9
57.73462	3.8
65.03941	4.1
67.05506	71.8
69.03428	5.3
69.07072	23.2
71.05003	6.6
71.56683	4.7
79.05058	6.0
79.05494	91.8
79.56870	4.1
81.03422	18.1
81.07054	99.9
83.04984	21.0
83.08615	18.2
85.02872	7.0
85.06577	6.3
91.05483	80.6
93.07047	81.2
95.04969	40.6
95.08586	32.9
97.06505	10.1
97.10165	18.8
105.07037	52.1
107.04977	22.4
107.08587	31.7
109.06502	15.8
109.10152	15.6
111.04440	13.3
111.08060	7.3
115.05476	5.5
117.07017	17.4
119.08595	38.3
121.06466	8.0
121.10136	14.9
123.08051	21.8
125.09619	17.9
127.03893	4.3
128.06213	5.7
129.07005	22.4
131.08563	15.1
133.06474	4.3
133.10150	20.1
135.08076	7.9
135.11699	12.2
143.08551	15.8
145.10120	20.5
147.08044	14.7
147.11719	28.0
149.09645	7.1
153.12732	5.6
155.08540	5.8
157.10130	7.4
159.11693	8.8
161.09644	19.4
161.13286	10.0
163.11200	16.2
165.09160	4.9
171.11700	24.3
173.13367	4.4
181.12201	5.1
184.07372	7.8
187.11365	4.6
189.11273	9.6
189.12764	9.9
191.10765	7.2
207.13754	38.3
223.13306	6.7
227.12759	20.0
273.18469	43.5
281.17474	91.9
283.15366	4.6
291.19531	60.4
309.20386	4.8
345.74316	4.0
347.22165	17.4
365.23178	31.3
383.24127	8.5
451.27231	5.9
553.35187	20.4
571.36304	100.0
589.37726	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.4
55.05510	23.5
57.03441	19.1
67.05509	79.5
69.03419	9.2
69.07081	30.7
69.08789	3.3
70.08344	11.5
71.05006	15.3
79.05056	6.5
79.05495	100.0
79.86522	3.5
81.03416	21.1
81.07062	64.9
83.04999	20.6
83.08606	9.3
85.02916	7.3
85.06551	4.9
91.05483	79.8
92.01109	3.7
93.07055	86.6
95.04961	26.9
95.08627	32.9
97.02881	6.1
97.06532	42.0
97.10184	5.3
98.20603	2.9
99.08103	7.6
103.05464	5.8
105.04436	3.4
105.07034	56.3
106.07350	3.2
107.04946	14.9
107.08601	29.8
109.06519	19.4
109.10149	8.3
111.08044	12.4
115.05473	5.6
115.07586	7.8
117.07019	22.0
119.08593	39.5
121.06481	7.5
121.10127	13.1
123.08080	9.8
126.05546	3.5
127.07588	3.5
127.27362	3.0
128.06194	4.5
129.07007	23.2
131.08594	15.4
133.06473	5.0
133.10158	23.6
133.11031	4.7
135.08064	10.2
135.11722	7.9
143.08566	13.5
145.10130	15.0
147.08014	6.6
147.11691	36.9
149.09602	6.9
149.13277	7.3
151.11153	4.3
157.10143	7.6
159.11722	12.7
161.09621	9.0
161.13277	8.6
163.11221	5.7
169.10036	4.7
171.11678	28.8
175.11131	4.9
185.13277	3.4
187.11223	4.6
189.12761	11.8
195.13821	4.3
199.14871	4.2
207.13782	25.7
217.15959	9.4
227.17967	4.6
229.59775	3.2
253.14294	4.7
269.17511	14.3
273.18497	32.5
281.17487	65.1
286.90637	3.5
291.19565	16.4
347.22180	13.9
365.23227	9.9
461.29086	9.0
475.30579	47.7
513.32526	4.9
553.35229	10.7
571.36432	20.0
589.36749	5.7
785.93768	3.5
786.08887	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	17.1
55.05520	23.3
57.03429	8.0
65.03938	6.9
67.05509	100.0
69.03427	4.9
69.06725	2.8
69.07076	37.6
71.04993	5.9
71.56660	3.5
71.57114	3.1
79.05501	88.6
81.03426	14.8
81.07066	64.3
83.04988	16.5
83.08611	10.8
85.02908	2.8
85.06537	4.4
86.68177	2.6
89.15026	2.6
91.05486	87.3
93.07049	85.9
95.04975	29.5
95.08045	3.9
95.08613	49.7
97.02887	5.5
97.06542	20.3
97.10155	6.2
104.41499	2.2
105.04596	3.1
105.07042	54.0
107.04962	18.7
107.08601	23.3
109.06515	8.6
109.10171	25.7
111.08125	3.0
115.05431	4.1
117.07038	18.5
119.08594	32.3
121.06500	3.5
121.10150	11.5
123.08038	8.5
125.09658	3.5
129.07016	19.5
131.08580	15.5
133.10132	19.5
135.08142	2.9
135.11691	7.5
137.09618	11.1
141.07016	3.3
143.08577	11.8
145.10175	18.5
147.08075	4.1
147.11691	35.7
149.09618	21.4
157.10104	3.3
159.11732	6.2
161.09595	6.7
161.13264	10.7
163.11174	11.4
169.10162	3.8
171.11679	22.9
173.09657	3.4
173.11711	9.2
173.13164	5.0
177.12767	3.0
179.14294	8.0
189.12752	12.1
198.13039	3.0
207.13818	32.0
218.03886	2.7
222.37668	2.4
229.14299	6.7
229.19604	2.6
257.19016	6.8
273.18518	3.5
275.20081	25.3
281.17505	48.9
291.19543	6.3
293.21075	4.5
349.23605	21.3
365.23013	2.8
377.23199	4.1
435.27496	30.5
459.31198	3.0
500.70990	2.6
555.36725	35.0
614.17303	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	784.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	7.4
55.05514	17.3
57.03439	7.6
62.77467	1.8
67.05509	29.4
69.03431	1.6
69.07067	6.6
71.56322	2.6
79.05497	42.5
81.03432	9.2
81.07063	28.9
83.01369	3.1
83.04983	14.1
83.08618	7.9
85.02932	2.5
91.05483	33.7
93.07050	45.9
94.20827	2.0
95.04972	15.8
95.08617	14.1
97.02896	2.1
97.06530	4.2
97.10163	5.0
105.07025	26.6
107.04949	10.4
107.08588	17.0
109.06519	4.9
109.10149	6.7
111.04423	4.3
111.08108	2.5
115.05374	1.6
117.07036	10.1
119.08591	18.5
121.06541	2.6
121.10146	7.9
123.08078	7.1
125.09629	2.7
129.07011	10.4
131.08582	3.3
133.10146	6.5
135.08070	4.8
135.11702	5.7
137.09605	3.0
138.86194	1.7
143.08577	6.6
145.06471	2.1
145.10127	13.2
147.08060	3.1
147.11702	18.0
153.12747	2.7
157.36372	1.8
159.08098	4.1
161.09668	1.9
161.13246	2.9
163.11191	12.1
171.11707	15.5
173.09689	3.7
189.11188	2.0
189.12814	4.5
191.10643	4.3
207.13780	14.5
209.11726	5.5
226.75345	2.2
227.12831	6.8
271.16986	2.0
281.17477	58.6
283.15390	19.9
289.18234	8.3
307.19083	3.6
363.21811	2.3
381.22644	9.2
396.65308	2.0
427.91995	1.9
471.27209	5.7
489.28485	100.0
490.28638	5.0
551.33734	2.3
569.34698	13.6
587.35742	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	783.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
71.56143	0.7
85.02805	0.8
91.05491	3.3
94.23579	0.7
97.04710	0.6
119.04223	0.5
119.04940	6.2
122.09605	0.8
128.99164	0.6
136.51430	0.7
138.09055	0.7
147.04424	18.2
156.84816	0.6
164.07050	0.7
199.12285	1.0
225.10324	3.5
226.11028	3.7
241.13446	3.3
243.59349	0.7
245.08958	0.6
258.56595	0.6
263.10672	1.6
265.93219	0.6
266.12817	0.8
269.09213	1.9
277.12082	0.7
278.12936	0.8
284.11548	2.0
285.12347	39.7
285.32440	0.8
286.12671	1.1
305.15308	0.8
310.11966	4.1
315.09769	0.6
318.12573	0.8
318.16119	0.9
319.16855	5.0
322.11880	2.4
332.13925	0.7
333.14825	0.9
334.11981	1.0
334.19183	1.4
336.13336	3.1
346.15530	3.1
347.16257	2.9
348.13412	2.4
349.14209	0.9
350.14926	1.1
362.11191	5.1
362.14676	0.9
362.18744	1.6
363.15936	2.1
364.16702	1.9
376.12860	10.7
376.17007	1.1
377.13593	4.2
378.18158	22.4
379.18265	0.7
380.19589	1.9
388.16577	0.8
389.14944	0.7
390.14459	3.0
391.15289	7.7
392.15842	1.0
405.17459	0.9
406.17636	100.0
407.17975	5.4
407.32724	0.7
408.19223	12.7
436.18546	1.5
451.17145	0.7
452.18225	59.0
453.18396	3.0
479.17188	0.6
482.19226	1.4
589.26447	2.2
616.22913	30.8
617.23035	1.0
619.27417	1.4
640.23834	0.7
646.23944	43.8
647.24603	3.1
711.29413	0.7
737.53851	0.7
753.17993	0.9
753.31256	17.3
754.31818	1.1
764.52728	0.8
783.32367	40.8
784.32782	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	783.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05676	0.4
59.61977	0.4
66.24886	0.4
71.56252	0.7
73.13860	0.4
80.75791	0.5
91.05476	2.6
93.06989	0.9
100.98818	0.5
119.04962	4.1
122.05994	0.4
136.07527	1.0
138.09158	0.5
147.04417	12.1
154.64703	0.5
164.07112	2.9
199.12259	0.7
200.13048	0.8
218.10500	0.9
241.13374	2.4
243.11295	1.6
258.13641	1.4
259.11661	1.0
259.14444	20.1
276.53125	0.5
278.13058	0.7
284.11520	0.7
285.12299	4.9
291.14111	0.5
292.14551	1.3
292.18140	1.4
293.18875	1.9
306.16058	2.0
307.16690	1.1
310.15625	0.6
319.16971	0.6
320.17548	4.6
321.18384	7.4
322.15277	1.1
328.74353	0.5
334.15640	0.6
334.19153	2.4
336.13416	3.5
336.17148	1.6
338.18802	0.5
350.15057	6.8
351.15784	1.4
352.16107	0.9
352.20218	12.0
354.14426	0.7
361.14542	0.5
362.15042	0.7
362.18665	5.4
364.16550	3.3
364.20245	0.8
365.17371	6.6
366.18140	1.4
367.19043	1.1
377.13718	1.5
378.18243	3.4
380.19714	98.6
381.20001	4.7
382.21252	7.8
390.18143	0.7
391.15350	0.6
392.19995	0.8
393.16931	2.7
396.52701	0.5
398.20615	0.8
406.17642	13.6
408.19363	2.6
411.18063	1.5
418.17496	1.0
425.20178	0.6
426.20258	87.7
427.20605	3.6
436.18744	7.3
437.19223	0.6
452.18176	3.3
453.15521	0.8
464.18628	0.6
482.19162	2.1
589.25391	0.6
590.24994	72.7
591.25085	3.9
616.23004	1.3
619.27679	1.9
620.26068	100.0
621.26263	5.1
646.24084	13.0
647.23444	0.7
652.25873	0.6
753.30975	7.1
754.30719	0.6
783.32324	16.1
784.32324	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.5462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	25.8
56.05036	5.3
57.03434	16.2
57.07065	2.4
58.14684	2.3
60.08155	3.6
65.03951	5.6
67.05510	96.5
69.07072	22.4
70.96900	4.5
71.04967	3.0
75.94664	2.7
79.05499	68.3
81.07064	100.0
83.08627	11.2
83.35628	2.3
85.02923	4.9
85.06531	4.1
86.09725	22.0
91.05481	38.7
93.07054	73.3
95.04983	5.9
95.08615	88.2
97.06512	4.3
97.10159	4.1
99.08115	2.5
102.63823	2.2
104.10757	3.8
105.04437	2.9
105.07037	34.7
107.08595	43.0
108.52229	2.5
109.06572	4.5
109.10158	33.4
117.07013	8.7
119.08574	20.9
121.10157	31.6
123.08062	2.7
123.11723	12.2
125.00022	15.1
129.07001	3.0
131.08589	20.6
133.10173	23.3
135.08087	2.8
135.11714	21.0
143.08632	2.5
145.10117	14.9
147.11708	17.3
149.13258	13.3
151.07619	2.8
159.11708	16.8
161.13298	10.3
163.11176	3.4
163.14842	4.8
171.11725	3.4
173.13219	13.9
175.14850	3.6
184.07341	53.1
187.14839	4.6
196.15718	2.4
216.40179	2.4
229.19464	4.5
243.21225	4.7
245.19061	4.9
247.20642	9.3
259.20575	6.1
261.22137	14.0
319.22885	3.1
321.20676	4.4
321.24277	69.9
323.25836	5.9
333.24274	5.5
335.25824	82.3
336.26294	3.8
337.27374	5.1
460.42554	2.8
507.42157	4.1
518.24030	2.6
581.45776	19.6
599.46906	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	781.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05528	3.4
56.90287	0.6
57.07071	1.9
65.94264	0.6
67.05493	2.9
68.99793	1.6
69.03422	0.9
69.07076	5.9
71.04991	1.0
72.12479	0.7
79.05490	1.8
80.07317	0.6
80.82323	0.6
81.03406	0.7
81.07055	4.6
83.04993	1.2
83.08614	3.9
83.60727	0.6
91.05507	1.2
93.07038	2.7
95.08616	4.3
97.06543	2.1
97.10172	2.5
98.20794	1.4
103.67920	0.6
107.04969	0.6
107.08614	2.4
109.06486	0.8
109.10156	2.1
111.00809	6.4
111.04443	1.3
111.08082	1.3
119.08578	1.0
121.10174	3.0
123.08092	1.1
125.05975	1.3
125.09577	0.9
127.03933	5.9
131.08588	0.8
135.11670	1.2
139.03922	20.0
139.11172	0.9
149.13290	0.9
153.09201	0.8
163.11191	0.8
167.07040	0.8
167.10617	0.7
171.10162	0.9
177.16467	0.8
181.08580	0.9
191.14381	0.6
195.10161	1.8
209.11778	2.3
219.17520	1.5
223.13298	2.1
237.14937	1.0
237.18553	3.0
245.26024	0.7
255.19391	0.7
257.21335	0.9
265.18100	2.3
271.13364	0.8
279.19595	19.3
289.17923	1.0
300.71051	0.6
307.19067	36.8
308.19461	0.8
323.22171	2.6
327.13821	0.7
349.20154	2.1
360.00333	0.6
367.24069	0.7
391.21176	100.0
392.21381	3.6
543.59845	0.7
756.37677	0.7
781.41693	1.1
804.54321	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
55.05513	2.2
57.03438	1.9
61.02938	4.2
65.03934	0.6
67.05511	4.8
68.46109	0.4
69.03437	2.9
69.07078	2.2
69.45511	0.9
69.45916	2.4
71.05015	0.8
73.02914	2.7
79.05499	5.6
81.03417	2.9
81.07066	6.6
83.04531	0.4
83.04999	1.6
83.08634	1.0
85.02912	5.1
91.03979	1.9
91.05492	5.1
93.07057	5.1
95.04990	1.6
95.08611	3.6
97.02903	3.2
97.06552	0.8
101.02417	1.9
105.07067	3.4
107.05022	0.7
107.08618	2.7
109.02903	0.7
109.06535	0.7
109.10186	1.0
113.46127	0.4
117.07000	1.1
119.04964	1.3
119.08597	2.8
121.10186	1.4
123.04470	0.4
123.08084	0.6
127.03927	0.7
129.07053	1.6
131.04987	0.4
131.08594	0.9
133.10147	1.6
134.10526	0.5
135.04445	0.7
139.06593	0.5
143.08627	0.9
145.10164	1.0
147.04434	6.3
147.11769	1.7
151.43642	0.4
154.63077	0.5
159.11797	0.7
161.09619	0.5
161.13260	0.7
163.03934	6.2
163.11160	0.6
171.06653	0.5
171.11723	1.2
185.04202	0.6
189.66171	0.4
201.05524	0.9
217.05069	0.6
243.06493	1.4
243.08546	3.0
247.13136	1.1
259.05978	2.2
303.15985	0.7
333.20593	1.9
350.24948	0.5
407.66302	0.6
433.33484	0.5
437.23215	2.3
439.19446	0.9
453.22549	2.1
465.20990	10.3
511.27139	1.8
527.26508	1.5
549.39197	0.5
551.28381	5.1
775.42413	100.0
776.42920	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	775.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.6
55.05510	3.3
57.03436	2.0
57.66699	0.6
59.78250	0.6
61.02929	4.7
65.03957	0.6
67.05509	6.4
69.03429	2.7
69.07071	3.4
71.04995	1.2
71.57130	0.6
73.02930	3.6
79.05502	7.6
79.57142	0.5
81.03448	2.8
81.07065	10.2
82.07399	0.7
83.04996	1.3
83.08637	0.9
85.02922	3.5
91.03953	2.7
91.05490	6.1
92.05849	0.6
93.07042	6.6
95.04983	2.2
95.08601	4.7
97.02902	4.6
97.06545	0.8
97.10185	0.7
99.04477	0.9
101.02396	1.8
105.07028	4.4
107.04984	0.9
107.08614	3.4
109.02919	1.2
109.06535	1.6
109.10168	1.1
115.08324	0.6
117.07000	1.2
119.08598	3.3
121.06503	0.8
121.10111	1.0
123.08069	1.2
123.11715	0.7
127.03950	1.6
129.07036	2.0
131.08614	1.3
133.10181	1.8
135.08090	0.6
135.11754	0.9
145.10172	1.0
147.11690	3.2
149.09662	0.9
149.13309	0.8
161.13295	1.0
163.11229	0.7
171.11707	0.9
184.07341	0.7
185.04266	0.9
189.12856	0.8
243.08441	3.6
247.13138	1.8
259.08054	0.6
269.17520	0.8
270.17810	0.7
275.20358	0.6
303.15494	0.8
333.20358	3.2
389.23343	0.6
423.19995	0.7
425.21591	0.7
437.37054	0.5
465.20959	9.9
481.20193	0.8
551.28552	6.0
647.33984	0.9
775.42426	100.0
776.42798	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	777.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.0
55.05508	0.6
67.05513	1.2
68.99789	1.3
69.07077	0.7
71.56691	0.5
79.05486	1.8
81.07056	2.2
83.08620	0.4
86.09694	0.5
89.03931	2.5
91.05468	1.4
93.07059	1.3
95.04979	0.6
95.08605	1.3
103.05466	0.7
105.07018	0.6
107.04947	1.3
109.10181	0.6
117.03392	3.8
121.10094	0.8
123.04466	0.9
131.04927	2.5
135.04431	10.8
137.02420	0.8
137.06035	0.7
139.03922	0.9
141.01819	1.8
145.02849	8.9
149.05989	1.5
159.04410	0.7
163.03915	100.0
164.04240	1.5
173.05954	1.1
187.03918	1.3
189.05530	0.9
192.91586	0.5
201.05464	1.7
205.04967	1.5
215.03384	0.6
217.04953	7.1
219.06583	1.2
241.05151	0.7
247.06053	6.8
259.06039	32.0
277.18018	4.4
279.15860	0.9
421.20105	0.8
439.21194	42.4
440.21548	1.4
457.22147	2.7
513.24878	31.2
514.25195	1.0
531.25940	1.8
644.99316	0.5
777.40466	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	775.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.6
61.02917	0.9
62.55171	0.5
69.03413	0.7
69.38354	4.5
71.04638	1.0
71.04998	10.7
81.03423	0.7
83.04972	0.8
85.02914	13.0
91.05492	1.4
92.02637	0.7
93.03385	0.5
95.04976	2.9
95.21851	0.5
97.02918	1.4
107.04965	14.0
111.00813	0.6
111.04441	0.8
115.52816	0.6
119.04947	6.6
121.02874	1.8
123.04433	8.6
129.05505	2.4
137.02339	1.3
139.03876	0.8
147.04420	5.3
147.06511	0.6
153.01846	12.2
163.03854	0.5
165.01814	1.6
165.05482	2.6
203.03387	1.1
212.49553	0.5
215.07062	0.6
217.05025	1.2
228.04242	0.9
229.05020	2.4
239.07114	1.0
244.76971	0.5
245.04575	1.6
257.04578	1.6
258.05630	0.6
259.06241	0.7
271.06122	0.7
273.03970	1.4
274.04773	1.5
285.04004	2.0
287.05490	4.7
301.03485	3.3
302.04202	12.6
303.05005	37.1
304.05322	1.2
312.57950	0.6
315.04993	3.1
327.05212	1.0
342.03830	0.7
343.04514	5.9
361.05499	2.4
421.09204	12.6
449.09390	1.1
467.09769	100.0
468.10236	4.8
509.10571	0.7
629.06085	1.6
650.18304	0.6
658.60760	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.4
55.05477	0.4
57.03444	3.2
61.02906	1.4
68.99806	0.6
69.03424	1.7
69.45085	2.6
70.52103	0.3
71.04999	15.6
73.02893	0.6
75.04475	0.5
81.03416	0.7
83.04971	0.6
85.02910	20.2
91.03924	0.6
95.04980	4.8
96.72569	0.4
97.02874	1.3
99.04465	0.4
109.02871	0.4
111.00781	1.0
111.04436	0.7
121.02875	2.1
123.04438	27.8
124.04802	0.4
127.03880	1.5
129.05501	4.2
137.01347	0.6
137.02345	8.7
145.20593	0.4
147.04390	1.3
147.06514	0.9
149.02327	0.6
153.01816	2.1
161.02405	0.5
163.03888	1.1
165.01823	1.3
165.05476	4.4
171.04431	0.6
183.02893	0.7
191.03499	0.4
195.02859	0.4
201.05489	1.0
205.01300	0.9
215.03433	0.4
217.01318	1.3
219.02905	0.5
225.05492	0.6
229.05020	2.9
239.03391	0.5
253.05069	0.9
257.04498	3.6
271.06046	1.1
274.04898	0.6
281.04532	0.9
285.04019	2.0
287.05457	3.8
299.05566	0.8
303.05005	86.3
304.05353	2.1
305.02924	0.8
315.04761	0.5
329.02911	4.3
329.06671	2.7
331.04498	2.4
333.07407	0.5
345.05994	0.7
347.04031	4.7
348.04178	0.4
355.04486	6.0
365.06567	0.8
373.05615	1.3
377.06662	0.4
379.08032	0.8
407.07620	20.9
408.08078	1.2
421.08932	0.5
447.08881	0.6
449.08731	11.2
465.10516	0.7
467.09766	100.0
468.10062	5.1
668.67523	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.7
61.02921	0.5
68.99775	0.4
69.03425	1.1
71.04997	7.9
71.56213	0.3
73.02907	0.5
75.04478	0.7
76.64420	0.3
81.03409	0.7
83.04984	0.3
85.02911	10.6
95.04976	4.0
97.02892	1.2
99.04479	0.5
107.02348	0.2
107.04955	1.1
109.02878	0.4
110.80647	0.2
111.04426	0.5
121.02868	0.9
123.04434	21.9
127.03986	0.5
129.05455	1.8
137.02335	2.0
139.03931	0.3
145.04973	0.3
147.04355	0.4
147.06467	0.4
149.02408	0.5
153.01840	5.7
165.01862	1.3
165.05489	9.0
165.06873	0.5
183.02934	0.6
187.03986	0.3
201.05486	0.7
225.05423	0.3
229.04958	2.0
247.06024	0.5
249.05556	0.2
253.04951	0.7
257.04407	1.4
267.06522	0.5
271.06104	0.3
273.03918	0.3
274.04779	0.3
281.04547	0.7
285.03992	1.5
287.05496	3.2
299.05673	0.4
303.05005	100.0
304.05316	3.0
313.03439	4.2
315.04980	0.6
327.04803	0.6
329.02921	0.8
329.06598	2.9
331.04446	0.3
355.04443	3.2
373.05548	1.9
407.07663	3.9
421.09207	0.9
449.08716	3.0
467.09793	12.1
468.09705	0.6
511.00012	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.5
57.03425	0.8
65.03933	0.7
67.01874	0.2
68.99796	0.5
69.03431	3.6
70.96886	0.3
71.05013	0.3
73.02917	1.7
79.05475	0.4
79.28231	0.2
81.02974	0.4
81.03418	5.0
85.02907	1.9
89.03923	0.7
89.56271	0.2
91.05481	7.1
95.04955	0.4
97.02886	1.9
99.00822	0.7
99.04433	0.9
107.04955	3.6
109.02885	3.8
111.00783	0.5
117.01869	0.2
117.03383	0.8
117.26650	0.2
119.04946	14.8
120.05734	0.5
121.02859	2.7
121.06463	0.5
123.04439	0.8
125.52775	0.2
127.03915	3.3
127.58360	0.2
129.06961	0.2
131.04980	0.2
133.02858	0.5
135.04411	3.1
137.02321	0.8
138.33084	0.2
141.06963	0.4
145.02861	0.7
145.04967	0.8
145.06462	0.4
147.04408	35.0
148.04755	0.5
153.01823	3.8
153.07004	0.7
155.08531	0.5
156.61153	0.2
157.06485	0.4
161.05995	0.2
163.02527	0.4
163.03911	7.7
165.01837	2.1
165.05492	1.0
165.06993	2.2
169.06458	0.2
171.04375	0.3
173.19867	0.2
179.08499	0.3
180.82372	0.2
181.04915	0.3
183.02888	0.9
183.08052	2.6
185.05998	0.5
189.07066	0.2
193.06317	0.4
197.06046	0.3
203.06949	0.2
207.08165	1.0
211.07559	1.8
213.05457	1.3
228.07855	0.4
229.08607	6.8
230.89609	0.2
231.06523	0.6
235.07504	1.2
241.04993	0.8
243.04900	1.8
244.05904	0.2
253.08615	0.8
257.85004	0.2
258.05219	1.2
259.06070	0.6
261.05872	0.2
263.07056	2.5
264.07443	0.2
269.04697	0.2
281.08081	3.5
287.05496	100.0
288.05814	2.6
291.08804	2.0
303.04974	1.3
309.06955	2.4
309.10223	0.7
327.08673	0.3
329.06467	1.3
353.06522	0.2
605.98120	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	5.1
55.05517	23.4
57.03439	16.4
57.03667	3.0
57.07063	3.6
60.69274	2.9
64.45890	2.7
67.05173	4.2
67.05511	69.4
69.07066	16.2
71.05364	6.7
75.86131	2.6
79.05500	47.2
81.03423	87.4
81.07064	66.9
83.04978	3.0
83.08624	17.4
85.06512	2.7
91.05490	35.1
93.07048	45.5
95.04990	27.0
95.08617	40.9
96.64945	3.0
97.02917	3.4
97.06509	6.8
97.10170	9.3
100.99784	3.0
105.07039	27.1
107.04917	6.8
107.08618	21.8
109.06554	4.5
109.10165	15.7
111.08079	7.8
117.07008	8.2
119.08585	20.6
121.06471	5.2
121.10149	18.7
123.07998	4.4
123.11673	7.9
125.09612	4.3
129.06996	12.6
131.08556	18.6
133.06551	3.5
133.10199	14.0
135.11679	14.0
143.08560	3.6
145.10107	10.0
147.11705	15.2
149.09639	6.3
149.13251	4.7
157.10158	10.2
159.11699	6.9
161.13202	4.4
163.11226	3.3
163.14828	3.6
170.99762	2.9
171.11659	3.5
173.13274	7.9
175.11191	7.3
180.68782	2.9
181.73531	2.9
187.14853	3.4
193.12245	18.8
195.70441	2.9
227.12772	5.9
228.41838	3.1
243.21014	3.8
261.22205	21.1
267.15955	100.0
301.25360	4.8
335.21997	5.5
335.25836	90.2
336.26321	4.4
403.62915	3.0
435.32672	4.9
453.33987	6.9
471.34586	4.7
510.58710	3.3
527.37341	59.3
528.37653	3.2
545.38489	43.4
569.37177	3.4
637.76862	3.4
659.71954	3.2
790.43018	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	773.4085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
55.05515	1.5
57.03438	2.1
61.02936	4.8
65.03939	0.5
67.05511	6.3
69.03433	2.8
69.07082	1.9
69.43504	1.0
69.43827	4.0
71.01373	0.6
71.04990	0.8
73.02917	2.6
79.05497	6.5
81.03425	3.1
81.07064	5.9
83.05000	1.7
83.08625	1.1
85.02908	5.6
90.52545	0.5
91.03966	2.9
91.05482	6.9
93.07063	5.6
95.04999	2.4
95.08640	3.6
97.02896	4.7
97.06570	0.8
97.62267	0.5
99.04485	1.2
101.02402	1.5
105.07038	6.0
107.04988	1.5
107.08634	2.5
109.02898	1.0
109.06537	1.7
109.10198	1.6
117.07034	0.8
119.08612	2.9
121.06519	0.7
121.10139	0.7
121.20898	0.6
123.08073	0.5
127.03933	0.9
128.03691	0.5
129.07068	0.8
131.08568	0.9
133.10127	3.2
133.82405	0.6
135.11707	0.7
143.08530	0.7
145.10204	1.0
147.11726	1.8
148.99361	0.7
151.11247	0.8
156.70895	0.5
161.09702	1.5
161.13287	0.8
163.11180	0.7
171.11705	1.8
175.11237	0.6
176.79910	0.7
185.04327	0.7
193.12276	1.3
203.05283	0.6
243.08289	2.7
247.13074	0.9
281.17374	0.8
299.14963	0.8
301.09048	0.9
303.51923	0.6
313.17914	0.8
315.10590	1.0
331.18961	1.9
451.19745	0.6
465.21008	12.1
465.27539	0.6
531.26074	1.2
537.23621	0.9
549.26855	3.3
619.30298	0.6
675.33539	3.3
704.33160	0.7
755.39850	13.2
756.40955	0.7
773.40857	100.0
774.40991	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	6.0
55.05514	29.6
57.03439	8.5
57.07073	7.3
61.02930	20.0
62.96595	4.4
67.05512	100.0
69.03426	9.1
69.07083	33.3
69.53512	4.9
69.54413	7.2
69.54807	33.6
73.02918	12.8
79.05499	79.2
81.07067	78.4
83.05008	6.1
83.08628	13.5
85.02906	14.7
85.06557	5.1
91.03957	9.0
91.05479	87.8
93.07053	86.8
95.04960	11.7
95.08620	65.1
97.06535	10.0
97.10165	10.1
98.20750	10.0
99.08103	8.0
105.07038	61.8
107.08607	47.1
109.10164	35.1
110.41375	4.3
111.08067	6.5
117.07043	31.4
119.08610	51.7
121.10157	34.6
123.11713	10.3
128.06314	5.5
129.07036	19.4
131.08586	44.4
133.10121	36.9
135.08119	5.8
135.11703	24.4
142.07867	5.5
143.08566	18.1
145.10138	37.8
147.11708	42.6
149.13289	12.9
155.08485	7.4
157.10129	17.2
159.11687	36.2
161.13246	26.7
163.11316	6.0
163.14828	8.6
167.08636	5.5
169.10147	15.2
171.11725	19.4
173.13264	22.1
175.14822	16.5
178.10368	4.2
181.10162	5.4
183.11691	11.7
185.13281	12.1
187.14830	9.9
192.17262	4.6
197.13292	8.0
199.14915	6.9
211.14807	6.8
213.16402	4.8
217.41377	4.5
239.18004	5.0
241.19603	27.4
245.15210	4.4
259.20624	57.2
261.22211	6.7
271.20578	6.4
287.31100	5.0
287.47299	4.9
303.23346	4.9
315.23267	6.4
317.41385	4.6
333.24323	37.5
335.25845	67.3
384.13992	4.9
485.71640	4.5
593.45129	12.8
611.46704	86.4
612.47382	9.2
701.47260	7.8
719.48602	7.0
755.50989	5.4
773.51312	16.3
783.98273	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	772.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	10.1
55.05512	25.8
57.03444	17.0
59.89359	2.0
61.02937	2.9
65.03947	4.2
66.91798	1.7
67.05169	4.2
67.05511	50.1
69.03448	9.6
69.07072	19.9
69.41239	2.0
71.01354	2.3
71.04991	7.9
79.05497	56.2
81.03421	25.8
81.07067	64.9
83.01336	9.6
83.04989	18.7
83.08623	20.1
85.02914	8.2
85.06579	4.7
91.05492	41.6
92.48318	1.8
93.07055	57.9
95.04961	15.6
95.08616	24.1
97.02905	4.7
97.06557	10.1
97.10166	4.8
98.21478	6.8
99.04465	3.2
99.08123	2.9
104.55809	1.9
105.07036	33.4
107.04963	13.9
107.08601	29.1
109.02930	3.9
109.06524	12.1
109.10147	11.9
110.07835	2.2
111.04441	3.5
111.08106	6.6
117.07023	12.6
119.08568	19.9
121.06491	6.9
121.10144	17.4
123.08074	10.2
123.11717	2.4
125.09648	4.3
127.03954	4.1
129.05511	3.4
129.07027	4.5
131.05009	2.3
131.08589	17.7
133.06522	4.7
133.10159	16.2
135.08076	5.0
135.11714	22.6
137.09634	3.1
138.34161	2.0
143.08569	4.5
145.10121	22.2
147.08061	4.0
147.11699	9.0
149.09656	9.0
149.13251	10.4
153.12744	2.9
155.08588	5.5
157.10100	4.0
159.11725	11.7
163.11198	26.5
169.10188	2.9
170.48706	2.1
171.11626	4.4
173.04477	3.1
173.09671	3.9
173.13242	2.6
175.11168	2.4
177.12773	2.9
179.14371	2.4
181.12209	3.2
183.11613	2.7
191.10690	3.1
193.12259	4.4
195.13844	5.4
209.11748	5.9
227.12849	7.2
245.50458	2.3
253.14346	5.5
255.16006	9.0
257.19122	7.1
267.15909	2.8
269.17468	35.5
273.18430	2.9
275.20056	17.2
283.15421	83.0
284.15970	2.4
285.16904	2.5
291.19592	4.8
307.18793	2.1
349.23691	12.5
365.23294	4.2
367.24908	6.3
463.26852	20.8
477.28546	100.0
477.35480	5.3
478.28625	4.3
487.98734	2.2
539.34003	2.7
551.79620	2.4
557.34711	24.3
575.35480	11.6
702.95105	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	772.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	17.8
55.05306	4.4
55.05517	50.8
57.03450	24.8
61.02927	5.1
65.03925	6.0
67.05508	70.5
69.03415	14.4
69.07072	43.2
69.60190	9.3
69.60588	23.2
71.04987	9.6
73.46307	4.4
77.96672	3.4
79.05063	5.4
79.05496	86.6
81.03421	47.0
81.07064	93.5
83.01345	8.3
83.04981	31.6
83.08620	32.3
85.02911	22.1
85.06553	4.2
89.01505	3.8
91.05488	65.2
93.07059	85.9
95.04977	31.1
95.08614	40.9
97.02900	12.9
97.06534	18.2
97.10185	21.4
99.04502	5.7
99.08123	6.0
105.07041	60.2
107.04971	26.7
107.08590	48.3
109.02865	4.5
109.06535	13.7
109.10162	17.6
111.04458	9.2
111.08092	9.2
115.05421	4.6
117.07023	24.6
119.08585	37.1
121.06483	12.0
121.10161	25.0
123.08077	16.0
125.09627	13.7
128.23526	3.6
129.07019	7.8
131.08556	30.7
133.10118	25.8
135.08061	8.8
135.11690	22.8
137.09604	4.9
143.08621	6.3
145.10117	35.3
147.08110	5.5
147.11679	14.9
149.09622	14.0
149.13245	11.4
159.11711	12.2
161.09549	4.5
163.11212	32.1
171.11700	5.6
173.09718	8.3
175.11168	8.0
189.11348	8.1
193.12265	17.3
195.13773	6.7
209.11607	6.9
211.13290	19.6
219.13789	5.1
223.13219	9.6
227.12802	25.7
255.15955	9.5
257.19092	7.8
267.15958	16.1
269.17523	21.3
273.18634	5.2
275.20099	35.4
283.15427	100.0
285.17068	23.1
291.19556	48.9
349.23755	30.5
365.23203	16.6
453.25226	5.1
459.27292	7.4
463.26782	17.9
477.28503	91.8
539.33551	7.1
557.34845	68.5
575.35809	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	772.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	7.0
55.05511	21.5
56.35736	3.6
56.74930	3.2
57.03432	3.4
65.45063	3.4
67.05503	35.7
69.03420	4.2
69.07055	10.5
69.88520	19.9
79.05502	32.5
81.03396	8.1
81.07066	47.3
83.04974	6.5
83.08616	15.5
85.02924	5.8
91.05467	27.7
93.07055	26.3
95.04974	17.4
95.08595	16.8
97.06536	6.9
97.10169	10.2
105.07046	25.9
107.04956	10.7
107.08604	19.0
109.06503	12.1
109.10169	16.5
111.04446	5.2
111.08115	3.2
113.09615	3.4
117.07002	7.5
119.08582	14.7
121.06496	9.6
121.10168	6.3
123.04465	3.7
123.11701	3.4
125.09608	5.2
129.07019	9.1
131.08574	12.7
133.06458	6.3
133.10114	17.5
135.08035	10.4
135.11697	8.3
143.08568	9.6
145.06483	10.3
145.10115	12.7
147.08107	6.9
147.11717	4.7
149.09573	4.9
151.11182	4.8
155.08585	4.6
157.10136	5.5
159.08130	4.9
159.11700	4.4
163.11197	6.8
171.08054	4.5
171.11696	6.2
175.11292	4.1
183.11646	3.9
187.11201	5.2
193.12263	4.4
197.13213	3.6
199.11209	3.7
201.12631	3.5
275.20074	9.0
287.59811	3.3
303.19543	3.6
315.19553	4.2
355.22522	4.8
367.22623	4.5
385.23724	18.6
431.28033	5.1
445.02707	3.6
447.27530	65.8
459.27411	40.7
460.27277	4.1
465.29797	11.1
469.29675	3.8
477.28445	19.2
483.30988	14.7
493.56494	3.9
501.32166	10.1
539.33643	24.7
557.34796	100.0
558.34692	5.1
575.36121	27.8
755.57776	4.0
768.30933	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	771.5011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	2.5
57.03439	2.3
61.02933	6.1
67.05515	6.3
69.03437	2.7
69.07074	2.6
73.02924	4.8
79.05507	3.9
81.03423	1.9
81.07056	6.5
83.08601	1.3
85.02895	6.4
91.03967	3.6
91.05464	2.1
93.07065	4.0
95.08606	5.5
97.02894	5.9
101.02364	1.0
105.07075	2.4
107.08590	1.1
109.10162	1.6
117.36401	0.9
119.08586	1.6
121.10133	1.5
127.03979	1.1
135.11774	1.1
284.52676	1.2
366.06424	0.9
493.27698	6.8
499.21591	1.1
519.29437	4.0
735.48224	1.1
771.50195	100.0
772.50244	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	771.5043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.3
55.05521	10.6
57.03442	5.2
57.07075	2.1
61.02931	14.3
61.62833	0.8
65.03942	1.0
67.05177	1.3
67.05513	22.1
69.03430	8.7
69.07081	10.0
69.24453	7.7
71.01360	1.0
71.04999	1.9
72.34736	0.7
73.02924	8.9
77.22151	0.8
79.05505	15.7
81.03419	3.2
81.07069	22.5
83.04977	2.3
83.08636	6.2
85.02912	11.4
85.06535	1.0
87.04454	1.0
91.03974	6.2
91.05487	14.8
92.05829	0.9
93.07063	16.5
93.72707	0.7
95.04968	2.3
95.08618	18.4
97.02905	12.4
97.06536	2.4
97.10173	2.6
98.20772	1.8
99.04463	1.4
101.02390	2.1
105.07043	12.3
107.08607	9.9
109.02877	1.3
109.06531	1.5
109.10177	7.6
113.09734	1.0
115.03937	1.4
115.05460	1.3
117.07040	8.0
119.08605	12.2
121.10168	7.7
123.11686	2.2
127.03902	1.8
128.06242	3.1
129.07001	10.3
131.08594	13.0
133.10161	8.0
135.11703	5.5
137.13271	1.2
141.06992	5.5
142.07784	1.7
143.08580	11.4
145.04982	1.4
145.10139	13.7
147.11717	5.0
149.13293	1.4
150.44675	1.0
153.06949	1.3
154.07727	1.3
155.08563	8.5
156.09383	3.0
157.10156	12.2
159.11690	7.7
161.13269	3.5
165.07019	1.1
167.08592	5.8
168.09351	1.9
169.10138	13.0
170.10933	1.5
171.11702	10.7
172.12323	0.9
173.13275	4.6
175.14818	2.1
179.08617	1.7
181.10092	5.6
183.11726	12.8
185.13293	6.8
187.14848	4.9
189.16394	1.0
193.10173	2.4
194.10855	1.0
195.11734	8.6
196.12314	0.8
197.13300	9.0
199.14851	5.9
201.16464	1.5
207.11601	2.8
209.13300	5.8
211.14836	7.4
213.16391	3.7
219.11729	1.9
221.13280	2.1
223.14920	5.8
225.16397	4.0
227.17979	2.4
231.11861	1.0
231.17227	1.0
235.14935	1.2
237.16371	3.4
239.17960	3.3
249.16359	2.0
251.18022	2.1
253.19763	1.3
283.20557	1.1
297.22061	0.9
305.12003	1.0
337.25372	0.9
351.26755	1.2
363.26608	1.2
365.28519	1.8
367.26071	1.0
369.27844	1.0
377.28427	1.1
398.44382	1.0
447.32602	0.9
517.40424	7.1
527.37274	1.6
535.41321	3.2
539.37512	1.5
591.44293	7.0
607.43951	1.4
609.45203	100.0
610.46021	6.4
621.44415	1.0
663.46265	1.0
702.41858	1.0
712.41321	0.9
753.48804	1.4
771.50800	20.7
772.49487	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	6.3
55.05519	21.4
57.03441	6.6
58.28955	1.6
59.37541	1.3
65.03947	2.6
67.05508	54.6
69.03438	3.0
69.07074	21.0
69.43199	4.5
69.43623	5.2
71.04984	2.5
73.06567	1.2
79.05499	70.1
81.03425	9.8
81.07060	90.3
83.04982	13.4
83.08626	17.0
85.02905	3.5
85.06528	3.1
91.05486	62.5
93.07048	56.0
94.67603	1.2
95.04971	17.8
95.08611	35.2
97.02918	1.5
97.06542	8.8
97.10163	5.4
99.08109	2.2
103.05479	2.2
105.04501	2.4
105.07036	45.4
107.04963	13.5
107.08595	25.0
109.06522	28.0
109.10152	9.7
111.08056	3.1
115.05456	1.8
117.07027	11.9
119.08585	32.9
121.06512	4.8
121.10168	14.0
123.08089	8.4
123.11719	6.7
125.09599	1.6
127.07579	1.8
128.06238	1.9
129.07002	15.4
131.08585	11.2
133.06487	3.6
133.10132	19.0
135.11700	4.4
137.09615	2.6
141.06989	2.0
143.08568	8.3
145.10126	15.1
147.08043	4.2
147.11688	35.7
149.02313	1.7
149.09653	7.2
149.13245	5.3
150.36362	1.2
151.11194	2.5
155.08609	2.4
157.10103	3.3
159.11684	5.7
161.09634	2.8
161.13277	8.7
163.11223	7.8
163.14801	1.8
163.67387	1.2
165.12759	4.1
167.08490	1.2
169.10095	3.1
171.11691	16.2
173.13226	3.2
175.11186	1.8
177.12695	1.5
179.14330	2.7
181.10225	1.4
187.11151	1.5
187.14786	1.6
189.12738	5.6
197.13338	1.7
207.13875	14.5
229.19511	1.4
239.17880	1.6
247.20680	2.8
255.15833	2.4
257.19077	4.1
275.17133	1.0
275.20078	45.7
281.17493	75.5
282.17703	1.8
293.21097	8.2
349.19754	1.6
349.23785	23.1
367.24789	14.2
429.29694	1.9
473.28860	2.1
537.35468	4.2
555.36823	100.0
556.37018	4.9
573.37921	55.7
574.37915	3.7
648.78925	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	5.4
55.05513	19.7
57.03436	10.6
65.03946	2.7
65.04845	1.3
67.05509	57.8
69.03413	4.3
69.07067	20.5
70.04910	3.7
71.04990	4.4
73.06561	1.7
79.05497	73.9
81.03430	11.3
81.07059	66.1
83.04991	14.9
83.08629	10.9
85.02908	4.7
85.06536	4.1
86.09711	1.3
91.05485	55.4
93.07048	72.0
95.04975	20.0
95.08042	2.4
95.08609	26.8
97.02910	2.7
97.06528	12.5
97.10184	3.0
99.08070	3.1
105.04561	2.5
105.07034	44.1
107.04959	7.1
107.08595	26.8
107.09296	2.2
109.02888	2.5
109.06525	8.0
109.10150	10.7
111.08099	3.4
115.05441	2.2
117.07026	15.7
119.08585	28.7
121.06532	3.3
121.10144	11.1
123.08086	7.0
125.09616	2.1
127.03917	4.7
127.07671	1.1
128.06247	3.3
129.06999	14.8
131.08560	10.3
133.06496	2.1
133.10147	18.5
135.08063	3.4
135.11668	10.9
137.09618	3.2
139.11212	1.4
143.08569	8.5
145.10143	15.2
147.08023	2.6
147.11707	29.1
149.09633	5.7
149.13269	5.5
151.11183	2.8
155.08597	1.4
157.10141	2.4
159.08083	1.3
159.11713	7.6
161.09642	4.2
161.13289	8.9
163.11223	4.1
165.09233	1.6
165.12692	1.7
171.11679	19.0
173.13289	2.9
177.12762	2.4
179.14424	1.3
189.12717	7.3
195.13762	2.4
207.13803	28.4
225.14911	1.7
225.67700	1.1
227.12889	2.0
247.20598	1.4
253.14386	7.1
255.15869	4.3
257.19006	4.3
269.17471	16.4
275.20087	14.1
281.17471	60.2
282.18097	1.2
283.15561	2.3
349.23801	9.5
351.17972	2.9
365.23584	1.7
367.24802	3.7
369.19122	2.7
413.21829	1.6
461.29056	20.2
475.30576	100.0
476.30695	3.5
555.36908	18.4
573.37146	3.6
619.34796	2.3
801.49756	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	8.3
55.05514	24.0
57.03439	12.2
57.07071	2.5
65.03945	3.8
67.05505	75.7
67.25661	1.3
69.03432	6.9
69.07072	29.0
71.04996	4.8
73.02905	1.4
73.06575	2.2
77.03928	2.3
79.05495	100.0
81.03425	16.8
81.07059	75.3
81.07431	1.1
81.07567	1.2
83.04988	14.7
83.08625	15.3
85.02901	4.1
85.06554	4.5
91.05485	83.2
93.07049	91.2
95.04969	28.0
95.08611	36.8
97.02911	3.2
97.06532	13.4
97.10170	6.0
99.08062	1.6
105.04537	2.6
105.07037	52.0
107.04951	14.4
107.08596	36.7
109.02889	5.4
109.06527	10.0
109.10164	11.2
111.08063	4.0
115.05484	2.5
117.07021	20.7
119.08585	32.2
121.06515	5.1
121.10161	15.2
123.08070	7.0
123.11680	2.3
124.82893	1.3
125.09626	4.3
127.03959	4.9
128.06223	3.1
129.07024	16.5
131.08580	15.5
133.06557	2.5
133.10143	22.6
135.08080	4.4
135.11671	12.2
137.09634	2.8
141.06911	2.3
142.07730	1.6
143.08551	11.9
145.06419	1.6
145.10132	19.4
147.08083	2.8
147.11691	38.7
149.09644	11.3
149.13269	5.1
149.62387	1.4
151.11220	1.7
155.08578	1.7
157.10141	1.8
157.40878	1.4
159.11742	10.0
161.09618	5.2
161.13268	13.0
163.11201	7.1
165.12737	1.3
169.10191	2.7
171.11693	25.2
173.04466	2.4
173.13301	5.4
175.11198	1.5
177.12784	2.0
179.14308	1.9
184.07358	2.7
185.13158	1.7
189.11266	2.0
189.12747	12.6
195.13835	3.1
207.13821	35.4
225.14804	2.5
227.12758	8.0
239.17920	3.9
247.20425	1.8
255.15979	6.2
257.19037	9.0
269.17484	12.2
275.20081	26.8
281.17484	73.6
282.18054	2.1
293.20914	1.7
331.22668	2.6
349.23816	22.6
351.17975	3.9
367.24811	3.0
377.23257	1.8
435.27475	3.0
451.26999	4.1
459.30817	2.5
461.28961	21.7
475.30563	82.6
476.30533	3.7
515.33881	3.6
527.37244	2.3
537.35620	1.9
555.36835	42.9
573.37744	4.4
619.34375	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	768.5619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01840	2.4
55.05518	40.1
57.03442	19.7
57.07076	13.1
58.06585	2.4
58.73493	2.5
61.02938	5.0
62.89733	2.2
65.03927	2.8
66.72443	2.4
67.05508	93.6
69.02309	2.3
69.07070	52.9
71.04985	2.9
71.08619	6.9
71.12265	4.9
79.05499	42.4
81.07058	90.8
83.08627	29.7
85.02905	5.3
85.06561	2.9
91.03947	2.8
91.05482	19.8
93.07050	52.7
95.04973	5.0
95.08614	71.8
97.06548	5.8
97.10180	13.4
99.08076	4.7
100.21886	2.3
105.07024	22.1
107.08601	33.8
109.10160	29.5
111.08080	5.6
111.11732	3.7
113.71861	2.5
117.07067	4.0
119.08575	15.2
121.10161	36.7
123.11709	10.6
131.08563	10.8
133.10123	12.3
135.11699	20.5
137.13257	5.9
145.10126	8.3
147.11670	7.4
149.13272	13.1
159.11687	5.7
161.13280	3.6
163.14821	6.6
163.57314	2.3
173.13303	5.6
215.17946	2.8
217.19617	2.8
233.22664	2.5
237.22098	3.5
243.21094	10.3
261.22156	33.4
309.24271	22.9
311.25809	100.0
312.25934	2.9
317.24643	6.6
335.25827	83.5
336.26270	3.6
337.27460	19.3
340.93604	2.5
360.41208	2.5
375.69452	2.5
402.31061	2.6
497.43948	3.2
520.62543	2.8
568.63177	2.8
571.47296	45.4
589.48132	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	769.4863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.4
57.03434	2.6
57.14709	1.2
59.42291	1.4
61.02924	4.7
66.92043	1.8
67.05497	5.4
69.03431	1.9
69.07059	1.6
71.02650	1.4
71.56451	1.6
71.56831	1.7
73.02914	3.2
79.05501	5.9
81.03455	2.7
81.07059	5.4
85.02909	5.0
91.03951	3.7
91.05477	2.0
93.07041	6.7
95.03307	1.6
95.08591	4.0
97.02899	4.6
101.02374	1.4
105.07028	3.1
107.08635	2.6
109.10169	2.3
120.16706	1.4
121.10143	1.7
121.20197	1.4
127.03947	1.7
131.08536	1.3
136.80183	1.8
184.07321	1.4
236.15186	1.7
237.62535	1.5
263.20645	1.3
276.87701	1.3
300.68542	1.4
313.82443	1.3
350.33102	2.1
491.26093	8.0
519.29669	4.5
769.48517	100.0
770.48779	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	768.4895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.8
55.05296	2.1
55.05514	22.1
57.03436	17.6
57.07070	7.7
61.02909	4.2
65.03958	3.5
65.26617	1.9
67.05172	2.8
67.05508	56.0
68.45239	1.7
69.03428	4.9
69.07085	12.5
69.45084	15.4
71.04982	5.7
71.08624	3.3
73.02892	2.4
79.05058	3.2
79.05499	50.1
81.03424	48.2
81.07063	44.8
83.04987	15.1
83.08624	23.1
85.02904	25.7
85.06544	7.0
85.10161	2.7
91.03928	2.0
91.05489	81.9
91.68635	1.7
93.07051	38.2
94.20704	1.9
95.04981	26.8
95.08615	27.9
97.02892	4.1
97.06526	6.9
97.10136	4.8
103.05460	2.3
105.07035	53.0
105.07744	2.8
106.66654	1.8
107.04942	5.3
107.08614	20.1
109.06522	5.4
109.10175	11.6
110.08249	1.9
111.04434	2.8
111.08099	10.7
113.06013	2.6
115.05479	3.2
117.07014	17.3
119.08602	44.9
121.06548	2.0
121.10149	20.6
123.08017	4.5
123.11681	5.7
125.09602	3.0
128.06158	1.8
129.05469	5.0
129.06995	19.1
130.87633	2.0
131.08571	31.2
133.06483	2.6
133.10139	30.9
135.08066	2.7
135.11696	6.1
137.09633	5.1
141.06978	2.3
142.07782	3.2
143.08591	9.5
145.10156	10.0
147.04395	5.4
147.07970	2.3
147.11710	18.2
149.09628	7.9
149.13170	2.2
157.10150	20.6
159.11659	3.4
161.13258	5.8
163.11160	4.2
165.12741	2.8
171.11684	9.9
173.13249	3.4
175.11195	16.5
175.14821	5.1
178.72934	1.8
183.11649	2.2
184.07492	2.6
185.13364	9.7
187.14824	3.7
189.16411	5.6
193.12260	44.9
199.14781	3.7
201.16458	2.2
203.17976	24.2
210.12625	1.9
211.13295	54.0
213.16295	2.4
227.17931	3.1
259.24210	2.5
267.15909	16.4
269.22681	21.4
285.16974	100.0
286.17242	3.5
287.23724	19.3
313.27325	3.4
313.68634	2.0
324.61395	2.1
361.27371	39.9
362.27518	3.1
553.38959	4.3
571.39978	51.8
572.40222	3.6
588.46637	2.3
607.89014	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	11.4
55.05263	1.6
55.05518	24.9
56.44916	1.4
57.03438	7.7
57.07088	2.4
61.33176	1.2
65.03942	4.4
67.05509	88.1
69.03433	5.6
69.07073	23.8
69.42903	3.3
69.43317	9.0
70.22987	1.3
71.04988	6.2
77.03909	2.2
79.05500	91.7
80.96879	1.3
81.03429	11.9
81.07065	83.0
83.04984	18.6
83.08639	10.0
85.02867	1.7
85.06550	8.2
91.05487	100.0
92.05794	1.2
93.07052	92.1
95.04985	28.1
95.08614	39.1
95.09228	1.4
97.02921	3.0
97.06535	7.2
97.10172	5.0
99.04459	3.2
103.05473	3.7
105.04516	2.4
105.07040	75.4
107.04957	15.7
107.08603	42.9
109.06524	12.9
109.10164	47.8
111.04430	2.4
111.08079	3.7
113.06017	3.3
115.05482	3.2
117.07036	12.4
119.08593	34.8
121.06537	12.1
121.10156	8.6
123.04485	1.7
123.08071	9.7
123.11727	6.3
125.05962	1.6
125.09603	2.7
127.07556	4.8
128.06242	4.0
129.07027	21.1
131.08595	15.4
133.06488	10.1
133.10153	61.7
135.08081	10.8
135.11690	6.0
137.09645	2.9
139.07573	1.6
141.07071	1.5
143.08565	12.8
145.10139	17.1
147.08087	7.8
147.11700	34.3
149.09625	8.3
151.11177	27.7
151.12341	2.2
153.09122	1.3
157.10158	4.3
159.08061	2.6
159.11668	6.3
161.09639	12.3
161.13246	12.1
163.11194	4.0
169.10095	1.7
169.12265	4.7
171.11710	23.4
173.09645	1.6
175.11182	3.9
177.09187	2.8
177.12776	1.8
179.10747	2.2
185.13193	3.3
189.12770	11.5
199.11378	1.6
207.13823	28.3
215.12831	2.0
222.08710	1.5
224.24290	1.3
225.14859	2.6
227.17987	3.6
237.16385	1.6
245.19031	6.3
251.12781	5.7
253.14371	89.9
254.14632	1.3
255.17465	3.9
263.20126	4.1
273.18515	35.6
281.17493	62.4
283.20456	1.7
291.19550	37.8
291.22882	1.9
292.19485	1.5
309.20590	2.8
347.22220	16.2
365.23248	27.9
403.24484	1.5
475.26953	4.2
477.28485	31.9
477.35376	1.5
491.30243	1.9
553.35266	15.9
571.36298	85.7
572.36548	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	768.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	11.8
55.05517	21.0
57.03422	7.7
62.69072	2.0
65.03934	4.5
67.05508	77.0
69.03429	4.4
69.07069	17.3
69.92595	4.9
69.93008	5.2
71.04981	6.9
73.06557	1.8
77.03921	2.4
79.05497	89.8
81.03425	12.4
81.07063	80.2
83.04986	17.7
83.08611	8.5
85.02903	2.4
85.06531	8.7
91.05484	91.9
92.05767	2.0
93.07052	80.5
95.04977	25.2
95.08620	39.3
97.06509	6.6
97.10158	5.4
99.04472	2.6
103.05437	3.4
105.07035	78.4
107.04973	14.4
107.08598	41.0
109.06520	16.0
109.10165	37.4
111.04449	2.8
111.08069	5.2
115.05436	2.4
117.07019	18.7
119.07775	2.8
119.08585	31.4
121.06505	10.6
121.10178	11.4
123.04425	2.3
123.08086	5.9
123.11703	5.9
125.09632	1.8
128.06232	5.3
129.07018	20.8
131.08578	16.1
133.06493	9.4
133.10130	59.5
135.08043	11.5
135.11671	5.2
137.09677	4.8
143.08562	13.0
145.06468	2.3
145.10120	16.6
147.08044	8.8
147.11676	28.9
149.09595	11.7
151.11189	24.3
155.08495	2.1
157.10194	4.3
159.08104	4.1
159.11722	4.5
161.09633	10.7
161.13275	9.8
163.11162	4.1
165.09184	2.4
169.12245	3.0
171.11690	23.1
175.11174	5.0
177.09132	2.6
184.07332	4.0
187.11174	2.0
189.12788	14.3
207.13823	26.2
215.12706	2.9
223.13197	1.8
225.14856	2.2
227.17899	2.9
245.18906	5.1
251.12822	7.0
253.14359	68.6
255.17435	5.0
263.20108	2.4
273.18518	39.4
281.17471	55.3
291.19540	44.4
301.21640	2.1
309.20618	4.4
329.21100	3.0
347.22189	17.2
365.23251	35.0
374.34937	2.8
378.54803	2.0
475.26901	5.5
477.28384	24.7
553.27466	2.4
553.35297	22.0
571.36304	100.0
572.36584	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	766.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	7.9
57.03436	3.0
57.88163	1.7
67.05502	22.3
67.05829	2.3
69.07073	6.7
73.61666	2.0
77.82371	1.9
79.05497	22.7
81.03430	3.2
81.07069	21.0
83.04993	4.1
83.08600	2.4
83.91341	1.8
84.08134	1.9
85.06522	2.0
91.05501	17.2
93.07051	22.9
95.04951	5.8
95.08607	12.7
97.06539	2.3
98.21532	4.1
105.07040	13.7
107.04971	2.1
107.08599	8.6
109.10180	5.9
112.02213	1.8
119.08596	7.3
121.10184	6.3
129.07011	4.8
130.08623	1.9
130.15941	2.9
131.08534	2.2
133.10133	5.3
135.11717	3.6
138.52832	1.7
145.10118	3.7
147.11699	8.8
159.11682	2.3
161.13261	2.3
171.11714	10.8
189.12704	3.0
207.13786	11.7
261.22168	5.5
281.17484	43.3
335.25854	48.0
381.51999	2.0
541.38928	100.0
542.39069	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	766.5464
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19729	1.1
55.01865	1.5
55.05261	2.2
55.05513	26.2
55.69207	1.1
57.03439	15.8
57.07081	9.3
61.02914	4.6
65.03945	3.1
67.05505	88.7
69.03400	1.7
69.06721	2.4
69.07071	32.4
69.26909	12.8
71.04984	2.5
71.08628	3.5
73.02906	1.8
79.05062	2.3
79.05498	42.3
81.07059	100.0
83.04958	3.6
83.08617	17.4
85.02902	3.4
85.06524	3.0
85.10180	2.0
88.65993	1.0
91.03919	1.7
91.05486	31.0
93.07046	48.8
95.04971	4.3
95.08611	67.6
97.02884	2.6
97.06527	4.7
97.10156	4.9
98.21455	2.3
99.08084	6.1
105.07032	21.1
107.08596	26.9
109.06487	2.8
109.10167	25.2
111.08073	3.5
111.11718	1.5
112.72930	1.3
113.09608	2.0
117.07024	5.3
119.08588	18.4
119.09375	2.2
121.10155	21.4
123.08045	1.7
123.11713	11.6
125.09607	1.4
127.11126	1.7
129.07014	1.9
131.08559	9.6
133.10146	16.7
135.11693	17.6
137.09584	3.7
137.13240	5.7
145.10123	7.3
147.11684	12.3
149.13274	9.7
151.11150	1.3
151.14809	3.6
153.12680	1.9
157.10097	2.2
159.11681	7.0
161.13254	8.6
163.14783	3.5
171.11635	1.4
173.13263	6.0
175.14833	4.1
177.16301	1.7
183.45674	1.4
185.13220	1.7
187.14885	1.5
189.16414	2.5
199.14937	1.5
215.17928	4.9
217.19533	7.0
229.19594	1.2
233.19002	3.4
235.20496	6.2
243.21069	5.1
259.20544	2.6
261.22110	12.9
265.34366	1.3
307.22739	1.6
309.24237	70.2
310.24377	1.8
311.25775	4.7
317.24765	3.0
333.24036	2.2
335.25800	70.0
336.26102	2.7
337.27502	3.4
363.29141	1.4
495.42041	2.8
525.62372	1.4
569.45648	29.2
587.46661	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	766.4738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	10.3
55.05520	14.8
57.03446	23.8
57.07066	4.8
65.03948	4.4
67.05170	4.4
67.05514	61.0
68.05862	2.8
69.03413	6.5
69.07082	13.1
69.29655	8.2
69.30081	20.4
71.04971	2.8
73.83281	2.6
79.05501	61.9
80.12090	2.5
80.90728	2.3
81.03426	25.9
81.07060	49.7
83.04970	6.5
83.08620	5.2
85.02428	4.4
85.02910	53.2
86.85349	2.9
91.04971	3.4
91.05495	52.3
93.04494	2.4
93.07050	51.2
94.43904	2.6
95.04987	12.6
95.08617	38.3
97.02926	3.8
97.06518	9.0
105.07049	52.1
107.04971	15.4
107.08613	24.7
109.06549	4.4
109.10184	13.0
115.05459	5.5
117.07039	22.3
119.08582	15.2
121.06499	8.3
121.10165	21.4
123.08075	7.8
123.11725	3.7
128.06242	5.7
129.07024	27.0
131.08575	19.7
132.01700	2.5
133.05609	3.4
133.06517	40.4
133.10138	18.6
135.08040	9.1
135.11674	9.8
137.05980	3.6
141.06987	5.7
143.08589	12.4
145.10167	8.6
147.08058	4.9
147.11707	5.2
149.09608	11.7
149.13345	2.8
151.07584	3.3
151.11206	2.7
155.08522	11.4
157.06525	3.9
157.10136	21.6
159.11812	5.1
161.13268	5.4
163.14882	3.1
165.07065	3.9
167.10619	3.4
169.10139	2.9
171.11699	27.5
173.09601	7.6
173.82135	2.6
179.04871	3.0
181.10112	9.7
184.07346	3.9
187.14639	3.1
189.12747	6.0
199.11255	25.4
211.04843	2.9
217.12218	23.9
235.13217	6.5
247.17639	2.8
261.22208	5.7
283.15512	6.9
291.15979	15.1
296.93436	2.7
299.23419	3.1
309.16986	44.5
335.25827	100.0
336.26315	4.5
361.27267	4.2
439.59500	2.7
551.37115	8.8
555.47559	2.6
569.30060	4.4
569.38385	66.9
650.35162	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	766.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	6.5
55.05264	1.1
55.05513	13.4
57.03180	1.2
57.03443	9.4
57.07080	4.1
59.04995	1.3
60.27332	0.6
61.02916	3.1
65.03947	1.5
67.05507	24.9
67.67707	0.6
69.03436	2.1
69.07071	8.2
71.01356	1.0
71.04987	2.5
71.08636	2.0
71.57618	0.9
73.02920	1.7
79.05499	28.8
81.03412	8.4
81.07062	27.2
82.37092	0.8
83.01345	5.7
83.04998	5.9
83.08623	9.9
83.37357	0.6
84.21584	0.7
85.02903	7.0
85.06543	2.2
85.10187	0.9
90.08446	0.8
91.03950	1.6
91.05484	36.8
93.07047	28.0
95.04984	6.3
95.08611	16.7
97.02930	3.6
97.06533	6.8
97.10148	2.2
99.04455	1.3
99.08102	1.5
103.05492	1.0
105.07037	26.7
107.04957	5.5
107.08601	14.1
109.06548	5.2
109.10173	5.5
110.64157	0.7
111.04471	1.3
111.08074	2.0
115.05484	1.3
117.07021	13.5
119.08587	25.7
121.06519	2.3
121.10149	12.4
123.08086	5.8
123.11683	1.7
125.09663	2.3
127.03953	0.8
128.06297	1.7
129.05516	3.8
129.07002	8.6
130.07745	1.8
131.08565	14.7
133.10138	15.0
135.08096	3.9
135.11691	10.5
137.09612	2.1
137.13225	1.3
143.08562	6.1
145.10124	15.2
147.08047	2.1
147.11688	6.4
149.09595	3.1
149.13249	1.3
153.12721	3.0
155.08508	1.6
157.10159	5.8
159.11688	3.7
161.09607	2.6
161.13313	4.5
163.11194	16.4
163.14864	0.8
169.10100	0.9
171.11690	7.1
173.09647	2.2
173.13272	2.2
175.09854	0.8
175.11253	2.4
175.14851	3.6
177.16354	2.1
181.12282	3.4
185.13211	6.4
187.14862	2.3
189.11200	0.9
189.12715	1.8
189.16374	5.7
190.26440	0.7
191.10683	1.9
191.17905	0.8
199.14745	3.8
201.16368	2.2
203.14406	1.1
203.17984	16.1
209.11728	7.8
213.16435	2.4
227.12814	5.5
227.17929	1.1
241.19478	1.4
243.21259	1.4
245.22562	2.1
259.20609	1.8
259.24219	2.6
269.22665	17.0
283.15408	100.0
284.15619	1.6
287.23709	22.2
288.24176	1.1
323.30664	0.7
342.77765	1.0
353.16061	1.4
361.27359	27.8
531.05701	0.9
551.36780	0.8
569.38214	11.0
658.18182	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.5309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.8
55.05515	24.2
57.03436	9.3
57.07073	7.9
58.06593	4.1
60.87188	1.8
65.03950	3.2
67.05509	99.0
69.03432	14.5
69.07070	22.0
71.01324	1.6
71.04981	5.2
71.08646	2.6
71.56715	1.5
71.57156	1.8
77.03883	1.9
79.05500	81.2
81.03429	12.1
81.07064	100.0
83.04969	6.3
83.08632	12.4
84.50824	1.6
85.02915	12.6
85.06547	9.3
87.04489	2.4
91.05490	54.8
91.14947	2.0
93.07053	93.4
95.04974	12.0
95.08615	75.2
95.09089	1.0
95.09240	2.2
97.02910	9.2
97.06535	8.3
97.10154	6.1
99.04443	5.9
99.08089	7.5
103.03938	2.4
105.04527	2.0
105.07034	44.2
107.04944	4.7
107.08601	53.8
109.02822	2.5
109.06516	4.9
109.09446	3.0
109.10165	40.4
111.04447	4.0
111.08089	4.4
113.09619	3.7
115.05446	2.7
117.07032	25.0
119.08589	37.8
121.06512	4.7
121.10152	53.5
123.08060	7.1
123.11707	23.7
125.09614	5.6
127.03973	3.4
128.06166	2.8
129.05482	3.0
129.06987	8.5
130.07776	2.5
131.08578	43.7
133.06500	2.8
133.10138	37.2
135.08031	3.4
135.11710	59.5
137.09601	5.1
137.13289	5.1
139.11186	3.9
143.08563	7.3
145.04993	3.2
145.06462	2.8
145.10124	40.4
147.11697	27.3
149.09607	5.1
149.13277	29.9
151.11124	4.2
155.08566	3.4
157.10141	9.2
159.08116	1.9
159.11713	32.4
161.09589	1.9
161.13286	11.8
163.11212	4.2
163.14822	4.6
164.39343	1.6
169.10114	3.2
171.11661	5.4
173.09743	1.8
173.13254	26.0
175.11118	2.1
175.14871	4.0
177.12730	5.0
177.16318	2.7
181.10083	1.9
183.11713	3.9
185.13251	5.7
187.14830	7.2
189.12880	2.1
189.16403	3.8
197.13304	3.9
199.14856	3.8
201.16360	2.3
205.19507	7.6
209.13219	2.0
211.14793	1.7
213.16409	1.8
215.17970	61.8
216.18214	1.8
233.19019	59.0
235.13116	2.5
236.15024	3.6
241.19458	2.2
243.21112	4.1
251.20064	3.3
259.20618	5.3
261.22177	22.0
273.21957	2.3
277.14359	2.6
277.21729	3.9
289.21591	3.2
291.23370	1.8
301.21490	2.8
303.23129	7.0
307.22711	17.8
315.23126	3.8
325.23953	12.1
335.25937	3.4
351.23264	4.7
369.24274	13.9
387.25208	7.2
399.75961	1.9
405.26511	10.5
423.27466	3.6
764.56104	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	764.5311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.5
55.05262	1.7
55.05516	28.8
57.03184	1.3
57.03442	19.0
57.07076	4.8
58.06587	1.5
61.02931	5.5
65.03947	5.6
67.05511	100.0
69.03419	2.2
69.07077	22.0
69.27540	9.7
71.04985	4.3
71.08638	1.6
73.02902	1.5
79.05502	86.0
80.05814	1.4
81.03410	1.7
81.07064	92.5
83.04974	4.0
83.08627	14.1
85.02918	5.6
85.06528	3.9
87.48680	1.1
91.03934	2.0
91.05489	50.0
93.07054	89.4
95.04976	9.4
95.08618	70.2
96.08949	1.3
97.02895	3.2
97.06529	4.8
97.10161	6.0
98.21516	2.1
99.08094	4.0
103.22463	1.0
103.51784	1.1
105.04497	1.8
105.06382	2.1
105.07047	36.5
107.08606	41.0
109.06516	3.2
109.10165	32.9
111.08086	3.4
117.07053	13.8
119.08586	25.5
121.10157	42.2
123.08068	1.4
123.11723	14.9
125.09660	2.8
129.06996	4.5
131.08591	23.3
133.10149	28.9
134.10530	1.1
135.08110	1.4
135.11703	31.0
137.09573	2.0
137.13248	3.3
139.11198	2.0
143.08557	2.8
145.10136	17.6
147.10640	1.7
147.11703	19.3
149.09656	1.9
149.13278	16.7
151.07475	1.1
151.11153	1.4
155.08522	1.6
157.10149	4.6
159.11716	16.2
161.13293	9.1
163.11176	1.4
163.14853	4.8
165.12726	1.7
169.10118	2.0
171.11708	6.2
173.13257	13.7
175.14838	4.1
177.12814	1.6
177.16402	2.2
183.11668	1.7
185.13290	3.0
187.14803	7.3
189.16396	3.4
199.14886	1.8
201.16441	2.9
203.18022	2.3
205.19563	1.2
213.16441	7.2
215.17975	19.1
217.19464	2.1
231.17503	5.9
233.18994	13.7
235.20602	1.5
236.14919	2.5
241.19614	2.7
243.21153	4.2
259.20590	5.5
261.22180	14.2
262.22522	1.1
299.23730	1.4
305.21021	3.2
307.22699	77.8
308.23212	2.2
309.24265	9.5
317.24734	3.5
333.24203	5.4
335.25833	83.2
336.26288	1.8
337.27576	5.2
364.36151	1.4
493.40491	2.1
567.44159	19.7
568.44135	2.3
585.45276	12.7
735.27747	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	6.7
55.05523	13.8
57.03453	10.4
57.07084	2.6
61.02929	4.1
65.03951	2.3
67.05510	27.6
69.03421	3.7
69.07072	8.4
71.05000	4.5
71.10666	1.7
71.15388	1.9
71.15730	3.0
75.78345	2.3
79.05501	33.4
81.03401	6.7
81.07065	30.6
83.01350	5.3
83.04977	7.9
83.08623	10.0
85.02901	7.8
85.06535	4.0
87.36641	1.8
91.05487	45.0
93.07064	35.7
95.04964	5.9
95.08614	17.8
97.02924	4.6
97.06551	6.4
97.10163	2.1
99.04449	3.6
105.07039	18.1
107.04977	4.0
107.08614	17.2
109.06541	3.9
109.10140	8.0
111.04406	2.9
111.08099	4.0
115.05492	3.5
117.07018	23.6
119.08604	22.1
121.06554	2.6
121.10152	11.4
123.08057	4.2
123.95405	1.8
129.07027	13.7
131.08594	27.8
131.40355	1.9
133.10153	14.3
135.08078	2.5
135.11719	11.4
141.07004	3.4
143.08582	9.1
143.85191	1.9
145.10138	23.6
147.08063	2.0
147.11664	6.1
149.09624	2.8
149.13266	2.5
155.08559	5.6
157.10147	8.7
159.11693	7.8
161.13315	3.3
163.11203	17.1
169.10088	3.7
171.11671	5.7
173.13274	8.2
175.14836	5.4
176.45215	2.0
181.12195	3.8
183.11635	6.3
185.13257	8.1
187.14879	9.0
189.16301	2.1
191.10674	3.1
197.13359	3.0
199.14835	2.9
201.16394	21.2
202.43388	1.9
209.11708	6.6
211.14825	4.2
215.14319	3.0
224.15498	2.3
225.16331	3.3
227.12764	4.8
239.17780	2.2
253.24696	2.3
267.21106	20.0
283.15433	100.0
284.97467	2.3
285.22128	20.7
359.25845	26.7
567.36481	9.9
585.38275	2.1
764.40570	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	764.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	2.8
55.05518	17.9
57.03432	8.2
63.89489	2.8
65.03931	3.8
67.05176	3.7
67.05511	65.1
69.07073	16.5
69.30145	22.2
71.83192	2.8
79.05499	76.0
81.03406	8.6
81.07063	54.0
83.05003	14.4
83.08602	5.7
85.06535	5.9
91.05486	97.4
93.07040	59.9
95.04985	16.6
95.08614	33.1
97.06530	7.6
97.10130	3.3
105.07035	59.0
105.07650	2.2
107.04932	6.8
107.08616	20.7
109.06528	5.9
109.10156	6.3
111.08060	3.3
117.07045	17.3
119.07787	4.0
119.08582	45.8
121.10184	14.1
123.08066	4.5
129.07001	20.2
131.08542	18.8
133.10153	27.2
135.08061	3.3
135.11629	7.5
143.08586	12.5
145.10196	14.1
147.11703	29.1
149.09584	2.8
157.10121	9.5
159.11696	4.8
161.09709	4.0
161.13246	13.9
169.10135	3.3
171.11707	26.7
173.13240	3.0
175.14844	3.4
185.13251	6.2
187.14838	3.0
189.12703	3.5
189.16367	6.9
199.14832	2.9
203.14041	2.6
203.17953	15.3
207.13821	13.7
269.22726	16.9
281.17477	83.5
287.23676	14.5
349.97754	2.8
361.27411	35.6
567.40375	100.0
568.40448	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	759.4291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.5
55.01878	0.9
55.05505	2.7
57.01984	0.6
57.03432	2.6
61.02937	4.3
67.05508	8.1
69.03431	3.2
69.07071	2.3
71.05004	1.2
71.57054	0.7
73.02921	3.0
76.27515	0.5
79.05499	9.3
80.05820	1.0
81.03437	2.6
81.07063	6.8
83.04997	1.2
83.08634	1.3
85.02934	4.1
88.06825	0.6
91.03970	2.5
91.05478	7.3
93.07049	9.7
95.04982	1.9
95.08614	4.9
97.02903	4.4
97.06537	0.9
99.04460	1.0
101.02399	1.6
105.07026	5.8
107.08609	4.1
109.02917	1.0
109.06506	1.0
109.10172	1.5
111.08083	0.8
113.10589	0.6
117.07012	1.6
119.08566	4.1
121.10181	3.2
127.03886	1.4
129.07028	1.8
131.08583	1.5
133.10120	2.9
135.11710	2.1
143.08577	1.2
145.10167	1.3
147.08070	0.9
147.11749	2.8
149.13281	0.7
151.11243	0.7
157.10170	0.7
159.11748	1.0
171.11745	2.4
177.35974	0.6
185.04187	0.8
229.20575	0.6
233.63159	0.6
236.62029	0.6
243.08505	2.8
247.13133	1.7
283.15189	0.9
301.09076	1.1
315.10577	0.9
335.25839	1.3
461.81613	0.6
465.20969	8.3
466.21359	1.0
476.98547	0.8
535.28827	5.2
537.23413	0.9
544.37628	1.3
545.38013	1.1
759.42926	100.0
760.43292	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	761.3874
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59484	2.8
57.20934	2.5
67.05510	5.0
71.08666	2.4
71.57699	3.3
73.46823	2.6
75.74660	2.3
79.05492	4.5
81.07063	5.9
90.88742	2.3
91.05473	3.4
93.07057	3.5
95.08641	3.7
126.56210	2.7
131.08669	2.8
132.02396	3.0
142.78163	2.8
179.31958	2.8
237.90143	2.5
257.59674	2.9
276.76312	3.6
292.05670	2.5
429.74109	3.1
761.38721	100.0
762.38257	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.5
57.03471	1.7
57.07064	3.1
63.41798	1.6
66.83053	1.7
67.05502	6.8
69.07071	1.9
71.07620	3.2
72.74341	1.8
74.41085	1.8
75.27576	1.5
78.41013	1.6
79.05492	3.0
80.56070	1.9
81.07069	4.0
93.07056	4.8
95.08622	4.7
103.24626	1.9
105.07037	3.5
119.08629	2.3
121.10129	2.2
131.08578	3.0
135.35133	2.0
232.63673	1.7
245.57796	1.8
258.85934	2.3
268.75906	1.7
283.15466	1.7
546.38776	2.3
761.38678	100.0
762.38843	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	759.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.5
53.25174	0.3
56.80206	0.4
58.34067	0.3
65.03944	1.8
69.03449	1.7
70.46914	1.0
70.72655	0.3
72.83629	0.4
81.03418	2.5
85.02920	1.6
91.05491	11.4
97.02922	0.8
98.61436	0.3
99.04460	0.5
104.40599	0.4
107.04968	0.6
109.02889	1.2
111.00816	0.6
119.04955	26.4
120.05247	0.4
120.30566	0.3
120.60658	0.3
121.02869	2.6
124.42487	0.3
127.03928	0.8
130.53665	0.3
133.02852	0.6
137.02341	0.7
147.04425	100.0
148.04771	1.1
152.03886	0.3
153.01842	4.1
165.01872	1.9
165.05522	1.7
183.02878	0.6
213.05554	0.8
231.06433	0.4
241.04955	0.5
258.05301	0.9
259.06134	0.4
269.04532	0.6
287.05524	99.9
288.05878	2.2
291.08655	4.0
309.09763	2.8
329.06607	0.9
410.94083	0.4
546.57281	0.4
587.56323	0.4
593.21350	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.01866	0.4
57.03451	2.6
58.43754	0.3
61.02906	0.6
61.70058	0.2
65.03944	0.4
68.99797	0.4
69.03439	1.5
71.05002	13.0
73.02908	0.6
75.04469	0.7
78.28671	0.2
81.03400	0.7
83.04954	0.7
85.02914	16.5
87.04441	0.6
87.33399	0.3
91.03983	0.3
95.04984	1.3
97.02896	1.5
99.04430	0.3
107.04940	0.4
109.02881	0.4
109.76624	0.3
110.41989	0.2
111.00768	0.3
111.04405	0.7
121.02879	8.4
123.03579	0.4
123.04436	7.6
127.03923	0.6
129.05499	2.9
133.02863	0.5
137.02409	0.3
145.02881	0.3
145.04977	0.5
145.06517	0.3
147.04420	1.7
147.06502	0.6
153.01820	1.8
164.07068	0.6
165.01840	0.7
165.05444	1.0
165.06712	0.3
171.04367	0.4
173.05951	0.3
183.02876	0.5
187.03943	0.7
203.08278	0.3
213.05505	0.8
215.03380	0.6
217.01357	0.5
219.02982	0.4
231.06549	0.4
239.03383	0.7
241.04907	0.8
243.02950	0.4
253.05008	1.2
257.04504	1.3
258.05219	0.8
269.04434	1.2
271.06021	0.8
283.05823	0.4
287.05527	69.1
288.05869	1.9
289.03519	0.8
303.04965	0.6
305.11209	0.4
311.05673	0.3
313.03427	4.2
313.07098	2.6
317.08078	0.3
329.06470	0.4
331.04483	8.9
339.05136	2.8
345.07565	0.4
349.07086	1.1
357.06168	0.5
361.07190	0.4
363.08771	0.6
391.08157	27.1
392.08453	1.6
405.09729	0.9
426.20132	0.3
431.10034	0.5
433.09235	16.4
434.09399	0.4
449.10632	0.3
451.10291	100.0
452.10538	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	759.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.1
55.01855	0.9
55.05505	2.2
59.99216	0.6
64.64545	0.7
67.01849	1.4
67.05484	1.7
67.21802	0.6
69.03425	3.0
69.07063	1.9
71.57020	0.9
73.02906	0.8
79.05499	1.5
81.03420	2.8
81.07054	4.7
83.08607	0.9
85.02917	6.7
87.00833	2.3
91.05486	2.3
93.07055	6.4
95.08601	3.1
97.02888	2.8
97.06550	1.2
97.10161	3.3
99.04462	1.5
99.08107	0.8
105.01858	1.0
105.07015	1.7
107.08559	1.6
107.53360	0.7
107.55987	0.7
109.02882	2.5
109.10153	2.4
111.08125	1.3
119.08597	1.2
121.06503	1.4
121.10143	2.1
123.08054	0.8
125.09628	0.7
127.03947	4.3
128.06305	0.7
131.08630	0.9
133.10143	1.2
135.11658	1.5
136.05264	0.7
139.07553	3.4
143.10626	1.8
145.04959	1.0
147.04523	1.0
149.05994	4.4
151.07582	1.3
159.02939	1.6
161.09673	2.3
167.07047	100.0
168.07370	1.9
171.08116	0.8
171.10197	0.8
174.02344	0.9
189.09125	6.7
189.11090	1.1
205.08534	1.0
207.08203	1.4
207.10176	25.7
231.04893	0.8
235.11922	0.7
235.16940	2.3
247.36552	0.8
253.18036	2.9
271.18906	1.2
283.05981	0.7
309.24170	1.4
314.90161	0.8
319.18991	3.9
392.83817	0.8
405.45636	0.8
415.12216	1.7
457.29401	2.7
475.30536	9.6
493.31631	11.1
503.85788	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96573	6.4
60.88897	0.6
68.96552	0.7
69.48746	3.1
69.49161	1.8
71.95249	0.9
78.72755	0.6
84.96045	5.0
98.20753	1.4
98.21396	1.8
98.97591	60.8
110.97582	26.1
112.99115	1.2
116.98634	20.8
124.99115	1.8
128.98624	20.7
131.00166	1.4
134.99678	4.0
135.38382	0.6
140.98582	7.6
143.00180	13.4
144.98082	0.8
146.99669	10.3
149.01120	0.6
152.98578	4.4
155.00182	0.6
158.99669	25.3
161.01263	7.6
165.00728	0.8
170.99669	41.8
173.01262	1.1
177.00726	15.9
179.02254	0.8
182.99672	21.4
189.00723	32.9
190.85527	0.7
192.63657	0.7
194.99628	1.4
195.01604	0.9
201.00729	56.6
202.00998	1.2
203.02412	1.0
206.99860	0.8
207.01752	2.8
212.02325	0.8
213.00693	5.3
215.02274	0.8
217.22801	0.6
219.01790	48.6
225.00580	0.7
231.01840	5.1
236.98659	0.8
237.02859	19.4
242.03253	0.8
243.01801	24.8
254.99507	2.8
255.03937	1.3
261.02841	100.0
262.03275	1.3
263.40167	0.7
273.00418	2.3
273.02863	7.3
279.03915	45.3
291.03894	15.4
297.04974	1.1
302.05457	1.8
303.03833	1.7
309.04791	1.5
321.04944	34.0
322.05157	1.1
333.04950	4.6
351.06082	9.0
363.06100	2.0
381.07047	16.9
399.08102	14.4
417.04749	82.3
418.05127	2.2
423.08148	0.8
435.05737	8.3
441.09207	84.8
442.09595	2.7
453.09412	2.2
471.10226	2.6
501.11230	6.7
503.13254	0.7
543.12463	2.7
561.13495	0.9
723.18726	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	758.5049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.3
55.05515	16.4
57.03442	8.3
57.07070	3.1
59.05006	1.6
61.02925	4.2
65.03944	3.2
66.95477	1.3
67.05511	75.4
69.03453	1.5
69.07067	13.2
71.05001	21.0
73.84231	1.3
79.05059	2.5
79.05501	40.8
81.03398	1.5
81.07065	100.0
83.04987	5.6
83.08622	8.1
85.02895	2.6
85.06553	8.5
91.03955	1.8
91.05483	33.0
93.07055	41.7
95.04958	4.0
95.08616	35.8
96.67357	1.3
97.02925	1.8
97.06531	5.7
99.08121	1.6
105.07042	16.7
107.08611	19.3
109.06506	2.4
109.10167	14.9
111.08068	1.6
117.06995	6.7
119.08606	9.0
121.10143	15.6
123.11721	13.9
125.09525	1.3
129.06998	1.9
131.08577	9.4
133.10141	16.5
135.11728	9.9
145.10130	3.6
147.11612	1.5
149.09782	1.4
149.13249	7.1
151.11232	5.2
159.11684	6.7
161.13339	1.8
173.13263	2.0
177.12753	2.0
183.13776	1.9
184.07368	4.4
184.33971	1.4
187.13272	2.7
187.14844	1.6
188.63058	1.4
190.78857	1.3
227.16228	1.9
229.09572	2.0
257.17435	1.8
261.22159	4.4
269.17511	5.5
269.71472	1.4
301.20197	14.3
335.25818	32.2
503.37366	89.7
504.37439	5.1
517.38715	2.8
529.38971	11.1
537.33685	1.4
561.41522	87.7
562.42017	5.9
759.40076	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	758.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.1
55.01874	7.5
55.05518	25.1
57.03445	15.1
57.07077	5.6
57.94060	2.2
58.06038	2.4
61.02932	5.9
65.03942	5.4
67.05511	97.1
69.03429	4.2
69.07070	23.9
69.30235	14.6
69.30652	5.6
70.32176	2.2
71.04997	4.4
73.03542	2.2
78.01748	2.1
79.05498	74.2
81.03412	11.3
81.07063	84.2
83.04990	19.5
83.08624	14.7
85.02901	7.8
85.06538	4.2
86.09661	2.7
91.03964	2.9
91.05484	55.0
93.07056	76.6
94.70164	2.0
95.04970	22.8
95.08617	58.7
97.02867	13.2
97.06555	11.7
97.10186	5.7
99.08164	3.4
100.52937	2.2
101.37523	2.3
105.07043	34.2
107.04987	13.7
107.08605	41.4
109.06556	7.5
109.10167	34.8
111.04462	13.4
111.08107	4.3
115.35115	2.5
117.07024	23.9
119.08595	29.9
121.06503	5.9
121.10150	32.3
123.04494	3.9
123.08056	6.6
123.11697	5.9
124.05125	2.3
125.06004	3.3
125.09615	3.0
129.07016	9.8
131.08589	22.3
133.06514	2.7
133.10126	28.4
135.08090	9.1
135.11711	32.3
137.09616	6.0
143.08578	8.0
145.06485	5.2
145.10115	30.0
147.08057	5.4
147.11690	15.6
149.09671	8.8
149.13272	8.0
151.11224	4.4
154.03159	2.7
155.08565	8.3
157.10159	6.7
159.11761	11.2
161.09627	3.1
161.13274	11.1
163.11176	17.7
169.10117	4.2
171.11734	6.2
173.09631	10.2
173.11882	2.6
173.13280	6.9
177.12665	2.3
181.12419	2.4
183.11755	3.4
184.07387	8.2
185.13301	5.1
189.11264	2.6
189.12785	2.5
191.10722	8.9
195.11711	3.1
209.11697	24.2
213.12787	2.7
222.14761	2.4
227.12842	7.3
227.16267	2.3
243.15971	2.9
243.21071	5.7
249.32098	2.5
253.14380	5.9
255.15912	2.3
259.20499	4.0
261.22189	12.6
273.22272	3.2
283.15442	95.0
284.15707	2.7
285.16876	2.9
301.16351	3.3
301.21689	3.0
315.23288	6.4
317.20990	3.6
335.25833	73.2
373.23700	3.5
389.27005	3.2
433.30963	10.2
437.47760	2.9
451.32019	22.3
469.33148	13.2
525.35968	19.2
543.36859	100.0
544.37207	4.2
561.37976	24.0
596.40338	2.6
759.42371	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	758.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.6
55.01867	6.5
55.05512	30.6
57.03442	20.3
57.07069	3.0
61.02906	5.1
65.03934	4.6
67.05508	97.1
68.05811	2.9
69.03425	5.1
69.07066	22.6
70.75076	3.8
70.75432	5.5
71.01349	2.5
71.04990	5.4
73.02912	2.6
79.05067	4.8
79.05498	72.7
81.03429	15.0
81.07066	82.5
83.04986	21.0
83.08620	20.7
85.02895	10.4
85.06550	3.5
91.03936	4.9
91.05477	50.8
93.07050	80.6
95.04991	19.4
95.08051	4.1
95.08616	59.3
97.02924	11.3
97.06521	9.6
97.10194	5.0
99.04440	4.2
105.07043	29.3
107.04972	15.7
107.08601	41.7
109.02897	5.0
109.06485	5.7
109.10156	32.3
111.04444	16.6
111.08057	8.1
117.07041	20.3
119.08582	26.3
121.06519	7.5
121.10153	35.2
123.08041	6.7
123.11691	9.7
124.99995	2.5
129.07024	6.8
130.07771	3.4
131.08585	26.5
133.10129	20.3
135.08041	5.7
135.11690	30.6
137.09601	5.0
137.13292	3.1
143.08582	6.0
145.10138	34.1
147.08098	3.0
147.11696	10.3
149.09610	7.2
149.13251	10.0
151.11176	3.9
153.12703	4.9
155.08568	5.9
157.10088	3.4
159.11693	8.8
161.09625	3.5
161.13268	7.6
163.11192	23.6
163.14780	4.3
173.09653	11.7
173.13245	6.3
181.12206	4.9
184.07285	4.4
185.13354	3.9
187.14801	3.9
191.10654	7.4
197.13304	3.1
201.16360	2.9
209.11748	32.2
220.54533	2.7
227.12794	12.3
229.14377	3.6
243.21140	5.1
253.14392	3.4
259.20602	4.2
261.22229	16.9
273.22162	5.3
283.15402	89.1
301.16571	21.8
315.23376	4.3
333.24231	3.6
335.25815	100.0
336.26175	3.0
433.30841	8.8
451.32077	10.1
469.32999	11.0
487.34250	2.8
515.37183	2.9
524.67438	3.2
525.36072	14.7
543.36829	91.5
544.36993	5.6
561.37952	28.6
599.07159	2.7
668.82379	2.8
758.42242	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	758.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.9
55.01869	10.0
55.05520	31.9
57.03433	23.5
57.07072	6.8
61.02916	7.9
65.03943	6.0
67.05505	100.0
69.03429	4.5
69.07075	20.8
69.65025	16.1
69.65432	7.5
71.04993	6.3
79.05496	72.2
81.03413	13.5
81.07059	75.3
83.04976	15.6
83.08633	19.9
85.02891	8.3
85.06539	4.6
86.09679	3.8
91.05466	47.8
93.07050	69.9
95.04964	20.6
95.08611	61.5
97.02894	9.4
97.06547	12.0
97.10167	10.5
98.07403	3.8
99.04408	3.7
105.07029	38.7
107.04962	8.0
107.08597	39.7
109.06509	6.6
109.10165	32.2
111.04440	6.4
111.08078	8.2
116.04726	7.7
117.06989	17.0
119.08604	29.8
121.06525	3.5
121.10152	30.2
123.11708	6.2
125.09636	10.2
129.05508	19.0
129.06990	12.0
131.08566	29.1
133.10149	26.4
135.08047	7.9
135.11699	29.8
143.08577	5.5
145.10110	27.5
147.08023	7.2
147.11694	16.5
149.09676	5.4
149.13249	10.3
151.11259	4.9
157.08681	7.8
157.10069	6.3
159.11740	10.2
161.13249	8.1
163.11206	12.2
163.77536	3.7
169.10118	4.9
173.09587	4.7
173.13272	7.7
184.07368	7.8
185.13217	4.5
185.85472	3.7
187.14793	4.2
189.11192	6.8
191.10709	6.0
193.12253	5.6
209.11668	17.7
211.13199	4.2
227.12807	11.3
229.14340	5.5
243.21130	4.3
253.14246	4.2
261.22165	8.5
267.15894	5.1
278.09424	4.1
283.15363	46.5
301.16467	33.8
333.24210	4.9
335.25769	82.2
339.22894	4.0
350.24390	3.5
451.31897	7.3
469.33200	8.0
525.35437	14.5
543.36798	53.0
561.37823	54.9
758.41028	4.2
774.61554	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	757.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.4
55.01874	0.6
55.05513	2.2
57.03444	1.5
58.15198	0.5
61.02937	3.6
64.03899	0.5
67.05511	5.7
68.17705	0.6
69.03439	2.9
69.07090	3.6
69.52519	3.8
71.28257	0.5
73.02936	2.5
74.30662	0.5
79.05500	8.5
80.05788	0.5
81.03420	3.8
81.07078	6.3
83.04980	1.1
83.08624	1.2
85.02914	3.3
91.03982	2.1
91.05479	6.9
93.07065	6.0
95.04977	2.2
95.08632	4.1
97.02905	3.3
97.06547	1.3
97.10197	0.7
99.04453	1.2
100.32915	0.6
101.02422	1.7
105.07039	5.3
107.04953	1.5
107.08606	2.5
109.02871	0.6
109.10176	1.1
111.08144	0.7
117.06999	1.3
119.08595	3.2
121.10154	1.8
127.03931	1.4
129.07050	0.9
131.08595	1.7
132.88995	0.6
133.09271	0.8
133.10107	3.2
135.11731	1.1
143.08614	0.8
145.10188	1.6
147.11765	1.7
149.09650	0.8
155.08499	0.6
161.13297	0.7
163.11230	0.8
171.11790	0.9
184.07474	0.8
227.12802	0.9
243.08424	2.7
315.19278	3.3
371.21948	1.1
465.21057	8.6
512.14514	0.6
533.27332	6.1
757.41388	100.0
758.41681	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	758.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.6
55.01875	0.7
55.05513	0.6
57.03418	0.4
57.25788	0.3
58.40982	0.3
67.01867	1.2
69.03448	1.7
69.07053	0.4
69.58836	0.4
71.23721	0.9
79.05479	0.9
81.03411	1.8
81.07059	0.4
83.04945	0.4
83.08604	0.5
85.02497	0.4
85.02915	4.4
87.00823	1.2
91.05494	1.3
93.07047	4.4
97.02908	1.1
97.10168	1.3
99.04443	0.8
105.01895	0.5
105.07003	0.5
109.02882	1.5
109.10188	0.7
111.08080	0.5
121.06476	1.1
127.03905	2.4
137.05945	0.4
139.07582	2.3
143.10745	0.4
145.04939	0.5
149.06004	3.0
151.07565	0.8
159.02924	0.6
167.07053	100.0
168.07365	1.6
177.62915	0.3
196.66624	0.3
321.24258	1.0
457.29404	1.1
475.30582	1.1
493.31549	1.6
521.64813	0.4
553.28217	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2184
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
53.03936	0.3
55.01857	0.3
57.03442	1.3
61.02914	0.3
61.04302	0.1
68.99801	0.4
69.03427	0.9
71.04997	7.1
71.56243	0.2
73.02921	0.3
75.04488	0.3
81.03411	0.6
83.04966	0.6
83.43047	0.2
85.02911	10.8
87.04472	0.3
97.02886	1.1
99.04435	0.3
107.04945	0.2
109.02924	0.3
111.00795	0.3
111.04443	0.5
121.02865	1.6
127.03932	0.9
129.05467	1.7
133.02896	0.2
137.02344	0.5
139.03899	0.3
145.04956	0.4
147.04387	0.5
147.06505	0.5
153.01843	2.3
163.03949	0.2
163.06116	0.2
165.01868	1.4
179.03423	0.3
183.02888	0.6
185.05908	0.3
197.06070	0.2
213.05466	0.8
231.06541	0.7
241.04964	0.6
258.05304	0.8
259.06036	0.3
287.05508	100.0
288.05801	2.4
299.05545	0.3
329.06659	0.4
330.06555	0.2
345.11014	0.2
363.11823	0.5
449.10828	19.5
450.11102	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2183
Annotation	Quercetin 3-isorhamninoside
Peak:m/z	Relative Intensity
53.03961	0.5
55.05501	0.9
57.03437	2.5
59.04988	0.3
61.02920	0.3
68.99796	0.5
69.03441	1.5
71.01349	0.3
71.04996	12.4
71.29469	0.5
73.02905	1.3
75.04480	0.8
81.03387	0.7
83.04979	2.8
85.02908	19.5
87.04474	0.7
95.04976	0.6
97.02887	1.3
99.04446	0.9
101.06055	0.4
109.02887	0.6
111.00817	0.6
111.04446	2.3
116.60651	0.3
117.05515	0.4
121.02876	0.9
127.03918	1.0
129.05487	4.8
135.04408	0.3
137.02376	2.4
145.04959	0.5
147.06529	1.6
147.61072	0.3
149.02434	0.3
153.01817	2.4
153.05510	0.5
162.98555	0.3
163.03893	0.3
163.06046	0.9
165.01804	1.6
173.06035	0.3
183.02899	0.7
201.05490	1.2
201.07294	0.4
229.04941	3.1
239.09154	0.9
247.06000	0.5
257.04440	2.3
274.04865	0.6
285.03925	1.0
300.19266	0.3
303.04996	100.0
304.05334	1.8
315.04822	0.6
341.94382	0.3
345.06076	1.5
381.06717	0.3
413.08798	0.5
424.19016	0.3
424.67844	0.3
431.09900	0.3
449.10867	2.1
465.10474	1.4
570.85876	0.3
658.41937	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2184
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
53.03928	0.1
55.01873	0.2
55.05485	0.1
55.10672	0.1
57.03439	1.1
61.02928	1.3
68.99788	0.3
69.03394	0.4
69.84035	0.3
69.84425	0.3
71.01328	0.1
71.04997	6.8
73.02885	0.5
75.04453	0.4
81.03398	0.2
83.04993	0.6
85.02908	9.4
87.04450	0.2
91.03952	0.8
93.59728	0.1
94.55073	0.1
97.02905	0.9
98.73383	0.1
99.04464	0.2
105.03327	0.1
107.04953	0.2
109.02834	0.3
111.00769	0.5
111.04414	0.4
119.31539	0.1
121.02879	1.5
127.03907	0.4
129.05487	2.0
133.02791	0.3
135.04384	0.1
137.02283	0.4
145.04910	0.5
145.06477	0.1
147.04390	0.4
147.06494	0.5
153.01826	1.9
157.06493	0.2
165.01823	1.3
171.04399	0.2
183.02937	0.7
185.05968	0.2
197.05977	0.2
213.05458	0.7
220.02357	0.1
231.06540	0.5
241.05005	0.7
258.05258	0.6
259.05991	0.3
269.04474	0.1
287.05502	100.0
288.05835	2.3
299.05408	0.2
329.06604	0.3
334.68552	0.1
353.06595	0.2
431.09326	0.1
449.10822	19.5
450.11081	0.8
647.30060	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71598	1.3
53.00299	4.4
53.03933	4.5
55.01870	4.5
55.05516	22.7
55.62228	1.5
56.00558	1.2
57.03449	11.3
57.07072	2.1
58.04991	1.1
58.53141	1.2
59.04996	1.4
61.02929	4.7
65.03947	1.6
67.05509	53.2
69.03429	3.1
69.07070	11.0
71.04984	2.5
71.56853	1.8
79.05056	2.5
79.05499	37.9
81.03399	3.3
81.07065	54.8
83.04977	4.0
83.08627	14.0
85.02905	3.8
86.09707	1.7
91.04971	2.4
91.05492	33.3
93.07054	51.1
95.04968	6.0
95.08611	36.0
97.02905	6.7
97.06519	3.2
97.10156	3.5
97.28594	1.3
99.00826	14.0
105.06388	2.1
105.07047	26.3
107.04948	5.3
107.08605	23.0
109.02895	10.7
109.06516	4.2
109.10165	17.8
111.08079	4.2
115.03953	1.8
117.07012	7.3
119.04903	1.8
119.08569	16.9
119.98489	1.1
121.06512	8.5
121.10138	13.8
123.08038	1.7
123.11677	7.0
125.09668	2.8
127.03948	2.7
131.08566	10.1
133.10147	42.9
135.07997	2.1
135.11716	9.7
137.06047	1.7
137.09595	1.5
139.07538	3.6
143.08606	6.8
145.05063	1.4
145.06441	1.8
145.10104	7.8
147.11694	4.5
149.09541	1.6
149.13306	6.1
151.11195	10.2
155.05927	1.3
159.11713	4.5
161.09619	17.7
161.13261	4.2
163.11201	1.7
163.14789	2.5
171.08098	4.3
173.13277	4.9
179.10699	9.0
184.07344	3.5
187.14807	1.9
189.09155	7.6
197.11679	1.4
207.10121	3.8
225.11223	14.4
243.12297	4.1
243.21179	5.8
261.22147	18.9
279.23236	1.6
281.13962	2.5
299.14920	86.7
300.15143	2.3
315.23062	3.6
317.24606	1.5
335.25824	100.0
336.26239	2.9
449.30283	2.2
467.31631	4.4
485.32739	1.8
513.35638	1.7
531.36810	2.0
541.35565	8.4
559.36365	48.8
560.36823	3.1
577.37561	1.8
743.60980	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	3.1
53.03949	4.7
54.58966	1.0
55.01877	4.3
55.05516	17.3
57.03441	9.9
57.07074	2.0
59.05011	1.3
61.02921	4.5
65.03934	1.5
67.05511	42.0
69.03439	2.2
69.07074	10.0
69.72259	5.3
71.01358	1.7
71.04992	2.8
73.02914	2.5
79.05500	29.6
81.03416	5.2
81.07065	52.5
83.04990	2.8
83.08623	12.9
85.02911	2.9
85.06553	2.2
86.05394	1.0
86.09705	2.6
91.03948	1.4
91.05489	32.0
93.07050	39.5
95.04974	5.8
95.08614	29.8
97.02893	4.8
97.06543	4.3
97.10194	3.0
99.00828	16.1
99.08102	1.7
103.05523	1.1
105.07034	23.1
107.04964	5.3
107.08604	19.6
109.02888	10.3
109.06535	4.2
109.10166	15.9
111.04476	1.2
111.08082	4.7
113.05953	1.1
115.03932	2.6
115.05493	1.1
117.07040	5.8
119.08574	16.3
121.06522	6.6
121.10159	14.2
123.08086	2.1
123.11690	4.9
125.00037	1.5
127.03960	4.8
128.06219	1.7
131.08557	9.0
133.06494	1.9
133.10139	39.7
135.08078	2.2
135.11711	8.5
137.09641	1.8
139.07596	2.0
143.08592	4.3
145.10136	4.6
147.04419	1.3
147.08066	1.1
147.11694	3.4
149.13281	4.0
151.11172	10.6
157.10257	1.2
159.11652	5.2
161.09634	18.4
161.13292	1.9
163.14861	2.4
171.08051	3.9
173.13301	3.1
175.14935	1.5
176.40105	1.1
179.10690	9.3
184.07356	4.4
187.14850	2.2
189.09128	8.8
197.11726	3.1
200.16414	1.0
201.16470	1.3
205.62772	1.1
207.10175	4.3
225.11235	16.0
233.22710	1.1
243.12337	3.8
243.21135	4.4
261.22174	18.9
281.13919	2.7
299.14911	100.0
300.15286	3.1
315.23032	1.4
317.24799	3.3
335.25815	71.4
336.26208	1.8
449.30389	2.4
467.31552	3.5
485.32504	2.6
513.36224	2.0
531.36810	1.7
541.35535	5.3
559.36322	31.1
577.37164	1.4
694.48950	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.8
55.05517	23.1
55.29108	4.2
57.03441	8.0
60.83785	4.6
62.44711	3.7
65.46111	4.1
67.05512	56.5
69.07061	15.5
71.04958	5.0
71.57153	4.0
79.05058	5.8
79.05496	86.3
81.03427	8.3
81.07060	62.4
83.04973	10.4
83.08616	6.2
86.09706	4.8
91.05483	97.0
93.07050	100.0
95.04967	27.1
95.08614	46.0
97.06562	7.3
105.04507	6.5
105.06385	7.0
105.07039	86.5
107.04969	8.6
107.08588	36.1
109.06512	6.3
109.10149	12.2
117.07027	26.8
119.07795	5.9
119.08597	66.7
121.10125	19.2
123.08085	7.9
129.07037	26.3
131.08559	26.3
133.10158	37.6
135.11697	18.6
141.06995	6.3
143.08569	21.3
145.10172	24.9
147.11694	65.3
149.13252	10.2
157.10138	10.3
159.11682	11.3
161.09648	6.5
161.13286	29.1
163.11220	4.3
169.10182	5.6
170.42743	4.4
171.11688	29.7
173.13272	10.7
175.14830	11.7
184.07310	6.5
185.13274	9.5
189.12772	7.3
207.13771	19.6
214.21550	4.5
231.21111	5.7
241.19527	27.5
257.19046	5.5
259.20572	58.9
279.15848	18.8
281.17468	72.8
297.22305	7.0
315.23181	5.2
333.24188	44.9
371.80368	4.8
447.32620	6.4
465.33673	11.8
521.36652	5.3
539.37384	76.2
557.38757	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	752.4946
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48184	3.3
53.03943	5.0
55.01872	2.9
55.05514	15.4
57.03445	17.3
57.07076	6.4
65.03939	2.7
67.05512	64.7
67.17982	3.4
69.07085	22.1
71.08634	5.1
76.96273	2.5
79.05064	3.6
79.05502	50.8
81.03416	3.5
81.06580	3.6
81.07066	64.4
83.04979	3.5
83.08612	10.6
85.02906	4.2
85.06518	6.3
91.05488	51.2
93.07051	67.2
95.04951	9.7
95.08616	36.2
97.06535	15.4
97.10155	2.7
99.08121	3.2
105.07039	31.0
106.69489	2.6
107.08604	31.8
109.10128	9.4
111.08075	5.4
115.73998	2.6
117.07051	18.9
119.08588	25.5
121.10141	19.6
123.11691	3.3
129.06992	7.9
131.08583	18.4
133.10138	23.8
135.08083	3.5
135.11699	11.1
143.08568	10.8
145.10144	9.3
147.11682	6.8
149.13254	22.0
157.10133	8.6
159.11707	14.9
161.13213	3.4
163.11179	3.3
171.11662	8.1
175.14865	5.6
177.12749	5.6
185.13284	8.0
189.16414	8.2
195.13850	5.0
199.14809	4.0
203.17976	19.1
215.17915	2.9
237.06337	3.3
269.17496	100.0
269.22440	14.9
287.23792	20.6
295.19009	7.5
314.27551	3.4
335.25894	13.2
336.58282	3.0
361.27435	32.5
394.00620	2.8
555.40527	78.9
604.77924	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	751.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	15.3
55.01866	10.9
55.05510	48.3
57.03439	12.5
58.50126	5.8
59.25271	5.4
67.05222	7.1
67.05513	76.1
69.03416	18.0
69.07086	30.9
79.05499	100.0
81.03432	50.9
81.07067	72.6
83.05003	33.4
83.08646	31.2
85.02912	13.1
91.05495	96.6
93.07066	95.6
95.04976	56.7
95.08625	43.8
97.02897	15.1
97.06526	9.4
97.10166	28.7
105.07033	63.2
107.04965	21.7
107.08622	40.6
109.02853	6.3
109.06526	11.2
109.10159	10.1
111.04478	7.6
113.32272	6.1
113.93936	7.3
117.07006	22.8
119.08630	48.3
121.06522	12.1
121.10105	12.6
123.04401	7.4
123.08092	33.3
125.09615	11.3
127.03903	11.6
128.06232	11.2
129.06992	27.0
131.08595	32.1
133.06505	11.0
133.10146	21.3
135.08002	9.6
143.08543	13.0
145.06509	9.9
145.10133	17.6
147.08034	20.9
147.11716	37.8
149.09605	8.8
155.08528	9.8
157.10114	11.4
159.11739	11.2
161.09634	10.5
161.13254	17.8
163.11115	7.2
169.12253	6.4
171.11659	25.4
173.13217	9.6
175.11122	7.8
187.13290	10.4
189.11220	13.1
189.12805	15.2
193.12282	21.1
207.13840	26.3
223.13271	14.0
227.12798	23.1
229.58659	7.2
242.65230	6.2
249.14883	6.5
256.64511	6.3
267.16034	11.7
273.18564	36.8
275.19968	10.9
281.17493	68.1
283.06427	11.1
287.16345	6.5
291.19507	78.2
301.07202	7.3
365.23422	32.2
437.22498	7.5
473.28970	33.6
491.30130	8.9
535.34564	6.8
553.34778	11.5
555.36346	10.9
571.36285	63.3
589.37280	10.4
715.40637	8.4
751.39844	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	752.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39843	0.9
53.03954	4.2
55.01880	10.3
55.05304	0.9
55.05517	9.4
57.03428	3.6
60.47418	0.9
65.03922	2.3
67.05509	27.8
69.03413	1.6
69.07072	14.2
69.92643	2.2
69.93060	2.6
71.04972	2.0
71.08620	1.7
73.06564	1.1
79.05498	30.6
81.03430	5.0
81.07061	30.1
83.04999	6.7
83.08637	4.0
85.06576	0.8
87.04480	1.1
91.05484	33.6
91.66722	0.8
93.07054	27.1
95.01316	3.4
95.04973	10.0
95.08615	17.8
97.02881	1.3
97.06540	23.1
97.10165	2.7
99.08097	1.2
103.05457	1.4
105.07037	38.7
107.04957	9.2
107.08604	10.8
109.06527	4.1
109.10146	5.9
111.08136	0.9
113.09619	0.9
115.05442	1.2
115.87685	0.9
117.07011	7.5
119.07788	1.6
119.08593	23.3
121.06519	2.1
121.10166	4.6
123.08063	3.6
125.09608	1.2
128.06207	1.4
129.07021	5.3
131.08589	9.0
133.10144	19.2
135.08044	2.7
135.11697	4.6
137.09599	1.2
139.07536	1.5
141.06987	1.8
143.08536	3.7
145.06506	1.6
145.10136	10.7
147.08083	1.4
147.11699	14.7
149.09631	4.2
149.13271	1.8
151.11197	2.0
155.08464	0.8
157.10216	1.6
157.52074	1.0
159.11694	4.3
161.09660	1.4
161.13226	5.0
163.11176	3.0
165.09055	1.3
171.11681	7.6
173.13274	1.8
177.12689	1.9
179.14337	6.0
181.10092	1.0
183.11681	0.9
184.07390	1.8
187.11208	1.5
187.14738	0.9
189.12782	2.9
195.13768	1.0
197.13268	1.1
205.73947	0.9
207.13853	5.7
229.19449	1.7
239.17581	1.0
247.20581	2.4
257.19000	2.8
263.16638	0.9
275.20078	43.6
276.20450	1.4
279.15872	2.8
281.17514	29.4
293.21088	3.1
349.23767	18.7
377.22983	1.1
426.57742	0.9
537.36603	1.7
555.36847	100.0
556.37219	5.5
573.37463	1.3
698.83209	1.1
767.87476	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.0
55.01864	5.5
55.05519	15.9
57.03440	10.6
67.05514	58.6
69.07078	14.7
71.03856	4.9
71.04169	5.2
79.05506	84.2
81.03426	6.2
81.07057	49.9
83.04994	9.4
83.08626	5.2
87.04488	17.9
91.05488	61.7
93.07056	86.2
95.04996	9.7
95.08609	39.9
97.06536	13.0
98.92333	3.4
105.07034	28.0
107.04958	8.0
107.08609	32.1
109.06479	4.2
109.10175	13.9
109.96284	3.0
111.08097	4.2
115.05469	9.0
117.07026	48.9
119.08589	16.1
121.06499	10.3
121.10156	35.3
123.08086	9.2
123.11701	3.4
129.06998	18.2
131.08575	42.7
133.10143	6.3
135.08080	14.1
135.11707	10.0
141.07037	11.0
142.52711	3.2
145.10150	12.5
147.11708	8.7
149.09615	11.1
149.13295	4.5
151.38287	3.2
155.08578	11.3
157.10124	8.6
159.11710	12.4
163.11177	3.6
171.11650	3.7
173.13290	15.8
183.11731	14.0
195.53865	3.0
201.12805	11.3
210.02600	3.2
226.18533	3.3
245.09784	3.7
261.22192	9.1
293.17490	74.6
335.25821	100.0
348.45981	3.7
372.95364	4.2
454.55374	4.1
553.38904	98.9
554.38959	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	750.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
55.05523	4.4
56.74125	0.5
57.03433	1.5
57.07073	0.9
58.49661	0.5
60.24317	0.5
62.06102	0.6
64.10801	0.5
67.05508	2.9
69.03416	1.3
69.06721	0.7
69.07073	11.3
70.06577	1.8
70.58839	1.0
70.59174	0.7
71.04999	5.3
71.08636	1.0
72.08149	2.4
73.02935	0.9
73.06544	0.8
79.05489	1.6
81.03415	1.4
81.07063	5.5
83.04988	2.4
83.08627	4.9
84.08148	1.3
85.02906	7.9
85.06532	0.7
86.06071	24.8
86.09681	1.0
87.04460	0.8
91.05500	0.9
93.07033	3.7
95.04985	1.1
95.08613	3.2
96.08140	6.2
97.02890	1.0
97.06533	3.0
97.10176	1.2
98.06042	1.4
98.09705	8.4
99.04444	1.4
105.07041	1.2
107.08607	3.4
108.08112	2.3
109.06500	0.6
109.10155	1.8
110.09669	1.2
111.08098	1.8
114.09143	1.4
115.07577	3.5
116.10738	56.0
117.07030	0.5
117.11077	0.5
119.08575	1.0
121.08887	0.6
121.10135	1.1
122.09699	2.4
124.07590	1.9
125.09628	0.8
126.09161	1.0
127.03922	1.0
129.05472	1.7
131.08553	0.6
136.11198	0.8
138.09142	1.4
140.10690	0.7
142.08659	7.5
145.10075	0.6
147.11684	0.8
149.13231	2.8
152.10698	0.6
159.11681	0.6
167.14345	1.1
193.08545	0.6
211.11147	0.8
212.16475	21.3
227.92151	0.5
230.17529	9.5
230.19788	0.7
231.15948	2.2
238.18033	2.2
239.16429	1.8
246.12236	0.5
256.19153	2.2
257.17490	4.8
264.23306	1.0
268.22659	1.2
285.11279	0.5
292.22821	2.4
303.05054	3.1
304.05304	2.6
310.23746	12.9
311.24039	0.7
326.23465	2.4
328.24841	100.0
329.10992	0.5
329.25177	3.0
344.24307	2.3
367.53021	0.5
379.32819	0.7
392.22855	1.1
401.07892	0.5
424.30600	6.4
442.25589	0.9
442.31668	12.6
474.30646	2.4
490.30136	9.1
586.36121	1.2
604.37311	3.5
627.09259	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35587	0.7
53.03940	1.0
55.05495	1.3
57.03436	1.8
61.02929	4.9
67.05513	5.4
69.03435	2.8
71.05013	1.0
71.57125	1.0
73.02924	2.2
79.05496	3.4
81.03426	3.0
81.07064	3.8
85.02909	6.7
91.03986	2.4
91.05486	3.3
93.07052	3.9
95.08612	3.3
95.13554	0.8
97.02901	4.0
101.02404	1.8
104.23295	0.9
105.07054	2.8
107.08595	2.2
109.02954	1.0
109.10153	1.1
111.08141	0.9
119.08600	1.9
121.10126	1.7
127.03945	1.1
129.06996	1.1
131.08604	1.2
133.10168	1.9
147.11790	0.9
157.10168	1.0
175.11290	1.3
181.13231	0.8
184.07339	1.0
193.12320	1.1
197.92426	0.8
211.13344	0.8
213.29163	0.9
243.08397	1.5
251.12675	0.9
307.18951	0.9
394.38782	0.8
469.20471	8.4
519.29144	5.0
657.34875	0.8
747.42932	100.0
748.43201	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	747.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	2.0
57.03435	2.3
61.02936	5.1
62.33527	0.7
66.32816	0.6
67.05508	7.2
69.03442	3.7
69.07062	1.3
71.57520	0.7
73.02927	4.3
74.17805	0.6
79.05503	4.4
81.03418	3.8
81.07063	5.0
83.08625	1.4
85.02917	7.5
91.03945	4.5
91.05489	4.3
93.07043	5.8
95.04966	1.4
95.08620	4.2
97.02889	5.7
99.04485	1.0
101.02392	2.5
105.07048	2.3
107.08626	2.8
109.02890	1.2
109.10172	2.0
119.08620	1.7
121.10159	2.4
127.03960	2.1
131.08591	1.5
133.10168	1.2
135.11659	0.9
141.69530	0.6
144.47095	0.7
147.11752	1.0
184.07382	0.9
185.54214	0.8
243.08449	1.3
251.12573	1.3
335.25861	0.9
386.92285	0.8
389.29828	0.7
416.18192	0.8
469.20596	3.3
514.25269	0.8
519.29285	8.7
725.14307	0.8
747.42932	100.0
748.43311	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	745.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.7
53.08681	0.3
55.01878	0.8
55.05514	1.4
55.98735	0.3
57.03440	2.0
61.02933	6.3
67.05514	6.2
69.03433	3.5
69.07054	1.7
71.05011	0.9
71.57661	0.4
73.02926	5.2
79.05508	3.5
81.03417	2.7
81.07065	5.2
83.04985	0.7
83.08629	0.9
85.02914	6.1
87.04494	0.5
90.08131	0.3
91.03966	3.3
91.05483	2.6
93.07063	4.4
95.04974	1.1
95.08616	4.4
97.02891	5.4
97.06525	0.6
97.10151	0.4
99.04462	1.1
101.02403	1.7
103.03944	0.4
104.46243	0.4
105.07067	1.5
107.04945	0.4
107.08610	2.5
109.02888	1.0
109.06571	0.5
109.10184	1.5
115.03931	0.4
117.07037	0.6
119.08618	1.6
121.10179	1.5
122.10491	0.4
123.08117	0.5
123.11712	0.4
127.03909	1.7
131.08594	0.9
133.10130	1.1
135.11728	1.5
145.10185	1.4
149.13327	0.4
162.42480	0.3
163.11252	1.1
180.24966	0.4
185.04308	0.4
243.08531	1.5
249.11133	0.4
335.26160	0.7
467.18805	3.0
479.31677	0.4
497.30832	0.3
508.79352	0.4
519.29315	9.5
529.69055	0.4
534.57471	0.4
705.85541	0.4
745.41370	100.0
746.41443	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.6
55.01875	0.7
55.05508	1.9
57.03437	2.5
61.02934	6.1
62.69902	0.4
67.05517	5.9
69.03432	3.8
69.07072	1.1
71.01361	0.6
71.05007	0.8
73.02924	4.2
79.05489	3.6
81.03419	4.0
81.07068	5.5
83.01335	0.6
83.05029	1.0
83.08646	1.6
85.02914	5.5
89.35092	0.4
91.03952	3.1
91.05476	2.7
93.07046	4.3
95.04975	1.0
95.08614	3.8
97.02897	5.7
97.06505	0.6
98.21541	0.9
99.04461	0.9
101.02396	1.8
103.03944	0.5
103.05482	0.4
105.07009	2.2
107.04988	0.6
107.08603	2.6
109.02890	0.6
109.06534	0.5
109.10177	1.8
117.07047	1.0
119.08622	1.8
121.10170	2.0
123.08120	0.5
125.09640	0.7
127.03905	0.9
129.05528	0.5
131.08582	0.8
135.11707	1.8
145.10136	1.0
145.18419	0.5
163.11229	1.7
164.80852	0.4
181.12251	0.6
185.04272	0.6
193.12206	0.8
211.13365	1.2
243.08470	1.6
283.15445	0.7
285.16959	0.9
335.25943	0.7
337.27496	1.3
338.27969	1.4
467.18918	8.8
519.29358	4.6
547.40027	1.1
548.40387	2.0
745.41339	100.0
746.41534	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	744.4899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.8
55.01878	1.4
55.05301	1.1
55.05515	13.2
57.03447	5.7
57.07082	2.5
59.05002	2.5
65.03934	3.3
67.05512	88.7
69.03412	2.2
69.07080	14.5
71.04998	17.3
73.02887	1.4
79.05062	2.0
79.05499	32.0
81.03427	2.4
81.07066	41.0
83.04977	4.8
83.08636	6.9
84.45231	1.0
85.02908	2.5
85.06556	2.8
91.03992	1.7
91.05488	22.5
93.06471	2.3
93.07056	39.8
94.77277	1.1
95.04982	2.9
95.08617	29.3
97.06545	3.3
97.10194	1.6
99.08118	1.5
105.04514	1.1
105.07043	11.9
107.08607	17.6
109.06544	2.1
109.10168	55.8
111.08095	1.9
115.79093	1.1
117.07062	5.9
119.04980	2.4
119.08598	16.0
121.10172	15.0
123.11729	2.7
125.09681	1.0
131.08592	7.5
133.10147	6.0
135.11707	17.1
137.09628	7.5
139.11209	2.1
145.10162	5.7
146.37100	1.1
147.04416	2.7
147.11679	4.9
149.13246	3.5
155.10631	3.7
157.10089	1.3
159.11697	2.8
161.13324	2.2
163.11176	4.0
171.11723	1.7
173.11772	5.1
173.13222	2.4
190.83136	1.2
229.74008	1.2
243.15938	1.3
255.15968	4.6
261.22055	2.6
287.15576	1.5
287.18576	18.5
321.03152	1.1
335.25839	30.5
399.79321	1.4
462.75674	1.2
471.34802	3.0
489.35800	100.0
490.36069	4.6
492.03677	1.2
503.37231	3.9
515.37433	10.3
516.37927	1.3
547.40033	71.2
548.40472	3.7
585.54431	1.3
611.84558	1.2
745.39441	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.01883	3.9
55.05270	1.3
55.05515	18.2
57.03196	0.7
57.03444	9.7
57.07080	5.0
59.05005	1.1
61.02911	2.9
66.02795	0.8
67.05508	15.2
68.06245	0.8
69.03439	1.4
69.06725	1.3
69.07073	19.8
69.55648	6.0
71.01349	0.8
71.04978	2.8
71.08629	2.8
73.02902	0.7
79.05495	12.3
81.03423	5.5
81.07065	19.6
81.40726	0.7
83.01340	4.2
83.04988	6.5
83.08155	1.0
83.08628	17.8
85.02908	5.0
85.06554	1.0
85.10170	1.8
91.03954	1.9
91.05496	7.2
93.07051	17.7
95.04960	3.8
95.08611	16.5
97.02867	3.0
97.06518	2.8
97.10185	8.3
99.04449	1.2
99.08089	0.9
105.07052	6.1
107.04974	4.0
107.08604	7.3
109.06510	3.6
109.10147	6.4
111.04441	1.9
111.08088	1.6
111.11720	2.2
117.06996	3.4
119.08582	5.8
121.06500	2.1
121.10150	8.6
123.08068	5.6
123.11691	1.4
125.05999	1.2
129.06958	0.9
130.07774	0.9
131.08601	1.9
133.10130	1.6
134.64723	0.7
135.08057	0.9
135.11705	8.7
137.09668	0.9
145.10129	8.6
147.08041	1.4
149.13243	1.4
153.12695	1.4
163.11185	15.0
163.14894	1.1
173.09720	1.9
177.16434	1.1
177.49635	0.8
181.12260	2.2
191.10623	1.6
209.11768	4.8
227.12773	3.1
247.24295	0.9
265.25192	1.5
283.15414	100.0
284.15753	1.7
339.28967	71.4
340.29260	2.2
473.52527	0.9
543.39734	0.8
547.40009	48.6
548.39844	2.1
711.06555	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.5827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
55.01883	0.5
55.05260	0.6
55.05511	6.2
56.05034	3.8
57.07072	2.6
60.04512	1.8
63.62886	0.5
65.03925	1.0
67.05508	15.3
68.05015	0.6
69.03422	1.4
69.06718	0.8
69.07068	8.6
69.88184	2.7
70.06584	1.8
71.08634	1.9
79.05499	12.5
80.05025	2.9
81.03426	0.7
81.05788	1.4
81.07066	13.2
81.39812	0.5
82.06585	6.4
83.04954	0.9
83.08627	4.8
85.02921	2.8
91.05486	10.6
92.25487	0.5
93.07051	10.7
94.06573	19.5
95.04978	1.9
95.07362	7.8
95.08609	9.9
96.08134	5.1
97.02871	1.7
97.10168	2.9
98.20787	0.9
101.31014	0.5
105.04519	0.8
105.07037	7.2
107.08591	5.4
108.08147	3.1
108.08752	0.6
109.10173	3.8
110.09676	0.9
111.08039	1.0
111.11769	0.6
119.08566	5.1
121.10149	5.9
122.09645	2.5
123.11726	1.7
133.10130	4.0
135.11748	3.6
137.13203	0.8
145.10178	1.0
147.11684	2.1
149.13281	1.2
161.13306	1.3
163.14912	1.0
171.11697	0.9
184.07326	0.6
203.40726	0.6
219.20930	0.5
233.22615	3.0
234.22168	0.9
245.22655	4.3
250.25301	7.4
262.25317	100.0
263.25732	1.5
267.33960	0.6
280.26419	5.9
281.17480	2.4
282.27936	1.1
300.28998	5.1
339.29028	1.6
442.31790	0.8
532.50800	5.8
544.50909	27.8
545.42010	3.9
545.51239	1.6
546.52399	5.3
562.51910	15.6
681.85419	0.6
724.56934	3.4
725.56714	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.5101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.3
55.05516	17.1
56.07833	1.9
57.03426	5.1
57.07065	7.3
59.09856	1.7
67.05516	20.6
69.07069	20.2
71.08616	3.0
71.57507	2.3
79.05059	2.3
79.05499	29.8
81.03397	2.9
81.07061	29.1
83.04987	4.4
83.08624	12.4
85.06555	1.9
85.10195	1.9
91.05489	25.9
93.07054	35.4
95.04974	11.0
95.08613	20.4
97.06570	2.7
97.10175	6.3
105.07052	16.6
107.04961	2.7
107.08583	9.5
109.10159	8.5
117.07021	3.3
119.08596	10.7
121.06536	2.3
121.10156	5.5
123.08020	2.5
123.11730	2.6
129.07016	8.0
133.10115	2.7
134.03326	1.7
135.11717	4.5
143.08569	3.4
145.10144	4.5
147.11696	15.8
160.24031	2.0
161.13326	3.9
171.11693	11.3
184.07378	2.6
189.12770	6.0
207.13811	16.1
250.20842	1.8
257.16998	1.9
262.25232	2.6
281.17517	52.2
281.20660	2.6
339.28970	48.4
415.40714	2.1
545.42004	100.0
546.42072	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	742.474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.8
55.01875	6.7
55.05269	1.6
55.05518	31.4
56.98316	1.6
57.03443	15.4
57.07071	4.7
59.05001	2.6
61.02926	4.8
65.03930	2.7
67.05511	57.2
69.03426	3.0
69.07076	19.6
69.99375	7.9
71.01363	2.0
71.05006	3.3
71.08633	2.1
73.28829	1.3
79.05058	2.6
79.05502	29.7
81.03425	13.1
81.07063	62.1
83.01340	9.2
83.04990	11.5
83.08629	21.5
85.02909	8.2
85.06543	2.6
91.03973	3.3
91.05499	24.4
93.07057	38.8
95.04980	6.3
95.08616	43.8
97.02911	4.9
97.06530	6.1
97.10185	8.6
99.04446	2.4
99.08054	1.7
100.61214	1.6
105.07041	15.7
107.04910	3.6
107.08601	19.0
109.06540	6.8
109.10168	15.2
111.04458	2.2
111.08096	3.4
117.07021	6.8
119.08603	14.7
121.10143	14.9
123.08064	6.7
123.11719	5.5
125.09623	3.8
127.03915	2.1
129.07010	2.6
131.08600	4.8
133.10165	5.9
135.08116	1.6
135.11719	17.2
137.09615	2.0
138.77597	1.5
145.10155	13.0
147.08055	4.2
147.11690	5.8
149.13196	2.3
153.12698	4.0
161.13327	4.1
163.11209	20.6
163.14847	2.0
173.09674	3.7
175.14888	3.1
181.12231	3.6
191.10651	2.6
209.11786	8.9
218.94173	1.7
227.12813	8.1
245.22739	4.3
263.23715	7.7
283.15421	98.2
284.15851	3.3
285.16849	2.7
335.25964	3.8
337.27390	100.0
338.27881	1.9
430.02710	1.6
453.33643	2.3
527.37604	3.5
545.38379	79.3
546.39496	2.2
742.42682	4.5
743.43384	8.8
770.17999	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.2
55.01864	2.7
55.05305	1.5
55.05517	17.9
57.03444	11.0
57.07057	3.2
61.02926	3.1
67.05508	50.4
69.03433	2.9
69.07065	10.3
70.17475	5.3
71.04989	3.8
72.77677	1.6
77.03880	1.9
79.05495	39.1
81.02980	2.6
81.03425	43.9
81.07061	53.0
83.05005	9.1
83.08621	17.8
85.02499	1.7
85.02914	17.1
91.03972	1.7
91.05483	35.9
93.06471	2.3
93.07051	41.3
95.04964	16.6
95.08611	35.3
97.02908	3.2
97.06540	4.2
97.10172	2.9
99.08051	2.2
105.07038	25.5
105.63878	1.6
107.04955	6.2
107.08602	18.3
107.81566	1.5
109.06509	4.7
109.10150	13.5
111.08094	8.9
113.05997	2.7
117.07011	4.4
119.08585	24.0
121.06470	2.3
121.10141	17.8
123.08031	3.0
123.11674	4.0
129.07005	5.7
131.08604	14.8
133.06451	2.2
133.10141	17.0
135.08078	2.0
135.11700	10.1
137.09599	3.1
142.07770	2.1
145.10109	4.8
147.07964	1.6
147.11670	13.4
149.09624	3.7
149.13243	4.0
157.10149	10.0
159.11653	4.4
161.13228	3.3
163.11201	3.7
165.12723	3.4
173.13257	3.2
175.11241	13.0
193.12262	31.6
211.13310	40.5
227.12694	1.6
243.21025	2.8
261.22186	9.3
267.16022	17.0
283.15341	5.2
284.15884	3.0
285.16974	46.4
294.94116	1.6
317.24625	2.0
335.25833	59.9
336.25970	4.6
353.06308	1.5
368.44104	1.8
453.33124	2.2
503.57202	1.7
527.37439	7.6
545.38379	100.0
546.38641	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.7
55.01871	3.1
55.05265	1.8
55.05516	24.8
57.03442	18.5
57.07078	1.9
59.05005	1.4
61.02914	5.1
65.03927	2.4
67.05510	63.1
69.03421	5.7
69.07078	14.8
71.04984	5.7
71.07172	3.5
77.03903	1.3
79.05500	53.4
81.03424	61.2
81.07064	59.6
83.04980	16.1
83.08622	27.8
85.02908	27.9
85.06549	3.3
91.03943	2.1
91.05486	51.7
93.07051	45.9
94.07373	1.7
95.04980	26.8
95.08610	36.9
97.02874	4.9
97.06519	3.9
97.10165	6.1
99.08072	1.7
100.77003	1.3
105.06380	2.4
105.07039	32.9
107.04967	6.8
107.08606	25.1
109.06519	5.7
109.10162	16.6
111.04433	2.4
111.08078	11.0
115.05416	2.2
117.07021	4.0
119.08584	23.5
121.06527	3.4
121.10149	24.0
123.08057	4.3
123.11723	4.2
125.09634	2.4
126.53375	1.3
127.07603	1.5
129.07027	11.2
131.08582	19.8
133.06499	2.4
133.10144	19.2
135.11694	8.1
136.19580	1.4
137.09625	2.1
137.13274	1.8
140.06203	1.3
142.07816	3.0
145.10121	6.5
146.08253	1.3
147.07991	2.3
147.11713	17.8
149.09644	7.6
149.13258	4.9
151.11143	1.4
157.10115	13.2
159.11697	2.9
161.13275	1.8
163.11230	2.1
163.14842	1.8
165.12781	2.5
173.13240	3.6
175.11197	12.1
177.16380	1.8
187.13341	1.3
187.14830	3.2
193.12253	43.0
211.13310	86.4
212.13718	2.2
243.21190	3.1
261.22177	11.5
267.15927	17.2
274.43869	1.3
285.16989	88.6
307.26129	1.5
317.24799	2.3
335.25821	86.0
336.26144	2.7
453.33789	3.1
527.37213	13.0
545.38416	100.0
546.38422	4.8
747.13922	2.0
750.58789	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.8
55.01873	2.6
55.05515	30.6
57.03187	1.5
57.03443	19.8
57.07073	2.7
59.04998	1.6
60.23221	0.8
61.02928	6.3
65.03940	3.7
67.05511	74.1
69.03435	6.1
69.07076	18.7
69.83820	4.3
71.05002	6.7
72.35546	1.0
73.02928	2.3
74.53752	1.0
75.60481	0.9
77.03943	1.1
79.05500	55.5
81.03423	60.2
81.07063	74.6
83.04989	16.8
83.08628	24.5
85.02911	28.4
85.06544	2.6
87.04455	1.0
90.45840	0.9
91.03960	3.0
91.05489	48.7
93.07053	57.5
94.07373	1.3
95.04361	1.3
95.04979	27.4
95.08611	45.0
97.02903	4.0
97.06539	6.1
97.10175	5.4
99.08099	1.6
105.04494	1.2
105.07040	34.3
107.04955	5.9
107.07874	1.5
107.08601	26.5
109.02899	1.1
109.06530	6.0
109.10166	17.0
111.04439	2.3
111.08081	11.5
113.06023	2.4
115.05472	2.1
117.07016	7.1
119.08593	31.2
121.06549	2.2
121.10153	24.4
121.96407	0.9
123.08067	2.7
123.11719	3.9
125.09648	2.4
129.07007	13.7
131.08580	19.6
131.09509	1.4
133.06502	2.9
133.10136	17.8
134.08011	1.0
135.11702	10.8
137.09639	3.4
137.13248	1.8
142.07808	2.7
143.08580	1.8
145.10136	8.0
147.08058	3.1
147.11690	18.4
149.09671	7.3
149.13272	7.2
150.76451	0.9
151.11189	1.2
157.10139	13.8
159.11725	3.8
161.13261	4.2
163.14780	2.6
165.12738	2.5
171.11673	2.4
173.13312	3.1
175.11208	13.3
175.14781	1.9
183.11742	1.2
185.13335	1.2
187.14859	1.8
193.12259	38.9
194.12770	1.1
195.11752	1.4
211.13286	48.6
227.12849	1.2
243.21124	3.5
261.22195	9.7
267.15930	14.3
285.16980	59.2
317.24722	2.6
320.28302	1.1
335.25809	96.2
336.26285	4.6
435.32413	2.0
453.33945	2.0
471.35004	1.4
486.05939	1.0
527.37213	13.9
527.44519	1.4
545.38416	100.0
546.38800	5.4
581.41815	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	742.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.8
55.01871	9.8
55.05517	26.3
57.03435	13.2
65.03938	3.1
67.05512	56.3
69.07069	16.1
71.04983	4.8
71.36993	4.1
71.37328	5.5
74.09718	3.7
76.02225	3.7
79.05496	49.8
81.03416	17.2
81.07062	74.4
83.04975	14.0
83.08637	20.2
85.06528	6.3
87.06851	3.2
87.56346	3.3
91.05488	100.0
93.07057	29.4
95.04976	17.0
95.08612	24.5
95.67670	3.3
97.02884	8.5
97.06537	11.1
103.05450	3.3
105.07043	53.0
106.73185	3.3
107.04971	22.1
107.08593	20.3
109.06528	26.0
109.10188	7.7
111.08089	3.9
117.07012	18.4
119.08594	37.1
121.06545	4.2
121.10156	14.0
123.08043	6.7
128.06224	3.6
129.06989	7.9
131.08569	14.0
133.10127	45.3
135.08058	9.5
135.11703	6.1
137.09628	5.9
143.08556	9.8
145.10104	7.7
147.11665	24.4
149.09631	18.9
149.13156	3.2
151.11246	4.2
157.10088	3.6
159.11659	7.5
161.09637	16.2
163.11197	7.6
165.12831	4.1
167.07007	7.6
171.11702	7.4
173.13272	4.8
179.10709	4.3
189.12845	3.9
207.13846	3.5
219.65915	2.9
247.17039	5.1
253.14352	72.2
257.19156	3.4
275.20105	49.6
281.17554	11.6
293.21088	8.8
294.52301	3.0
349.23782	40.5
367.24872	7.4
377.23294	6.1
447.27493	7.3
509.32205	4.2
527.33704	50.6
545.34906	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.1
55.01861	7.3
55.05515	14.9
57.03416	7.5
60.05672	2.4
65.03960	5.2
67.05170	3.0
67.05510	46.4
69.03411	6.0
69.07065	19.7
70.16628	9.5
71.04994	4.0
76.24414	2.1
79.05057	3.0
79.05497	40.9
81.03416	17.1
81.07059	49.1
83.04979	13.3
83.08610	13.3
85.02900	3.4
85.06531	3.4
89.09868	2.1
91.05489	100.0
93.07053	43.2
95.04994	10.5
95.08618	19.7
97.02881	2.6
97.06544	12.5
97.10160	5.3
99.08143	2.7
105.07036	43.6
107.04971	15.5
107.08604	23.5
109.02892	2.6
109.06506	6.2
109.10137	7.6
111.04464	2.7
111.08089	5.8
117.07027	20.0
119.08580	24.1
121.06509	5.5
121.10165	13.1
123.08055	4.2
125.09679	3.0
127.03943	3.7
127.07457	2.3
128.06232	2.6
129.06987	6.5
131.08562	17.5
133.06419	2.4
133.10143	38.4
135.08051	8.8
135.11688	9.9
137.09592	4.1
139.07434	2.5
143.08543	7.4
145.10176	12.1
147.08003	3.3
147.11662	10.7
147.85698	2.6
149.09607	22.6
149.13232	3.9
151.11166	4.1
157.10146	3.2
159.11714	11.1
161.09637	13.9
161.13266	6.0
163.11189	7.5
169.10205	2.2
171.11644	5.0
173.13239	2.4
179.10643	9.1
184.07387	2.6
195.13847	2.6
207.13791	4.0
219.17477	3.7
229.15886	2.9
239.17679	3.1
247.16879	7.2
253.14369	62.8
255.15710	3.1
257.19006	5.5
265.17987	2.9
269.17462	15.6
275.20166	17.9
281.17407	10.9
345.53931	2.2
349.23779	12.3
367.24747	2.6
429.26505	3.1
433.25867	13.9
447.27454	52.5
487.30756	3.6
527.33698	22.1
545.34998	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	740.4945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.8
55.05518	8.9
57.03443	7.5
59.43205	2.8
59.99312	2.5
63.91391	2.6
67.05174	3.9
67.05513	44.3
69.07082	16.2
69.25198	6.4
69.25597	27.8
69.84256	2.7
79.05496	33.6
81.03435	3.9
81.07063	46.4
82.99095	3.0
83.05009	4.7
83.08642	13.6
91.05489	24.9
91.84570	3.4
93.07051	33.9
95.04990	7.3
95.08621	29.6
96.08918	3.3
97.10176	4.6
98.21449	6.5
105.07032	22.1
107.04957	4.5
107.08610	9.6
109.10158	10.8
119.08589	15.9
121.10128	4.7
123.08045	3.8
123.11690	3.4
129.07016	6.1
133.10095	7.0
145.10141	3.0
147.11710	13.5
149.09616	3.7
149.13239	4.4
159.99092	2.9
161.13283	7.5
171.11717	7.5
172.09315	3.0
189.12799	3.5
207.13857	11.9
210.57187	2.8
262.25436	5.5
281.17526	29.0
337.27420	48.0
341.76028	3.3
543.40472	100.0
544.40308	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	741.2238
Annotation	Kaempferol 3-isorhamninoside
Peak:m/z	Relative Intensity
57.03429	2.7
58.38150	0.8
59.86687	0.7
69.03426	1.7
69.81744	4.0
71.04647	1.0
71.04998	12.5
83.04971	2.9
85.02425	1.4
85.02911	16.9
97.02917	1.4
98.21422	1.1
101.71778	0.9
108.46092	0.8
109.02887	0.8
111.04440	2.5
121.02865	2.3
129.05489	4.5
136.03931	1.3
147.06599	1.8
153.01830	3.5
163.05956	1.3
163.71613	0.7
165.01859	0.9
183.02930	0.7
239.09238	0.7
247.06105	1.1
277.12100	0.9
287.05527	100.0
288.05801	1.8
329.06635	1.2
335.10324	0.8
409.17444	0.9
433.11017	1.7
449.10953	1.0
705.30066	0.9
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
53.03958	5.0
54.52342	0.9
55.01868	9.4
55.05515	22.2
55.05777	1.7
55.35395	0.9
57.03444	16.0
57.07077	2.6
59.05007	2.6
61.02934	5.3
65.03928	2.5
67.05511	45.0
69.03440	1.9
69.07072	11.7
70.17071	4.4
71.04984	4.0
79.05497	41.3
80.22614	1.0
81.03426	12.4
81.07062	50.8
82.07395	1.1
83.01350	8.2
83.04993	12.9
83.08623	14.7
85.02904	8.1
85.06534	1.4
91.03941	2.1
91.04966	1.8
91.05492	26.4
93.07054	48.8
95.04977	8.2
95.08610	35.8
97.02892	4.9
97.06532	4.3
97.10165	4.1
99.04443	3.7
99.08106	1.5
105.04506	1.3
105.07044	19.0
107.04963	7.9
107.07868	1.7
107.08600	28.3
109.06551	7.6
109.10164	15.3
111.04426	1.5
111.08075	3.3
113.79144	1.0
115.05449	1.8
117.07023	11.6
119.08577	15.5
119.09361	1.6
121.06522	2.5
121.10152	20.8
123.08076	7.4
123.11710	4.0
125.05982	1.4
125.09642	4.0
129.07007	2.5
130.07814	1.5
131.08589	10.8
133.10159	8.4
135.08046	2.0
135.11702	19.4
137.09624	1.5
143.08604	2.1
145.10135	20.7
147.08093	2.1
147.11707	5.6
149.13275	3.8
153.12750	2.8
155.08531	1.7
159.11642	5.0
161.13274	2.7
163.11198	23.0
163.12534	1.7
163.14784	3.3
173.09586	2.8
173.13284	4.4
175.14784	1.1
177.16429	1.3
181.12247	3.2
187.14876	2.9
189.11224	2.8
191.10719	2.4
193.12250	2.4
209.11760	8.5
227.12831	10.9
243.21005	4.5
259.20685	1.4
261.22144	16.3
283.15417	100.0
284.15778	2.7
297.21924	1.2
299.23734	3.6
317.24811	3.5
333.24445	2.0
335.25809	73.8
336.26163	2.1
433.31207	1.4
451.32169	2.8
469.32892	2.7
525.35474	3.3
531.40765	1.1
543.36853	43.6
544.37018	2.3
561.37848	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	738.4791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77785	0.6
53.03941	2.3
55.01877	1.4
55.05518	5.2
57.03439	3.3
57.07086	1.0
65.03944	1.0
67.05178	1.1
67.05511	17.9
69.03425	1.1
69.07069	4.4
70.72598	0.6
71.15089	0.7
71.15446	1.2
79.05496	24.0
81.03423	3.5
81.07062	14.7
83.04986	4.1
83.08617	2.7
85.02899	1.9
85.06558	0.8
91.05487	17.9
93.07050	22.6
95.04975	6.9
95.08616	10.3
97.02869	1.1
97.06506	1.2
97.10192	1.3
105.07038	12.0
107.04987	2.1
107.08601	7.4
109.02866	1.1
109.06526	1.8
109.10160	2.2
109.69448	0.6
111.08049	0.7
115.05451	0.8
117.07007	3.7
119.08590	7.5
121.06522	1.3
121.10160	2.3
123.08055	2.1
127.03892	2.0
128.06229	0.9
129.07019	5.0
131.08556	2.5
133.10146	4.5
135.11700	2.5
143.08560	2.4
145.04918	0.8
145.10152	4.6
147.08040	0.9
147.11693	10.0
149.13266	1.2
150.52982	0.7
159.11694	1.6
161.09615	1.5
161.13248	4.7
171.11705	8.9
173.13243	0.9
177.05580	0.8
181.12280	1.0
184.07419	1.1
189.12744	2.6
207.13828	8.7
261.22003	1.1
281.17496	100.0
282.17892	2.3
325.16229	0.9
345.23993	0.7
351.17676	1.0
369.24002	0.7
423.27231	1.4
505.62885	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	4.3
55.01877	7.7
55.05262	1.5
55.05515	21.8
56.79281	0.7
57.03180	1.4
57.03444	16.7
57.07073	2.3
58.83076	0.8
59.04999	3.5
61.02927	6.6
65.03939	2.8
67.05511	55.6
67.16309	0.7
69.03433	3.8
69.07073	10.8
69.92772	1.3
69.93169	2.7
71.01379	1.2
71.05000	4.1
71.39606	0.8
73.02914	1.7
77.17283	0.8
78.07840	0.8
79.05499	45.2
80.06236	0.9
81.03423	11.5
81.07064	56.0
83.01350	8.7
83.04991	9.9
83.08630	14.1
85.02924	8.7
85.06538	2.0
91.03953	2.2
91.05488	27.3
91.06064	0.7
93.07053	58.2
94.07359	0.8
95.04987	8.5
95.08616	37.6
97.02894	6.1
97.06535	7.2
97.10184	5.5
99.04470	2.7
99.08124	1.3
105.04498	0.9
105.07038	22.0
107.04975	7.5
107.08603	31.1
109.06518	7.5
109.10160	15.8
111.04438	2.1
111.08098	3.5
113.06004	1.0
117.07036	12.3
119.08595	15.5
121.06476	4.3
121.10152	21.5
123.08077	9.7
123.11722	5.0
125.05981	1.7
125.09661	3.8
127.03918	1.3
129.07008	2.1
130.07788	1.6
131.08575	10.4
133.10141	10.9
135.08046	2.4
135.11705	20.5
137.09618	2.3
137.13243	1.2
143.08580	1.9
145.06474	1.2
145.10129	21.6
147.08017	1.4
147.11702	6.1
149.09648	1.1
149.13284	4.9
151.11244	1.1
153.12755	3.7
155.08603	1.6
157.10127	1.1
159.11703	6.7
161.13263	4.7
163.11195	23.1
163.14874	3.6
164.11455	0.9
171.11676	1.4
173.09676	3.6
173.13200	5.4
175.14842	2.3
177.16331	0.8
181.12279	2.7
187.14832	2.7
189.11211	2.8
191.10696	3.9
193.12303	1.4
209.11761	9.3
227.12791	10.6
241.19548	1.1
243.21120	4.9
259.20697	1.3
261.22150	19.0
261.24835	1.4
262.22534	0.8
267.15903	1.8
269.19217	0.9
283.15417	97.6
284.15854	3.5
285.17038	1.2
299.20898	0.8
299.23712	4.4
317.24866	5.7
333.24072	1.6
335.25827	100.0
336.26071	2.8
433.31027	2.5
451.32016	2.8
469.33093	2.8
471.31503	1.1
487.33862	1.3
488.39111	0.9
525.35889	4.0
543.36853	72.9
544.37274	5.3
561.37958	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36836	3.9
53.03949	7.7
55.01861	12.6
55.05519	26.4
56.40479	4.2
57.03424	11.7
65.03925	8.8
67.05515	61.6
69.03410	17.1
69.07057	18.9
69.63000	3.6
71.04981	7.0
71.56747	7.3
79.05492	63.4
80.78739	4.0
81.03426	31.7
81.06577	5.6
81.07067	100.0
83.04973	18.7
83.08599	10.9
85.02899	12.4
85.06523	6.2
89.41035	3.7
91.05490	69.7
93.07056	53.5
95.04965	19.0
95.08607	44.0
95.09171	5.9
96.64940	4.1
97.02911	5.7
97.06493	8.5
104.10800	4.4
105.07034	43.7
107.04938	16.2
107.08597	22.1
109.06515	18.7
109.10154	10.9
117.07042	16.1
119.08573	31.0
121.06551	7.3
121.10131	17.9
123.08048	8.3
123.11732	5.5
126.16889	4.1
127.03957	7.2
129.06970	15.1
131.08592	22.9
133.06541	5.8
133.10120	20.5
135.11694	7.8
141.06956	5.5
143.08540	7.1
145.06502	6.9
145.10104	12.9
147.08005	7.0
147.11667	31.5
149.09637	9.3
149.13248	6.5
151.49120	4.1
155.08498	6.2
159.07996	5.0
159.11713	9.5
161.09608	4.9
161.13222	9.5
165.12747	7.4
171.11662	13.0
173.09528	4.1
173.13243	6.6
175.14813	4.1
197.13354	6.7
201.32640	4.3
207.13750	9.9
257.18622	4.3
275.20099	41.1
281.17520	26.4
287.16263	11.5
293.21085	8.0
349.23700	13.5
367.24799	15.8
425.21698	7.9
531.87683	4.6
555.36963	21.0
573.37836	19.6
575.47565	5.2
597.37732	7.2
699.40332	5.4
735.38678	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	735.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	12.9
53.73833	3.5
55.01870	15.1
55.05514	33.4
57.03432	13.9
61.02927	6.2
65.03930	4.3
67.05169	5.7
67.05512	78.1
69.03431	12.7
69.07081	22.2
71.04991	6.7
79.05493	100.0
81.03418	30.9
81.07061	90.3
83.04991	21.7
83.08628	13.9
84.42001	4.0
85.02914	14.3
85.06551	4.8
91.05492	81.0
93.07043	86.5
95.04964	33.1
95.08615	45.2
97.02891	14.1
97.06548	20.4
97.10162	5.4
99.04456	4.4
105.04559	5.4
105.07037	66.7
106.07395	4.9
106.20452	4.1
107.04950	19.9
107.08589	42.1
109.02879	5.2
109.06596	7.4
109.10181	17.1
111.08087	8.0
115.05445	5.7
117.07006	30.2
119.08587	51.3
121.06532	7.7
121.10164	18.0
123.08086	8.2
125.09631	4.6
127.03916	9.8
129.07001	27.7
129.09583	4.1
131.08569	25.2
133.06508	5.5
133.10138	30.8
135.08110	6.4
135.11716	9.6
138.35275	4.4
141.06937	4.2
143.08575	15.4
145.06461	5.3
145.10103	30.5
147.08101	5.7
147.11703	40.4
149.09616	11.3
149.13292	8.4
151.11128	4.8
157.10135	9.1
159.11728	16.2
161.09653	10.6
161.13255	10.1
163.11244	8.2
165.09154	5.5
171.11725	30.6
173.04460	10.1
175.11230	4.5
177.08939	3.8
177.12903	4.6
189.12758	10.0
207.12056	4.1
207.13837	26.6
227.12779	12.0
255.29730	4.2
257.19028	16.9
267.16104	4.2
275.20050	59.4
279.15735	4.8
281.17496	64.9
349.23727	36.2
382.67361	4.7
460.91330	4.5
475.30579	33.1
488.88657	4.2
555.36908	39.2
573.37634	12.7
619.34497	10.7
735.38898	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	734.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.4
57.03443	0.9
58.95798	0.5
67.05491	0.8
69.03429	0.8
69.07055	1.7
70.06602	0.8
71.04997	2.2
71.08631	4.1
71.56927	0.5
71.57309	0.5
72.08147	0.9
72.09586	0.4
79.05499	0.7
81.03414	0.7
81.07055	2.2
83.04974	0.6
83.08620	1.1
84.00388	0.5
84.08136	0.6
85.02914	3.4
86.06062	2.9
91.05503	0.8
91.85370	0.5
93.07041	1.1
95.08596	2.0
96.08129	2.5
98.09669	1.8
99.08096	2.3
105.07037	0.6
107.08580	0.9
108.08122	1.2
109.10155	0.6
110.09657	0.6
111.04468	0.6
116.10745	15.2
119.08540	0.4
121.10135	0.7
122.09641	1.0
126.09070	0.6
127.03890	0.6
129.05449	0.9
133.10097	0.6
136.11267	0.5
143.10684	1.6
149.13306	1.6
154.15912	3.4
159.11594	0.5
166.15926	2.7
168.17468	0.8
178.15950	1.2
196.17009	6.3
214.18045	100.0
215.18373	1.8
231.15971	1.6
257.17551	1.0
274.20959	0.4
310.23917	1.4
328.24969	3.3
360.23917	0.8
376.23358	4.6
408.31393	1.1
426.26428	0.8
426.32104	12.9
483.77100	0.5
522.29199	1.4
588.37286	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	732.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54302	0.3
55.05510	0.7
56.29797	0.3
67.05495	0.6
68.09818	0.2
69.03419	0.6
69.07059	0.8
70.08186	0.2
71.04993	1.6
71.57116	0.5
79.09587	0.2
81.03395	0.6
81.07060	0.5
83.04993	1.4
83.08623	0.8
85.02906	2.0
86.06072	100.0
87.06418	0.8
91.05453	0.3
93.07057	0.7
95.04980	0.4
95.08604	0.5
97.02869	0.3
97.10136	0.3
102.77053	0.2
105.06998	0.4
106.85493	0.2
107.08598	0.5
109.10148	0.4
111.04430	1.6
111.74253	0.2
119.08688	0.4
121.10168	0.3
127.03896	0.5
129.05525	1.1
135.11674	0.3
145.05028	0.3
149.13306	1.1
156.46872	0.3
157.88239	0.3
159.11745	0.4
167.14296	0.4
186.89345	0.3
231.15952	2.4
238.18008	0.3
256.19113	1.2
297.22617	0.3
323.18652	0.5
339.18246	0.6
732.33557	0.5
754.76611	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.4346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.1
57.03432	1.9
61.02936	5.1
67.05511	6.1
69.03446	3.2
69.07081	1.7
73.02931	3.3
79.05515	3.8
81.03429	1.7
81.07062	6.5
83.08644	1.4
83.44432	0.6
85.02921	4.7
91.03969	2.5
91.05508	1.6
93.07066	4.6
93.11156	0.7
95.08619	3.3
97.02904	4.0
97.06551	1.1
98.20705	1.7
101.02413	1.6
105.07040	1.7
107.08652	2.0
108.67751	0.6
109.02886	0.9
109.10201	1.1
110.96815	0.7
111.08082	0.7
115.03901	0.8
117.07055	1.1
119.08611	1.7
121.10165	1.6
126.92320	0.6
127.03951	1.3
127.21975	0.6
131.08571	0.6
133.10164	0.9
149.13338	1.2
159.11754	0.6
181.73759	0.6
185.04330	0.7
185.07635	0.7
193.62183	0.7
235.13126	1.5
243.08566	1.7
302.49619	0.8
314.41132	0.7
344.13889	0.8
422.93396	0.7
453.20966	4.2
519.29498	6.3
548.83679	0.8
701.78320	0.7
731.43445	100.0
732.43622	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	732.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.0
55.05514	3.7
57.03439	3.6
57.07073	1.0
59.04995	0.4
59.13317	0.5
67.05500	2.4
69.03413	1.8
69.07072	6.1
70.06567	1.0
70.71690	1.0
70.72037	0.5
71.04994	12.9
71.08616	0.6
72.08134	0.7
73.02876	1.3
75.04490	1.0
79.05490	3.4
81.03392	0.5
81.05773	0.7
81.07050	4.3
82.06584	2.1
82.11591	0.4
83.05004	2.1
83.08620	3.2
84.08130	1.4
85.02907	17.5
85.06509	1.0
86.05583	0.8
86.06073	13.0
86.09690	0.8
87.04473	0.8
91.05484	1.2
93.07046	4.0
95.04967	0.6
95.08611	2.4
96.07557	0.7
96.08131	9.6
97.02868	1.8
97.06509	0.7
97.10171	0.7
98.06044	2.9
98.09690	1.4
99.04456	3.7
105.06988	0.5
107.08589	4.2
108.08128	2.1
109.02895	0.6
109.06510	1.9
109.10117	1.6
110.09680	3.9
111.04452	1.1
111.08090	0.8
112.07623	0.7
114.09160	1.2
116.10734	5.7
121.08864	0.5
121.10138	1.5
122.09647	1.2
123.08038	0.6
123.11723	0.5
124.07584	2.6
124.11232	2.5
126.09144	0.8
127.03922	0.5
129.05470	4.2
133.10123	0.5
134.09624	0.7
136.11220	0.9
138.09094	0.5
139.09933	0.4
142.08644	13.3
147.06540	1.1
149.13261	3.0
151.11150	2.5
152.10696	1.0
152.14343	0.9
154.12251	2.4
164.14398	0.5
165.09087	0.6
166.15927	9.8
167.14270	0.6
169.12241	5.0
171.11525	0.6
176.14359	0.6
194.15456	2.8
210.18439	2.4
212.16463	78.3
213.16792	1.5
238.18021	41.0
239.18332	0.5
256.19083	100.0
257.17267	4.2
257.19513	1.1
310.23883	0.9
328.24847	0.6
332.27002	0.4
345.24161	0.6
358.22223	1.3
363.25278	1.9
364.24875	0.8
374.21756	1.3
406.29510	4.0
418.24295	1.0
424.30569	70.0
425.30743	2.7
492.78149	0.5
496.80206	0.5
520.27850	2.1
540.67889	0.5
564.30341	0.9
586.35876	4.3
732.29803	0.6
732.41656	11.9
759.60437	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.5
55.01875	1.7
55.05271	0.9
55.05518	16.5
57.03228	0.8
57.03443	9.6
57.07070	2.2
59.73654	0.9
61.02924	3.7
64.52557	0.8
65.03934	2.0
67.05511	59.1
67.38245	0.8
69.03438	2.6
69.07077	15.2
70.17278	2.4
70.17621	1.6
71.04982	3.3
73.02907	1.4
79.05500	39.2
81.03416	3.2
81.07064	100.0
83.04985	4.0
83.08633	8.1
85.02898	4.0
85.06551	3.2
91.04963	1.7
91.05491	22.4
93.07055	46.9
95.04980	4.8
95.08618	33.3
95.09234	1.5
97.02921	6.5
97.06526	6.0
97.10154	2.3
105.04492	1.1
105.07039	15.1
107.08603	26.2
109.06511	2.7
109.10161	11.8
111.08080	3.4
117.07016	9.0
119.08594	9.8
121.06517	1.3
121.10153	16.0
123.08051	1.5
123.11751	5.4
131.08577	11.2
133.10139	13.4
135.08080	2.6
135.11705	13.4
137.13254	7.4
139.11156	0.8
143.08533	1.1
145.10149	4.7
147.11740	4.4
149.13268	10.9
151.11139	1.7
155.08553	1.4
157.10092	1.5
159.11723	8.1
161.13293	2.8
171.11726	1.4
173.13272	3.6
175.14856	1.1
177.12724	2.5
185.13336	1.1
187.13351	1.0
187.14871	3.1
195.13824	10.5
213.14822	2.1
233.22638	1.0
243.16011	1.9
243.21078	4.0
252.97357	1.1
261.22174	7.9
267.15988	1.8
269.17502	64.5
277.21942	1.2
287.23831	1.0
291.23434	0.9
317.24777	2.2
333.24097	1.1
335.25815	62.9
336.26117	1.7
357.23978	1.0
375.25421	6.5
437.34274	2.3
440.80200	0.9
467.85138	0.9
511.37698	1.8
529.38947	70.0
530.39246	3.5
547.40204	2.0
713.98364	1.1
714.29474	1.2
746.64667	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.5
55.01870	7.2
55.05516	11.8
57.03433	8.9
61.52534	2.2
63.25615	2.4
64.02834	2.1
64.24798	2.3
67.05511	41.8
69.03432	4.5
69.07068	10.1
71.05002	3.7
79.05501	23.6
81.03426	7.0
81.07067	42.5
83.04984	8.6
83.08636	5.0
85.02891	3.4
85.06541	3.4
85.79259	2.2
91.05490	27.6
93.07059	30.8
95.04984	5.4
95.08615	22.1
97.02895	3.3
105.07040	25.8
107.08604	21.8
109.06516	4.8
109.10172	39.8
117.07043	4.1
119.08588	9.7
120.24955	2.1
120.33910	2.4
121.10135	10.6
123.11715	7.4
127.20865	2.0
127.62579	2.3
131.08603	6.9
133.10144	52.9
135.11673	5.9
145.10136	3.0
149.13235	4.8
151.11185	18.9
161.13261	3.1
169.12318	3.9
184.07402	4.1
189.39265	2.7
215.12679	3.1
224.34442	2.6
228.68936	2.6
243.21240	2.4
253.14372	100.0
254.14801	4.2
261.22186	10.0
271.15436	25.6
335.25839	42.0
406.62000	3.0
513.35669	4.0
531.29517	4.5
531.36914	44.9
598.54883	2.4
605.52002	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	725.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33802	0.7
55.05502	0.9
59.48801	0.7
67.05508	1.1
69.05386	0.7
69.07044	0.7
69.58438	1.7
69.58855	2.9
79.05492	1.1
91.05499	1.5
93.07072	1.9
95.08621	1.0
96.63394	0.6
123.85637	0.7
177.82379	0.7
203.05312	1.3
259.07956	1.7
322.57407	0.7
327.21646	0.8
347.09705	0.9
365.10385	3.5
421.13321	2.1
546.50000	0.7
563.31879	13.2
725.37177	100.0
726.37115	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.2
55.01872	1.4
55.05517	16.7
55.71118	1.1
57.03442	15.4
57.07073	2.1
61.02921	3.9
65.03947	3.6
67.05511	68.6
69.07071	19.6
70.01463	4.8
71.04996	5.5
73.02903	1.4
79.05502	42.4
79.05965	2.2
81.03436	2.1
81.07064	84.8
83.05011	5.1
83.08609	12.4
85.02886	2.7
85.06563	3.6
91.05493	24.7
91.06081	1.5
93.07052	67.4
95.05001	5.5
95.08611	36.9
97.02896	3.3
97.06532	10.2
97.10199	2.4
99.08073	2.5
105.07041	11.3
107.08607	32.5
108.24223	1.0
108.70057	1.2
109.06524	1.8
109.10158	12.1
111.08088	5.4
111.11668	1.1
111.94987	1.2
113.09641	1.2
117.07012	7.9
119.08597	9.2
121.06547	1.2
121.10153	24.4
121.11010	1.5
122.87613	1.0
123.11708	4.2
125.09647	1.2
127.19355	1.2
129.07027	1.3
131.08585	12.7
131.32751	1.0
133.10153	10.1
135.08122	1.6
135.11713	11.4
145.10170	4.4
147.11652	5.3
149.13272	27.1
159.11708	11.2
161.13193	2.2
173.13330	3.4
177.12787	3.9
187.14787	1.4
195.13818	8.3
213.14851	2.3
234.95045	1.1
243.21082	3.4
248.07840	1.1
261.22202	8.4
267.16071	1.9
269.17493	100.0
270.17880	3.8
281.78555	1.1
283.84259	1.1
293.14307	1.1
299.48697	1.1
305.93674	1.3
317.24844	2.6
335.25818	63.9
336.26108	2.9
424.64456	1.1
437.34177	1.4
529.38928	88.8
530.39117	6.6
547.39886	1.7
726.44281	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	725.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76671	0.3
57.97154	0.3
59.80154	0.2
71.04975	0.8
94.06605	0.3
95.04992	0.5
98.77799	0.3
110.06041	0.6
111.04447	0.7
113.05984	0.9
120.89601	0.3
121.02861	0.9
134.06001	0.8
138.05527	0.7
141.33464	0.2
144.08072	0.4
152.03352	0.3
156.06580	1.5
160.03993	0.5
162.05510	4.9
170.08339	0.4
170.09668	0.5
171.09186	0.8
172.07623	0.5
178.04991	1.5
180.06564	0.4
180.08063	0.4
182.09679	0.7
184.06075	2.5
184.07635	0.8
184.11261	0.5
185.07097	0.4
185.10786	0.4
187.04991	0.8
188.07033	0.5
197.07135	0.9
197.10730	0.5
198.09209	1.3
199.08743	1.8
199.12268	0.4
200.07100	0.8
200.10736	0.5
201.10258	0.4
202.04872	0.3
205.05974	0.3
206.04526	0.4
208.07536	0.3
209.07025	0.4
209.10703	0.3
210.09169	0.8
211.08665	0.4
212.09395	0.5
213.06488	0.6
213.10239	0.6
215.08148	0.5
222.07809	0.3
225.06616	1.7
225.10188	1.7
226.04947	0.8
226.08659	2.5
227.08189	3.6
227.11737	1.4
228.06505	1.0
228.10342	0.4
229.09641	0.5
230.08075	0.5
232.09753	0.4
239.08185	0.5
240.08940	0.5
243.07654	1.2
243.11366	0.9
244.06100	0.6
244.09711	0.8
246.07678	0.7
253.09764	3.8
254.08121	3.3
254.10562	0.5
255.07700	2.8
255.11311	2.3
255.57367	0.3
256.05951	0.5
256.09766	0.6
258.07419	0.3
271.10825	4.8
272.05518	0.8
272.08929	1.3
273.08990	0.3
273.12384	0.9
281.09198	2.0
282.07654	1.1
284.07950	0.6
290.06717	0.7
299.10278	20.1
300.08627	7.7
301.11890	2.2
307.36536	0.3
317.11316	14.0
319.13025	0.6
327.09784	6.6
328.08151	8.9
329.08508	0.4
345.10822	21.9
346.11139	0.5
363.11868	100.0
364.12213	3.1
417.11960	1.1
445.54465	0.3
473.81833	0.3
517.88281	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.5
55.01868	7.6
55.05503	3.6
57.03444	3.6
61.02926	0.9
65.03941	1.1
67.05165	1.4
67.05506	18.8
67.84676	0.8
69.03427	1.5
69.07066	3.4
69.56818	6.0
71.04981	1.4
73.77921	0.7
79.05506	9.9
81.03410	3.5
81.07058	11.3
83.04484	1.1
83.04984	22.3
83.08613	3.0
85.02898	3.1
85.06539	1.5
91.05478	7.7
91.76855	0.7
93.07048	13.0
95.04958	3.1
95.08617	5.3
97.02892	1.1
97.06517	6.6
97.10165	1.0
99.04434	4.1
99.08120	1.8
101.02351	1.4
105.07010	2.8
107.04944	2.9
107.08598	9.4
109.02885	1.2
109.06503	1.1
109.10150	11.2
111.04447	48.7
111.08079	12.8
117.07013	3.3
119.08570	5.7
121.06508	1.5
121.10144	11.0
123.08092	0.8
125.05996	2.3
127.03898	0.9
129.07048	1.6
131.08546	6.3
133.10138	1.8
135.08069	1.3
135.11694	18.2
145.10118	13.6
147.08022	0.9
147.11734	3.7
149.09616	4.2
151.07558	0.9
153.12752	27.3
154.13130	0.8
155.08556	1.5
163.11188	34.8
165.09163	1.6
165.12822	0.8
167.07089	1.0
167.77821	0.8
173.09598	8.5
181.12242	39.2
191.08923	1.3
191.10677	28.2
193.12321	1.9
209.11732	7.4
211.13422	0.9
227.12798	29.8
228.13156	1.1
267.15933	1.2
283.15408	100.0
284.15674	2.0
301.16464	23.5
459.27325	1.5
477.28311	1.4
491.26236	1.7
495.29483	1.2
509.27490	72.1
510.27948	4.0
527.28528	29.6
528.28265	1.7
678.42236	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.5
55.01885	3.7
55.05510	7.0
57.07077	5.8
67.05513	16.0
69.03424	7.7
69.07079	14.3
70.05000	5.0
70.05397	7.1
71.05007	4.9
73.02917	3.6
79.05486	13.6
81.03411	11.2
81.07070	35.2
83.08605	6.8
85.02885	12.0
85.06579	2.8
87.00807	7.8
91.05495	13.9
93.07042	24.5
95.04980	3.1
95.08619	38.9
97.02911	6.6
97.06509	5.8
97.10143	5.1
99.04440	8.4
105.01859	3.4
105.07047	35.1
105.13844	3.0
107.08594	35.8
109.02896	3.8
109.06503	3.9
109.10172	16.6
110.07173	4.1
117.07011	5.7
119.08575	26.7
121.06529	4.1
121.10152	59.7
123.08108	4.7
123.11720	38.2
127.03909	10.1
129.06940	3.4
131.08580	10.6
133.10167	22.7
135.08041	5.6
135.11679	17.3
137.09692	3.5
137.13240	9.4
139.11171	4.3
143.08495	3.6
145.04956	3.6
145.10138	8.8
147.11694	32.4
149.09602	5.3
149.13263	17.1
157.10158	8.4
159.02956	3.6
159.11691	13.8
161.09637	3.7
161.13229	13.3
163.14775	8.2
165.12740	4.4
167.07077	9.6
171.11700	6.8
173.13243	6.6
175.11009	3.9
175.14824	13.5
182.31082	3.2
185.13225	5.3
187.14818	10.7
189.16391	9.3
191.17955	3.9
193.42500	3.0
199.14813	4.0
201.16307	5.3
205.19501	5.2
209.34901	3.1
215.17999	4.4
217.16064	3.2
217.19614	4.3
241.19350	3.7
241.68256	4.1
257.22623	5.4
283.24240	4.9
285.21997	5.2
291.19681	3.3
301.25366	4.9
321.24246	13.2
411.36307	3.9
421.34570	10.0
439.35779	100.0
457.36905	34.7
543.32910	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	722.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.2
55.05512	14.7
57.03419	5.2
57.07073	7.6
61.02638	2.0
61.02929	27.2
65.03933	1.4
67.05507	65.9
69.03416	4.8
69.06770	1.9
69.07076	17.7
69.31125	7.9
69.31554	6.0
71.04985	1.9
71.08622	4.5
73.02924	9.1
77.03912	1.8
79.05497	39.4
81.03413	3.4
81.07061	70.1
83.04946	2.2
83.08629	12.8
85.02417	2.3
85.02907	31.7
85.06550	3.0
87.26852	1.5
88.30056	1.5
91.03963	30.1
91.05485	24.2
93.06470	3.1
93.07050	57.4
95.04955	5.0
95.08612	67.1
97.02902	15.6
97.06519	3.6
97.10143	5.7
99.04465	2.3
99.08122	2.2
105.07043	17.8
107.08603	37.4
109.06510	1.9
109.10171	26.9
111.11736	2.2
113.09628	3.0
115.03989	1.4
117.07008	7.7
119.08579	12.8
120.58998	1.5
121.09310	2.9
121.10145	42.5
123.11716	13.1
127.03892	9.9
131.08582	22.0
133.10129	12.3
134.10564	1.5
134.36060	1.5
135.11708	25.6
137.09644	1.9
137.13235	6.7
145.04968	16.5
145.10135	14.3
147.11710	6.9
149.13274	10.7
159.11708	11.4
161.13246	7.4
163.06024	19.1
163.14795	10.5
165.12759	1.8
165.16331	4.1
173.13242	13.1
175.14850	7.1
177.12793	3.7
177.16402	13.8
179.17937	1.6
180.48956	1.4
184.07268	2.1
187.14789	9.8
189.16428	6.7
191.14299	2.7
191.18001	10.9
193.15839	3.5
201.16396	6.2
205.15923	3.7
205.19537	6.4
207.17421	2.3
215.17917	3.7
219.17441	1.8
229.19594	2.2
261.25806	2.5
266.98401	1.4
271.24231	42.0
272.24506	2.1
289.25272	100.0
290.25690	2.8
307.26508	2.5
328.50769	1.6
345.28412	1.6
363.28986	17.6
381.29996	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	722.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20241	1.0
61.03685	1.1
69.26669	1.4
69.27071	10.2
84.96845	1.1
85.02921	1.1
91.05463	1.9
96.22031	1.1
96.73498	1.0
98.21481	2.5
99.52139	1.4
116.81179	1.1
118.80687	1.0
119.04944	2.6
133.06529	1.5
144.88425	1.2
147.04446	2.2
153.42052	1.2
169.37895	1.4
189.35461	1.1
199.12308	2.2
218.10574	3.3
219.11304	4.5
237.12683	2.1
241.13368	1.5
243.11389	2.0
251.14224	1.9
258.13715	11.7
259.14435	26.7
265.15829	3.3
278.12869	3.2
292.14478	2.6
293.18851	2.5
303.05017	1.4
306.16171	1.5
307.16830	1.6
310.15613	5.7
321.18539	2.6
322.15408	4.4
323.16220	2.8
324.17038	9.7
335.16443	1.6
336.13354	3.1
336.17172	4.1
337.18362	1.1
338.15024	1.9
338.18820	3.1
341.13690	1.6
350.14957	3.8
351.15765	13.3
352.16336	3.9
352.20242	15.3
354.18243	6.6
354.21817	1.4
364.12808	2.5
364.16675	2.1
364.20529	1.9
365.17355	1.5
366.21991	5.7
380.19696	91.2
381.19986	4.2
382.17340	5.5
382.21268	24.7
383.18060	1.3
384.15430	12.1
392.19754	1.7
394.21301	1.8
396.19257	12.0
397.16165	3.0
398.17090	15.7
399.17975	3.6
408.19049	2.8
410.20822	35.2
411.21194	2.4
412.22388	7.1
426.20163	10.5
427.17160	10.4
428.18054	8.0
438.19678	1.5
441.18802	6.9
456.21332	14.8
604.25739	1.5
634.27600	94.2
635.28094	5.7
678.26593	100.0
679.26770	5.1
722.25500	9.5
722.58331	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44338	0.8
53.48927	0.7
69.42363	6.5
72.08306	0.7
75.97391	0.8
80.03716	0.8
80.60298	0.7
91.05475	1.3
95.42403	0.7
98.21458	1.7
105.07072	0.8
119.04976	1.0
119.47224	0.8
133.06532	1.4
147.04395	3.6
165.73132	0.8
199.12328	3.0
200.13133	1.1
218.10486	3.8
219.11250	3.7
237.12675	1.2
241.13438	2.9
243.11258	2.9
245.12778	1.3
251.14203	1.9
258.13721	11.1
259.11688	1.4
259.14426	24.6
264.15057	0.8
265.15823	2.3
278.12930	2.2
278.16180	1.2
279.13904	0.8
279.17188	1.5
290.28598	0.8
292.14368	1.7
292.18051	0.9
293.18811	3.5
296.14044	1.5
303.05182	1.2
306.16168	1.5
307.16885	1.3
308.13889	0.9
310.15399	7.4
320.17560	1.4
321.18314	2.6
322.15536	4.1
323.16501	3.9
324.17081	10.0
334.19205	1.6
335.16394	1.9
336.13422	1.8
336.17068	3.3
337.17926	1.8
338.15018	1.6
338.18686	2.2
341.13672	1.9
347.16333	0.8
350.14935	4.1
351.15811	11.4
351.19611	1.5
352.16376	4.7
352.20206	15.8
353.13623	1.0
354.18335	6.2
362.18768	1.7
364.16415	2.0
364.20422	1.6
365.17639	3.5
366.21808	5.8
380.19720	94.8
381.20401	3.7
382.17374	5.1
382.21268	22.2
384.15457	10.8
394.21158	1.3
396.19308	11.5
397.16534	2.5
398.17160	12.5
399.17984	4.6
408.19064	1.8
410.15265	1.6
410.20795	34.2
411.20746	1.3
412.22296	7.4
413.18710	1.5
426.20294	8.9
427.17401	12.8
428.18069	6.8
438.20325	1.9
441.19022	8.0
442.19522	1.7
456.21274	14.4
604.26282	1.6
634.27637	89.0
635.28192	4.9
648.25037	1.0
660.25824	1.2
678.26617	100.0
679.26788	6.0
722.25696	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	721.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	7.7
53.91321	1.3
55.01872	2.7
55.05294	1.9
55.05517	18.4
55.91664	1.3
57.03448	8.2
57.07074	1.9
58.93430	1.2
60.90858	1.3
64.88333	1.5
65.03933	5.1
67.05510	59.9
67.39517	1.6
69.03423	2.5
69.07074	15.2
71.04987	2.0
71.30756	3.1
73.06583	1.5
74.60630	1.5
79.05499	57.5
79.05962	2.8
81.03432	6.0
81.07063	54.1
83.04984	8.6
83.08627	6.0
85.02895	2.3
85.06534	2.6
91.05493	42.4
93.07054	54.2
95.04990	14.0
95.08052	2.2
95.08614	35.2
97.02876	1.6
97.06518	4.5
97.10194	3.3
98.20674	1.5
99.08129	1.7
105.07042	32.2
107.04950	5.1
107.08598	23.7
109.06518	5.1
109.10167	12.4
115.05518	1.9
117.06297	1.4
117.07037	9.4
119.08590	20.4
121.06552	2.1
121.10162	13.1
123.08084	3.5
123.11740	3.7
127.07545	1.5
129.07034	8.7
131.08592	7.0
133.10153	13.7
133.70789	1.6
135.11678	7.7
143.08568	8.2
145.10141	9.2
147.04425	9.1
147.11694	23.0
149.13271	3.5
159.11731	3.1
161.09639	2.6
161.13239	7.6
171.11678	14.7
173.13321	1.8
184.07310	2.2
189.12778	6.3
207.13829	18.9
233.87373	1.7
246.15594	1.5
261.22281	7.1
279.15659	2.1
281.17505	34.6
317.24701	1.5
335.25803	57.0
336.26175	2.6
357.66241	1.5
449.34177	2.2
541.38947	100.0
542.39185	5.8
721.41028	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	722.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
70.62303	1.6
80.17253	0.7
91.05488	2.8
98.21414	0.9
105.07021	3.8
114.86499	0.7
119.04919	4.9
120.35654	0.8
121.06524	2.7
133.06500	13.9
136.59555	0.8
147.04408	12.1
161.05984	3.3
179.07051	3.3
184.10056	0.9
185.10724	1.5
186.11604	0.9
199.12289	5.2
200.13054	4.7
201.10316	1.1
218.10580	1.6
219.11299	1.4
237.12619	1.0
241.13367	10.8
243.11322	3.8
244.12355	0.9
258.13669	4.6
259.14432	81.6
260.14676	1.9
278.12952	1.3
278.16541	0.7
279.17181	1.3
284.13989	2.1
292.14499	2.2
292.18073	2.7
293.18881	3.7
296.13968	1.2
306.16144	1.0
307.16721	1.4
320.17584	6.1
321.18317	6.5
322.15524	4.6
322.18967	1.4
323.16571	1.1
334.18973	2.1
336.13666	3.8
336.16666	3.5
338.18668	1.5
350.15015	10.1
351.15753	3.1
352.16470	1.4
352.20172	15.2
361.15140	0.8
362.18549	4.2
364.16492	6.9
364.20221	1.2
365.17328	10.1
366.18039	4.8
367.18839	1.4
372.55142	0.7
378.18243	2.1
379.18665	1.2
380.19702	100.0
381.20111	5.4
382.21249	33.3
383.21732	1.2
393.16788	2.8
395.14578	0.9
397.15787	0.9
398.20911	2.3
410.20865	1.8
411.18063	1.9
420.52692	0.8
424.18982	1.4
425.19504	9.5
426.20239	94.7
427.20590	2.8
456.21201	1.1
552.94159	0.8
590.25336	1.1
604.26526	51.2
605.26715	2.8
634.27612	77.8
635.27679	4.9
648.25531	35.5
649.25684	2.5
678.26575	43.3
679.26770	3.1
692.24152	2.6
722.25220	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	721.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.7
55.01873	1.8
55.05510	8.5
56.02522	0.9
57.03449	6.2
57.07075	2.4
65.03924	1.2
67.05508	22.0
69.03420	2.2
69.07073	5.5
71.08632	1.8
79.05495	33.2
81.03429	8.2
81.07063	20.1
83.04990	6.4
83.08621	3.1
85.02912	3.0
85.06536	1.5
91.05487	25.5
93.07050	29.9
95.04972	7.4
95.08617	14.5
97.02893	1.9
97.06532	2.9
97.10167	1.5
105.07036	19.5
107.04942	3.7
107.08619	9.2
109.02877	2.1
109.06536	2.1
109.10179	3.5
109.61780	1.1
117.07037	3.9
119.08594	13.1
121.06550	1.2
121.10139	3.5
123.08089	2.4
123.11736	1.3
127.03907	2.8
129.07011	6.8
131.08565	3.1
133.06512	1.3
133.10165	5.2
135.11732	2.2
143.08594	4.5
145.10141	5.5
147.08046	1.7
147.11674	16.4
157.10071	2.0
159.11737	1.2
161.09650	3.1
161.13243	4.7
162.76866	0.9
169.10210	1.7
171.11713	10.7
189.12804	4.7
193.12302	1.1
207.13809	14.0
211.13412	2.1
261.22198	1.1
281.17496	100.0
282.17868	2.2
285.17215	1.0
313.27347	2.7
314.27789	2.8
335.25931	1.2
423.27435	1.2
466.17725	1.1
523.40112	1.7
524.40125	4.4
539.65735	1.0
562.78369	1.1
721.38934	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	721.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78343	1.6
53.03952	10.0
55.01889	1.9
55.05517	23.2
57.03446	11.8
57.07085	2.0
57.20108	1.6
65.03928	4.4
66.05956	1.9
67.05510	72.6
69.07073	16.3
70.70042	3.9
70.70386	2.7
71.04989	2.4
73.06557	1.8
77.03975	2.3
79.05501	77.7
81.03416	7.9
81.07064	58.2
83.05003	9.4
83.08603	8.8
85.06559	2.9
85.60693	1.8
88.65523	1.9
91.05489	61.2
93.07057	81.2
95.04981	19.6
95.08047	3.3
95.08612	39.2
97.06519	6.2
97.10128	3.6
97.34776	1.8
98.78023	1.9
105.04487	2.5
105.06383	3.2
105.07043	41.0
107.04941	7.7
107.08594	23.8
109.06517	5.8
109.10177	15.5
117.07030	9.8
119.08597	22.3
121.10131	14.1
123.08052	3.3
123.11698	2.3
128.06232	2.8
129.07039	13.4
131.08546	6.6
133.10130	12.0
135.11678	7.6
136.42361	1.7
143.08571	11.5
145.10144	13.8
147.11699	35.7
149.09628	2.1
149.13309	3.1
159.11778	2.8
161.09602	3.7
161.13251	11.6
171.11725	22.8
173.13286	1.9
189.12782	7.4
207.13835	29.7
211.39137	2.0
261.22137	7.1
279.15945	2.8
281.17511	70.2
282.17758	1.8
317.24783	3.0
335.25815	62.1
420.13803	1.7
467.35114	2.1
541.38922	100.0
542.38770	4.4
624.34998	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	720.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	5.4
55.05504	14.0
55.64768	4.1
57.03432	12.8
57.07074	4.0
61.02928	28.9
67.05166	6.2
67.05508	90.5
69.03423	11.9
69.07052	14.0
69.45620	16.4
69.46043	14.8
71.04984	4.4
73.02912	7.5
75.04481	4.8
79.05499	58.7
81.03426	9.3
81.07063	100.0
83.04967	5.2
83.08610	5.7
85.02917	38.2
85.06547	10.6
91.03977	25.7
91.05496	47.7
93.05503	9.1
93.07053	59.3
95.04986	5.7
95.08609	71.4
96.08868	3.6
97.02880	15.9
97.06564	6.0
99.04449	4.2
105.07042	39.3
107.08594	29.6
109.02786	4.8
109.10152	33.3
111.08072	5.0
117.06988	13.6
119.08590	30.5
121.10167	43.8
123.11713	29.3
127.03912	14.5
129.07014	10.2
131.08554	34.5
133.10139	28.5
135.08086	8.7
135.11707	23.1
137.13258	9.3
143.08511	7.0
145.04965	7.4
145.10141	27.5
147.11699	22.8
149.09637	9.9
149.13235	13.4
151.11226	8.0
157.10092	7.8
159.11688	13.7
161.09590	6.0
161.13289	10.2
163.06021	21.9
163.11168	17.5
163.14825	8.0
165.12712	10.3
171.11702	11.1
173.13260	14.7
175.14828	5.9
177.12787	9.5
177.16454	6.3
185.13223	9.8
187.14850	11.7
189.16249	4.3
199.14828	10.4
201.16393	4.3
203.17931	18.3
210.64124	4.3
213.16447	6.0
237.14780	6.3
243.21237	4.5
269.22656	34.1
287.23666	38.3
305.24637	8.6
361.27399	11.7
379.28448	12.8
431.27759	4.5
462.94937	4.4
523.32123	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	720.4895
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22954	1.3
53.03944	4.1
55.05519	12.2
57.03444	14.6
57.06817	2.9
57.07079	30.4
58.83534	1.4
61.02933	2.8
67.05510	28.0
69.01170	1.5
69.03432	5.4
69.07066	12.6
71.05001	3.8
71.08633	20.3
79.05498	18.1
81.03423	45.3
81.07066	32.9
83.04981	12.2
83.08624	23.0
85.02917	19.9
85.06553	2.6
85.10178	8.7
89.06045	2.1
91.03974	1.4
91.05486	22.1
93.07053	14.5
95.04971	18.0
95.08607	25.7
97.02885	3.9
97.10184	7.2
98.21512	3.5
99.08137	1.5
105.07034	17.2
107.04972	5.2
107.08611	5.5
109.06520	3.1
109.10165	13.5
111.04470	1.5
111.08094	7.3
111.11684	1.5
112.53511	1.3
113.06049	1.9
117.07016	2.2
119.08579	12.4
121.06561	1.8
121.10149	6.1
123.11714	6.2
129.07007	7.0
131.08591	7.2
133.06511	2.9
133.10159	6.6
135.11743	3.4
137.13261	2.1
142.07756	2.4
144.82060	1.5
145.10153	2.1
147.08096	2.7
147.11702	14.1
149.09651	4.5
157.10095	8.0
165.12756	2.7
173.11951	1.7
175.11220	10.8
193.12262	33.3
211.13312	54.7
235.31415	1.5
267.15918	15.7
276.51468	1.4
285.16971	66.8
287.18823	2.2
311.25970	2.0
313.27380	75.1
314.27637	2.9
465.35870	7.3
505.39078	12.8
523.39966	100.0
524.40033	2.6
541.39050	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02888	1.8
53.03945	4.4
53.83294	1.8
55.01849	2.2
55.05508	17.4
56.39994	2.0
57.03437	3.6
57.07072	11.5
61.02929	47.0
67.05507	58.1
69.03431	9.1
69.07079	13.8
71.04996	3.6
71.08635	5.5
71.56754	1.9
72.23397	2.5
73.02927	17.7
78.52186	1.9
79.05499	38.8
81.03414	3.4
81.07061	46.5
83.04965	3.3
83.08617	7.1
85.02904	42.3
85.06542	11.7
85.10179	2.8
87.04468	2.5
91.03966	39.7
91.05486	71.7
92.05817	2.3
93.07053	43.4
95.04973	4.7
95.08617	40.2
95.25883	2.2
97.02899	23.7
97.06525	4.9
97.10164	3.1
99.04472	5.0
99.08095	3.6
105.07042	53.0
107.04984	3.0
107.08593	23.7
109.02943	2.2
109.10150	14.9
111.08100	4.8
115.03900	3.1
117.07005	23.7
119.08592	48.5
121.10172	35.8
121.74901	2.6
123.08067	4.0
123.11731	5.9
125.09641	3.2
127.03934	15.7
128.06247	2.9
129.07027	19.7
131.08566	36.4
133.10133	38.2
135.08058	12.1
135.11745	15.9
137.09604	2.7
137.13249	5.9
142.07809	3.5
143.08557	24.6
145.04973	16.6
145.10136	26.3
147.11705	22.2
149.09631	15.8
149.13289	7.2
157.10136	23.0
159.11717	7.2
161.09604	10.3
161.13217	14.8
163.06029	27.7
163.11212	8.2
163.14825	7.6
171.11719	28.9
173.13283	6.9
175.11203	9.9
175.14830	19.4
177.16422	6.6
185.13223	19.3
187.14847	10.1
189.12721	8.4
189.14853	2.7
189.16393	15.2
191.17941	6.7
199.14828	13.2
201.16397	10.2
203.14287	8.7
203.17969	38.2
205.15894	5.0
213.16370	7.5
215.18016	3.3
227.17952	5.4
241.19513	6.3
243.21133	5.6
245.22745	11.2
259.20691	5.3
259.24158	10.6
269.22650	62.1
287.23715	100.0
288.24017	3.2
361.27496	4.9
379.28439	41.1
410.35345	2.5
453.84909	2.8
461.80481	2.1
528.86224	2.2
542.47430	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	720.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39696	1.4
55.01868	3.9
55.05519	16.7
57.03440	7.9
57.07087	12.8
61.02639	2.4
61.02934	38.3
61.03246	1.9
65.03929	2.4
67.05511	67.2
67.05873	3.6
69.03433	5.7
69.07074	20.1
69.58971	8.2
69.59378	2.4
71.05002	3.3
71.08640	5.8
73.02914	14.9
75.04472	2.2
75.97614	1.7
79.05497	55.4
81.03436	2.3
81.07066	71.0
83.04991	4.6
83.08627	10.0
85.02913	48.7
85.03427	2.5
85.06546	9.7
85.10188	3.7
87.33556	1.8
89.57243	1.6
91.03967	36.7
91.05488	74.3
93.07054	68.0
95.04978	6.2
95.08620	45.0
95.09237	2.7
97.02898	22.5
97.06547	5.8
97.10177	2.8
98.20779	3.4
99.04458	3.8
99.08099	1.6
101.06037	2.0
105.07041	71.2
107.04972	2.5
107.08603	34.2
109.10155	19.1
109.10680	1.4
111.08097	3.1
112.59184	1.6
115.03932	2.4
115.05515	2.4
117.07034	27.6
119.08587	53.2
121.06522	3.4
121.10158	44.5
123.08101	3.9
123.11721	7.3
125.09640	4.5
127.03924	13.0
128.06203	3.6
129.05502	5.4
129.07008	20.8
130.84273	1.7
131.07590	2.1
131.08583	38.6
133.10141	43.4
135.08064	9.2
135.11685	19.8
137.09608	3.2
137.13292	8.8
142.07819	3.7
143.08575	18.8
145.04967	16.9
145.10138	26.6
147.08031	3.5
147.11691	24.3
147.12779	2.2
149.09624	15.6
149.13274	8.0
151.11121	1.7
151.14822	6.3
153.09166	2.7
157.10144	19.5
159.11694	11.6
160.12088	1.7
161.09642	11.0
161.13255	15.6
163.06033	26.8
163.11195	4.7
163.14877	7.6
165.12901	2.5
169.10182	1.8
171.11719	27.3
173.13220	8.7
175.11220	7.8
175.14839	18.0
177.16440	10.3
185.13292	23.1
187.14761	11.1
189.12720	7.6
189.16374	19.8
191.17969	7.0
199.14844	12.6
201.16417	8.4
203.14381	8.5
203.17963	37.0
203.19733	2.7
205.15973	3.1
211.60756	1.5
213.16466	5.7
215.17989	3.2
217.15932	4.4
221.15504	3.0
223.13290	4.1
227.17926	5.3
231.17528	2.4
241.19487	3.1
243.21127	7.9
245.22662	14.8
259.20667	7.2
259.24179	9.4
269.22662	69.0
270.22986	2.2
287.23715	100.0
291.19592	2.1
305.24747	14.6
314.20331	1.6
361.27402	16.8
379.28488	46.9
418.04443	1.7
492.28101	1.9
523.32605	7.2
537.14661	1.6
566.90833	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.4
53.65256	0.5
55.01880	3.8
55.05513	9.7
57.03439	12.5
57.07079	23.0
57.07337	1.0
59.04964	2.4
61.02936	4.4
66.41176	0.5
67.05508	11.6
69.03393	0.9
69.07076	6.4
69.57055	1.7
69.57480	1.8
70.69351	0.6
71.01337	0.9
71.05002	3.2
71.08637	16.9
73.02891	1.2
79.04768	0.5
79.05497	10.5
79.06513	0.4
81.03420	7.4
81.07061	16.4
83.01346	6.2
83.04989	7.2
83.08626	13.5
85.02912	5.9
85.06519	1.0
85.10188	9.5
89.06000	1.3
91.03928	1.4
91.04980	0.7
91.05485	7.4
93.07047	15.0
95.04956	3.8
95.08608	15.3
96.45675	0.5
97.02903	3.6
97.06534	3.2
97.10174	4.7
99.04417	1.8
99.08080	0.6
103.07533	0.9
105.07054	5.9
107.04980	4.2
107.07957	0.6
107.08595	7.1
109.06527	4.1
109.10159	5.8
111.04404	1.7
111.08061	0.6
111.11674	0.9
115.59398	0.5
117.07036	3.6
119.08591	5.7
121.06471	1.8
121.10160	4.7
123.08067	5.9
123.11649	1.8
125.05956	1.1
125.09578	0.6
127.03917	0.8
127.17191	0.5
129.06985	1.1
130.07755	0.7
131.08553	2.4
133.10100	1.5
135.08011	1.0
135.11697	7.4
137.09500	1.2
137.13219	0.8
138.23598	0.6
139.14893	0.5
143.08585	0.6
145.06441	0.8
145.10129	8.6
147.07971	0.8
149.09628	0.7
153.12723	1.8
155.08600	1.2
163.11197	15.1
173.09637	1.7
181.12221	1.6
191.10641	1.5
209.11739	4.9
227.12820	3.1
233.76891	0.5
239.23767	1.2
257.24911	0.9
283.15411	100.0
284.15799	2.7
313.27374	80.9
314.27985	2.5
414.61264	0.5
513.53210	0.6
521.38409	51.7
522.38751	2.6
571.84369	0.6
719.43268	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	9.1
54.83862	3.6
55.01868	8.9
55.05512	22.9
57.03424	12.6
57.07073	5.4
57.83450	3.9
61.02927	53.0
65.03954	8.7
67.05508	97.8
69.03425	9.2
69.07071	24.4
71.05002	8.8
71.56318	5.7
73.02906	18.9
75.04443	4.3
75.81001	4.1
79.05496	70.4
81.02661	4.6
81.03416	10.2
81.06582	4.9
81.07064	85.8
83.04968	6.1
83.08622	7.4
85.02907	57.8
85.06531	16.1
91.03965	46.6
91.05487	100.0
93.07055	84.8
95.04958	14.2
95.08614	54.3
97.02895	28.4
97.06519	10.1
99.04462	4.9
103.05476	5.6
105.07042	76.3
107.04984	5.2
107.08602	39.8
109.02868	5.0
109.06511	5.8
109.10175	37.7
115.05466	4.7
117.07027	58.3
119.08585	68.1
121.10130	51.1
123.08079	4.6
123.11694	15.4
127.03916	15.1
128.06241	7.5
129.07027	34.8
131.08575	78.6
133.10138	57.4
135.08110	10.1
135.11679	36.6
141.06993	19.2
143.08574	24.0
145.04951	25.5
145.10126	61.7
147.08017	9.5
147.11674	33.3
149.02361	48.0
149.03459	7.0
149.09645	18.3
149.13280	12.3
155.08560	16.0
157.10124	29.1
159.11710	35.2
161.09663	14.2
161.13295	34.5
163.06079	25.8
163.11189	15.9
163.14792	7.6
169.10126	19.4
171.11676	19.2
173.13272	40.7
175.11247	10.1
175.14809	23.9
177.12645	5.3
183.11739	24.6
185.13199	23.6
187.11111	5.7
187.14822	39.2
189.12738	8.0
189.16360	13.4
193.04970	18.5
197.13260	17.0
199.14781	10.3
201.12686	7.1
201.16426	48.4
203.14288	11.3
203.17955	7.4
204.08633	6.1
211.14803	14.7
213.16325	4.6
215.14267	12.2
217.15933	5.1
225.16418	18.1
229.16081	6.0
239.18117	8.9
243.21159	15.3
257.19061	6.7
257.22607	13.1
267.21103	69.9
285.22119	68.9
300.94275	4.9
303.23209	11.9
359.25693	11.9
377.27090	31.5
385.09097	6.9
403.10208	14.7
429.11688	13.3
471.51163	5.2
473.14496	35.6
521.30707	5.3
685.98816	5.9
718.37646	14.1
719.38538	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.421
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35940	3.9
53.03939	11.9
55.01866	21.7
55.05523	24.7
57.03436	9.5
60.23610	3.7
61.02926	5.3
67.05509	65.8
69.03432	18.4
69.07071	38.2
69.52592	5.1
69.52993	25.2
71.04983	8.4
71.08641	4.2
77.57533	3.7
79.05502	70.8
81.03428	39.1
81.07066	69.3
83.04974	15.3
83.08620	14.7
85.02906	9.2
91.04967	6.2
91.05491	84.7
93.07053	61.1
95.01334	12.0
95.04996	24.1
95.08622	44.6
97.02899	11.5
97.06536	36.1
97.10186	6.5
99.04462	4.9
99.08115	6.2
103.05479	4.6
105.07042	100.0
107.04945	23.1
107.08615	27.5
109.02910	8.5
109.06552	8.5
109.10170	17.2
110.78872	3.8
115.05447	6.1
117.07063	26.7
119.08589	50.3
121.06525	10.6
121.10168	9.4
121.98982	3.6
123.08114	6.9
125.09719	4.2
127.03912	5.4
128.06241	6.3
129.07007	18.1
131.08589	36.9
133.06534	8.0
133.10146	47.4
135.08060	8.0
135.11740	7.6
137.09724	4.1
141.06998	6.6
143.08578	18.2
145.06502	9.2
145.10173	25.2
145.11137	4.3
147.08049	5.0
147.11705	21.1
149.13271	5.8
155.08522	5.8
157.06505	5.1
157.10158	10.0
159.08041	6.7
159.11739	18.8
161.09579	4.4
161.13255	10.9
163.11238	7.6
167.08629	4.0
169.10124	4.7
171.08038	6.1
171.11667	12.8
173.04439	8.0
173.13315	6.1
179.14313	16.3
185.13263	4.6
187.11255	10.5
207.13765	6.6
223.11002	3.6
257.19034	5.4
269.15503	4.9
275.17221	6.7
275.20087	75.9
279.16000	10.6
281.17386	8.3
287.16415	13.4
293.21063	7.2
349.23776	31.8
351.18326	4.6
377.22693	4.2
425.21756	17.2
555.36786	38.5
569.37885	5.9
635.38947	7.5
699.40680	12.6
707.30438	4.9
717.38611	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	717.4189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07400	0.6
55.05506	1.9
57.03434	2.4
57.07080	0.9
61.02925	4.4
66.00298	0.6
67.05511	6.3
69.03432	2.7
69.07082	1.7
69.49979	5.2
73.02929	4.4
75.03514	0.7
79.05493	3.1
81.03416	1.7
81.07058	7.3
83.04995	0.9
83.08629	1.5
85.02911	5.0
91.03962	2.9
91.05490	3.7
93.07021	3.2
95.04989	1.0
95.08630	2.5
97.02898	3.2
99.04517	1.1
101.02396	1.5
105.07054	2.0
107.08603	1.7
109.02875	0.8
109.10188	1.4
115.04012	0.8
117.07025	0.6
119.08614	1.4
121.10172	1.4
123.08099	0.8
123.11724	1.3
127.03946	1.9
129.07005	1.0
133.10141	1.7
135.11725	1.1
143.08553	0.8
143.45367	0.6
147.11722	1.6
154.77533	0.5
184.07198	0.8
243.08510	1.0
247.13104	1.2
275.08627	0.7
281.17743	0.7
309.24286	1.3
348.57162	0.8
418.62119	0.6
465.21313	2.7
493.27768	7.9
717.41846	100.0
718.42102	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	717.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
55.01871	0.9
55.05501	2.1
57.03440	2.3
61.02934	6.0
65.03941	0.4
67.05164	0.6
67.05510	7.4
69.03436	3.5
69.07075	2.2
70.02470	1.4
71.04990	0.8
73.02925	4.2
75.04510	0.5
79.05504	5.6
81.03419	4.8
81.07061	8.0
82.07417	0.5
83.04990	1.6
83.08614	2.2
85.02914	7.4
87.04481	0.5
91.03960	3.1
91.05489	4.7
93.07056	6.7
94.07433	0.5
95.04974	1.6
95.08610	4.2
96.05305	0.4
97.02906	5.4
97.06544	0.5
97.10167	0.4
98.21440	0.4
99.04485	1.3
101.02378	2.2
103.03954	0.6
105.07024	3.7
107.04980	0.9
107.08604	1.7
109.02885	1.0
109.06525	0.7
109.10165	1.9
111.08095	0.6
115.03943	0.4
117.07044	0.8
119.08613	1.9
121.10166	3.0
123.08096	0.6
123.11717	0.6
127.03944	1.7
129.07048	0.5
131.08601	1.6
133.10156	1.6
135.11729	0.9
141.07022	0.5
145.10179	1.6
147.11725	1.1
149.09624	0.6
159.11665	0.7
163.11230	1.1
193.12279	1.4
203.05234	0.4
211.13350	1.6
212.13721	0.6
243.08525	1.1
249.11005	0.8
267.15970	0.8
285.17038	1.4
286.17334	1.2
307.22699	0.9
309.24280	2.7
310.24628	2.5
456.44943	0.4
467.18903	2.9
491.26111	8.3
502.36465	0.5
519.37085	1.6
520.37158	4.6
717.38202	100.0
718.38611	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	715.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88890	1.4
64.65696	1.5
67.05501	3.5
70.19620	4.7
70.20008	3.6
71.70620	1.6
79.05505	4.8
81.03436	1.8
81.07064	8.4
91.05515	3.7
93.07037	1.8
95.04980	2.0
98.97596	2.1
105.07040	2.6
109.06542	2.9
116.95169	1.4
119.08585	2.3
138.21040	1.7
141.07013	1.7
151.29294	1.5
177.00684	1.9
268.02267	1.7
291.19620	4.7
308.99286	1.6
321.04843	2.8
715.32990	100.0
716.33301	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	716.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.7
53.68190	1.3
55.05511	12.9
57.03436	5.5
57.07077	23.5
59.16724	1.4
59.45248	1.4
61.02913	2.2
65.03937	1.6
67.05507	28.9
69.07068	10.5
69.32553	13.0
71.04986	2.1
71.08635	13.9
79.05490	32.8
81.03410	3.6
81.07056	26.8
81.94675	1.5
83.04977	7.5
83.08624	12.0
85.10172	9.5
89.06035	3.5
91.05482	30.6
91.38495	1.8
93.07042	35.0
95.04980	11.5
95.08619	22.8
97.06530	2.4
97.10188	4.9
105.07031	24.6
107.04954	2.0
107.08583	9.7
108.13954	1.7
109.06524	2.6
109.10154	9.7
117.07016	4.4
119.08588	12.0
121.10139	3.0
122.52187	1.3
123.08088	4.5
128.06230	1.8
129.06996	9.6
131.08565	2.2
133.08640	2.6
133.10147	5.9
135.11641	1.9
140.04471	1.5
143.08559	4.8
145.10132	5.5
147.11693	20.2
161.09674	2.2
161.13298	7.2
171.11688	13.8
189.12781	6.2
207.13817	18.2
274.82983	1.3
281.17490	49.8
313.27359	54.7
314.27594	2.0
353.20435	1.5
519.40448	100.0
520.40991	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	714.5515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
55.05518	5.7
56.05043	4.1
57.07081	3.1
58.06582	0.6
60.04517	2.5
62.92128	0.6
67.05512	12.6
68.05019	1.0
69.03446	0.9
69.07069	7.4
70.06586	1.6
71.08608	2.1
71.29590	1.4
78.33590	0.6
79.05495	9.0
80.05006	2.7
81.05787	1.2
81.07067	9.0
82.06594	6.9
83.08614	3.9
84.32517	0.6
85.02898	1.9
85.10163	0.8
91.05488	8.2
93.07047	9.4
94.06017	1.2
94.06577	17.5
95.04986	1.5
95.07355	9.3
95.08615	7.9
96.08139	5.9
97.02869	0.8
97.10177	2.9
105.07034	5.8
107.08591	4.3
108.08112	2.0
109.10153	3.6
111.11714	1.3
119.08577	4.7
121.10143	5.0
122.09661	2.3
123.11720	1.3
133.10147	3.7
135.10626	0.6
135.11702	2.5
136.11299	0.7
136.48241	0.6
147.11638	1.5
158.64476	0.6
161.13361	0.8
163.14827	0.7
233.22620	3.5
234.22166	1.0
245.22636	4.7
250.25308	6.9
254.24783	1.4
262.25317	100.0
263.25699	2.1
272.25861	7.9
280.26379	7.2
312.25302	0.8
504.47659	5.5
516.47784	27.2
517.48157	1.6
518.49432	6.4
534.48938	16.0
553.58118	0.7
677.74323	0.7
696.54126	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	714.4429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	5.3
55.01863	6.4
55.05510	20.3
57.03447	19.7
57.07049	5.0
61.02918	7.0
65.03934	5.6
67.05179	5.1
67.05511	76.4
68.31618	3.2
69.03422	7.8
69.07073	18.7
69.86090	5.1
69.86517	14.1
71.04983	5.1
79.05489	47.2
81.02980	4.3
81.03418	57.2
81.07056	65.8
82.07352	3.0
82.20922	2.9
83.04957	6.6
83.08616	10.1
85.02914	20.9
86.39069	3.3
91.05486	100.0
93.07050	75.1
95.04958	13.1
95.08054	4.2
95.08616	59.5
97.02893	7.8
97.06544	5.8
97.10156	4.1
101.06033	4.4
105.07028	30.3
107.08594	25.9
109.06531	5.5
109.10174	27.6
117.07008	11.3
119.08587	93.7
121.06506	7.8
121.10146	26.4
123.11695	7.2
124.99833	3.3
129.06978	7.3
131.08554	11.0
133.10139	14.8
135.08017	6.1
135.11690	10.8
137.09616	43.7
142.11916	3.2
143.08365	3.5
144.19551	3.6
145.10129	10.9
145.11244	3.4
147.08041	9.6
147.11635	8.1
149.02345	3.4
149.13268	7.2
151.11139	4.0
157.10152	4.9
159.11693	7.8
161.13287	5.6
163.11195	3.1
163.14879	3.9
163.75766	3.0
165.09099	46.4
169.10094	3.3
173.13295	3.5
183.10175	22.8
184.07362	5.1
193.04974	4.9
220.78491	3.3
233.18785	4.0
239.12767	21.0
243.21111	4.9
243.81039	3.3
257.13867	71.6
261.22110	18.4
267.15833	8.3
285.16959	10.9
307.22775	19.0
335.25821	96.5
336.26108	7.1
407.29175	3.6
429.11609	3.8
499.34009	13.1
517.35236	78.3
518.35693	5.2
714.41895	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	714.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.0
54.13928	0.8
55.01874	5.0
55.05514	20.5
57.03439	10.8
57.07075	5.2
59.05004	1.5
61.02938	5.6
67.05510	46.9
69.03415	2.3
69.07072	15.5
71.04984	3.1
71.08634	1.2
71.56756	1.2
73.02914	2.2
76.05663	0.9
79.05057	1.7
79.05498	22.7
81.03426	8.2
81.07061	52.8
83.01351	6.9
83.04983	9.2
83.08617	13.5
85.02891	6.3
85.06530	2.5
85.10163	1.5
89.09041	0.9
91.03943	2.2
91.05485	17.5
93.06468	1.4
93.07045	23.8
95.04979	6.4
95.08611	28.9
97.02876	3.9
97.06519	4.7
97.10163	4.6
99.04472	1.8
99.08077	2.6
105.07026	13.7
107.04982	4.7
107.08601	13.2
109.05876	1.0
109.06505	5.0
109.10161	10.8
111.04475	1.6
111.08065	2.1
113.09626	2.0
117.07002	5.2
119.08598	10.5
121.06483	2.9
121.10154	8.9
123.08089	6.7
123.11713	4.0
125.06005	1.5
125.09630	3.2
131.08594	4.5
133.10149	7.8
135.08052	1.5
135.11690	11.8
137.09599	2.3
137.13245	1.4
143.08542	1.3
145.06427	1.1
145.10115	10.6
147.08032	1.5
147.11679	3.8
149.09628	1.4
149.13264	1.5
151.11357	1.0
151.14793	1.2
153.12703	2.5
155.08478	1.0
161.13229	2.1
163.11191	15.0
173.09607	2.6
175.14828	1.4
179.79895	0.9
181.12239	3.1
191.10661	2.8
209.11726	6.1
217.19537	6.3
227.12798	5.8
233.19102	1.0
235.20578	10.6
283.15408	100.0
284.15720	2.5
285.17114	1.1
291.23352	1.1
309.24243	87.4
310.24561	4.0
325.18372	1.1
373.66669	0.9
425.30411	1.2
499.35019	1.0
517.35272	65.5
518.35590	3.3
714.41809	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	6.6
55.01882	2.7
55.05515	19.6
57.03437	15.9
57.07067	1.9
61.02924	5.7
65.03932	3.8
67.05509	57.0
69.03431	4.8
69.07083	13.5
69.71046	1.8
69.71455	3.9
71.04991	6.0
73.02910	1.4
77.44437	1.0
79.05500	61.2
80.05822	1.4
81.03419	48.1
81.06581	2.5
81.07063	52.4
83.04990	12.5
83.08627	20.2
85.02914	25.4
85.06548	3.0
91.03970	1.8
91.05490	43.7
93.07052	58.3
94.60146	1.1
95.04366	1.4
95.04971	23.7
95.08611	29.5
97.02887	4.8
97.06535	5.6
97.10163	3.8
99.08130	2.7
105.04527	1.6
105.07034	31.8
107.04959	6.5
107.08601	20.7
109.06509	3.9
109.10146	10.6
110.44760	1.1
111.04446	2.6
111.08082	7.5
113.05965	1.8
115.05488	2.2
115.83805	1.0
117.06990	5.4
119.08591	24.9
121.10146	27.6
123.08086	2.7
123.11699	5.0
125.09648	1.6
126.82078	1.1
127.03881	1.3
129.07019	9.6
131.08582	17.1
133.06496	1.4
133.10136	16.8
135.08086	2.1
135.11693	12.7
137.09627	2.0
142.07799	2.3
145.10139	7.9
147.08102	1.6
147.11687	14.6
149.09589	5.4
149.13255	6.2
151.11226	1.2
157.10159	9.1
159.11714	5.8
160.24210	1.2
163.11221	2.3
165.12732	2.4
169.10136	1.1
171.11717	1.7
173.13274	3.6
175.11214	11.6
184.07301	1.3
187.14809	1.8
189.11136	1.3
189.16408	1.1
193.12256	34.0
203.18178	1.1
205.19672	1.6
210.37901	1.0
211.13307	50.9
215.17973	15.5
227.12784	1.2
233.19025	13.6
267.15930	12.7
285.16980	59.2
291.19476	1.5
307.22699	89.3
308.23105	3.7
321.37515	1.2
407.29395	2.2
408.79291	1.2
413.97449	1.1
499.34232	11.7
517.35272	100.0
518.35541	4.4
572.31122	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67521	0.9
53.03947	2.8
55.01869	2.5
55.05263	1.4
55.05516	17.1
57.03439	21.0
57.07073	2.1
58.21777	1.0
61.02925	2.8
65.03952	2.8
67.05509	71.3
69.03429	1.5
69.07074	18.1
71.01350	3.3
71.04996	3.9
71.14892	1.3
71.15233	1.5
74.28890	0.9
78.84170	0.7
79.05498	51.0
81.03413	5.1
81.07060	45.6
82.07379	1.1
83.04983	9.1
83.08636	6.0
85.02909	2.9
85.06554	4.0
91.05483	23.2
93.07053	67.3
94.07370	1.2
95.04980	6.7
95.08614	29.0
97.02909	1.9
97.06530	11.5
97.10172	8.0
99.04482	1.4
99.08115	2.0
99.46880	0.8
105.04514	1.4
105.07044	12.7
107.04937	1.3
107.08600	42.1
108.08887	0.8
109.06538	2.5
109.10170	16.4
111.08100	2.3
112.94163	0.8
117.07054	7.3
119.08591	12.7
121.06527	1.0
121.10146	15.7
123.11731	3.0
125.09636	2.2
128.06175	0.8
131.08565	6.3
133.10136	9.7
135.11700	51.7
136.12099	1.2
137.09608	1.5
140.37302	1.0
144.53047	0.9
145.10126	11.9
147.11708	3.6
149.13306	4.9
151.11153	1.1
153.12825	1.7
156.91391	0.9
157.10146	1.0
159.11722	3.7
161.13300	2.7
163.11180	5.5
163.14851	2.5
171.11813	1.0
173.13268	4.2
175.14845	1.0
181.12239	12.8
187.14850	1.7
199.13297	1.2
229.14346	1.2
233.22513	1.0
243.18127	0.8
243.21112	3.6
253.14397	3.4
255.15933	100.0
256.16217	2.3
259.20557	1.1
261.22153	13.7
281.17487	1.1
299.58307	0.8
307.19427	0.9
317.24805	2.4
321.24747	1.2
335.25812	52.5
336.26166	1.3
423.32617	1.9
441.33676	2.1
515.37360	83.0
516.37469	4.6
533.38379	1.9
605.27850	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22354	1.5
53.03948	3.6
55.01872	2.8
55.05515	15.7
57.03437	5.8
57.07067	2.2
61.33858	1.5
65.03922	1.9
67.05171	2.7
67.05511	43.0
67.33468	1.3
69.03436	2.1
69.07073	11.8
69.63397	8.4
79.05506	36.4
81.03446	3.7
81.07066	45.8
83.04983	5.8
83.08638	7.6
85.02919	2.4
91.05495	28.7
93.07056	31.3
95.04986	9.7
95.08624	23.8
97.06543	3.3
97.10192	2.3
99.08099	1.8
105.07041	17.6
107.04977	2.5
107.08597	8.8
109.10169	7.1
111.08108	2.9
117.07033	3.4
119.08614	10.9
121.10149	4.1
123.11731	3.1
129.07039	8.1
131.08575	2.2
133.10144	7.3
133.35890	1.5
135.11702	2.8
140.81052	1.5
143.08612	3.3
145.10117	2.7
147.11702	17.2
161.09624	1.7
161.13307	4.1
171.11696	9.5
172.44115	1.6
176.30952	1.9
189.12801	3.8
207.13745	9.1
217.19560	2.0
235.20682	2.8
262.25375	2.2
281.17505	31.8
309.24261	46.6
421.85538	1.7
481.44775	1.6
515.37390	100.0
516.37567	6.1
517.55212	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.05511	1.0
57.03439	1.2
61.02934	4.1
61.91385	0.5
64.03210	0.4
67.05509	3.3
69.03433	2.7
69.07064	1.0
73.02930	2.8
79.05505	4.7
81.03431	2.3
81.07063	3.2
83.05003	1.4
83.08640	0.6
85.02905	3.7
91.03979	1.6
91.05488	6.4
93.07047	2.9
95.04973	1.4
95.08618	2.2
97.02887	3.2
99.04481	0.9
101.02382	1.4
103.05473	0.6
105.07043	3.0
107.04982	0.9
107.08620	1.4
109.06498	0.5
115.05479	0.7
117.07036	2.4
119.08575	2.5
121.06524	0.5
121.10200	0.7
123.08104	1.0
127.03948	0.8
128.06198	0.9
129.05551	0.6
129.07022	4.5
131.08611	1.8
133.10149	1.0
135.08067	0.7
141.07076	0.5
143.08600	1.7
145.10144	0.6
147.08090	1.5
147.11687	0.6
157.10170	0.7
161.13332	0.6
169.10182	0.8
171.11748	1.0
208.30170	0.5
222.64684	0.5
243.08446	1.7
247.13052	0.6
271.13181	1.4
303.16373	0.5
465.20975	3.4
489.20996	6.8
678.25885	0.5
713.35107	100.0
714.35577	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	712.427
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	0.9
53.03904	3.2
55.01876	8.3
55.05516	23.1
55.05758	1.4
57.03444	15.5
57.07029	3.2
59.04961	2.4
61.02939	6.9
65.03896	2.8
65.65800	0.7
67.05510	47.9
67.05856	1.8
69.03432	3.5
69.07074	10.2
69.44180	4.6
71.01348	1.1
71.04999	5.5
73.02900	1.8
79.05499	58.4
81.02995	0.8
81.03416	11.0
81.07063	52.6
83.01345	8.3
83.04992	12.2
83.05470	1.6
83.08636	13.4
85.02911	7.8
85.06490	3.0
85.06951	0.7
91.03924	2.9
91.05486	30.6
92.05727	1.1
93.07050	65.4
95.04981	10.1
95.08614	28.8
97.02895	6.0
97.06541	6.3
97.10169	3.7
99.04426	2.1
99.08050	3.2
103.05444	1.2
105.04514	1.5
105.07040	20.9
107.04968	7.9
107.08604	28.4
109.06535	8.6
109.09476	0.9
109.10158	13.8
111.04418	2.1
111.08036	3.4
111.11728	0.9
113.09603	1.0
117.07039	12.5
119.07823	1.2
119.08590	17.9
121.06517	4.2
121.10156	29.0
123.08060	6.9
123.11706	6.0
125.06010	1.0
125.09619	3.9
129.05458	1.0
129.06967	3.2
130.07730	2.0
131.04846	0.8
131.08578	16.2
132.29872	0.8
133.10147	13.4
135.08023	2.8
135.11708	27.1
137.09583	2.9
137.13263	1.1
139.11172	1.3
143.08540	1.8
145.06415	1.2
145.10132	20.9
147.08008	1.2
147.11707	6.7
149.09581	2.5
149.13280	9.5
151.11169	1.8
153.12741	3.5
155.08519	2.2
157.10124	1.8
159.11697	8.7
161.13258	2.1
163.11192	22.8
171.11647	1.7
173.02444	0.7
173.09666	2.9
173.13263	6.8
175.14847	1.4
181.12241	4.5
183.34387	0.7
187.14845	2.8
189.11194	1.9
189.16321	1.0
191.10693	2.2
193.12401	0.8
205.15874	0.8
205.19522	2.5
209.11746	7.1
211.13206	0.9
213.16344	1.3
215.17976	22.3
227.12793	9.4
231.17477	2.6
231.98167	0.7
233.19037	20.5
251.20143	0.8
265.39825	0.9
271.20572	2.6
283.15421	100.0
284.15771	1.6
289.21680	2.8
305.21188	1.1
307.22699	97.8
308.23035	3.2
405.28079	1.7
423.29044	2.4
426.49432	0.8
441.30023	2.3
487.34018	0.9
497.32697	4.1
515.33704	63.0
516.34222	3.5
533.34521	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.2
55.01872	10.5
55.05519	11.5
57.03183	1.6
57.03442	18.5
57.07085	2.4
61.02934	7.8
65.03925	2.4
67.05510	52.3
69.03435	3.3
69.07069	13.4
69.39743	8.3
70.22058	1.1
71.04989	2.3
73.02922	1.6
79.05498	68.6
81.03429	9.6
81.07063	48.2
83.01353	7.8
83.04987	3.2
83.08627	7.5
85.02905	9.2
85.06519	1.6
90.97160	1.2
91.03976	3.3
91.05489	80.6
93.07052	50.1
95.04971	5.5
95.08617	36.7
95.09238	1.8
97.02909	3.3
97.06526	3.3
97.10204	2.1
98.20721	2.6
105.07042	15.6
106.41953	1.2
107.04955	7.8
107.08606	47.2
109.06541	4.7
109.10161	14.3
111.04446	2.7
111.08077	2.4
115.05462	9.6
117.07027	54.9
119.04944	1.2
119.08589	16.4
121.10143	15.3
123.08083	1.9
123.11684	6.1
125.09684	1.2
127.03925	1.4
129.06995	1.3
131.08562	9.4
133.06477	1.7
133.10153	8.0
135.08063	65.4
135.11687	13.6
137.09624	3.4
143.07030	1.9
143.08578	1.9
145.06502	1.5
145.10114	7.6
147.11699	5.4
149.13297	6.8
153.09116	4.7
157.10147	2.4
159.11674	7.0
161.13263	4.6
163.07573	12.4
163.14844	4.0
165.09099	2.5
173.13286	5.8
175.14900	2.3
181.08638	5.2
181.10071	1.4
183.11662	1.4
185.13239	2.0
187.14848	3.3
189.12747	1.4
199.09673	8.3
199.14806	1.4
233.22652	1.4
239.12761	1.9
243.21202	8.1
254.70006	1.3
255.12299	100.0
256.12592	2.3
257.13757	1.3
261.22137	17.8
299.23639	3.0
315.91336	1.4
317.24707	2.8
333.24359	1.5
335.25824	85.8
336.26147	3.2
343.22675	1.6
405.28116	2.7
423.28836	2.2
441.30170	2.5
461.60306	1.4
487.34485	1.6
497.32516	5.7
515.33740	47.9
516.33789	2.7
533.33838	1.7
712.41663	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
55.05508	1.1
57.03426	0.6
65.03942	0.4
67.05515	3.9
68.99799	0.6
69.03436	0.5
69.07067	1.2
70.74551	0.7
79.05495	5.0
81.03421	1.0
81.07071	4.8
82.02016	0.4
83.04944	0.6
83.08619	0.5
85.02916	1.3
86.09699	0.4
86.53069	0.3
91.05472	3.2
93.07053	4.7
95.04949	0.7
95.08614	3.7
97.02905	0.8
105.03416	0.4
105.07037	2.5
107.04980	0.6
107.08617	2.0
109.10156	1.4
111.00818	0.9
111.04502	0.5
117.07008	1.0
119.08603	2.6
121.02888	3.4
121.10163	2.3
123.11688	0.6
129.07022	0.6
131.08553	1.7
133.10115	1.1
135.11688	1.3
136.92044	0.4
137.02359	0.6
143.08530	0.6
145.06514	0.4
145.10098	1.1
147.04471	0.6
147.11697	1.0
149.09631	0.5
149.13242	0.6
153.01839	3.1
155.08612	0.5
157.06531	0.6
159.11716	0.7
161.13283	0.4
165.01865	1.7
171.11650	0.5
183.02927	1.0
184.07372	1.0
185.06030	0.6
213.05452	1.7
214.36116	0.5
241.04941	1.2
258.05234	1.2
261.22186	1.4
268.88928	0.4
287.05518	100.0
288.05804	2.2
313.27573	0.4
381.97794	0.5
739.65509	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
55.05508	4.4
57.03453	1.8
67.05225	1.1
67.05515	13.1
71.04998	2.0
71.45379	1.5
79.05496	19.7
81.07066	13.7
83.04991	1.9
83.08638	2.1
85.06586	1.1
91.05492	19.0
91.14055	1.3
93.07053	22.3
95.04951	4.2
95.08610	7.4
105.07053	12.9
107.08587	6.2
109.06512	2.5
111.08067	1.7
117.07059	1.9
119.08572	7.4
121.06528	2.1
121.10159	1.8
123.08064	3.4
129.06990	5.7
131.08607	1.8
133.10120	4.6
135.66200	1.4
143.08597	3.1
145.10196	2.7
147.11690	12.4
161.09703	2.2
161.13278	3.3
171.11697	9.6
189.12775	7.4
207.13831	20.6
225.14839	1.7
281.17493	59.9
282.18030	2.2
320.02380	1.2
469.29483	3.2
487.30597	100.0
488.30746	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	708.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.6
55.01871	6.2
55.05516	18.2
57.03437	7.7
63.50581	2.4
64.04704	2.7
65.03949	5.4
67.05508	51.7
69.03423	5.4
69.07084	6.3
70.47003	5.0
70.47393	7.3
71.04984	5.8
75.54099	2.5
79.05053	4.9
79.05499	71.9
81.03426	23.8
81.07066	35.0
83.04980	20.5
83.08614	5.7
85.06535	3.2
86.01388	2.4
86.09734	4.0
91.05489	100.0
93.07053	62.6
94.48011	2.3
95.04983	21.5
95.08624	23.7
97.02898	4.9
97.06542	10.5
103.05489	6.6
105.07034	48.1
105.07688	4.5
107.04962	8.3
107.08603	15.8
109.06522	11.4
115.05494	7.1
117.07019	41.3
119.08584	52.4
121.06495	5.8
121.10152	6.6
123.08080	12.9
128.06213	17.2
129.07013	86.4
131.08606	24.6
133.06528	5.3
133.10123	8.5
135.08101	6.2
141.06996	11.4
142.07759	3.6
143.08571	24.3
145.06535	7.0
145.10092	12.8
147.08064	34.1
147.11705	22.7
149.09654	3.8
153.07021	4.8
155.06023	3.1
155.08618	4.2
157.10168	7.9
159.11726	3.3
161.09631	9.1
161.13257	11.5
165.07014	4.9
167.08524	15.2
169.10104	17.7
171.11694	26.1
180.09312	5.0
184.07262	2.8
185.09564	3.3
185.13240	17.6
187.11229	5.6
189.12787	6.9
195.11740	17.2
203.14462	3.5
207.13823	17.1
213.12805	32.4
225.14935	4.5
231.13820	16.2
249.14830	3.3
281.17508	76.1
287.16333	4.8
305.17523	31.1
309.16882	5.4
445.26120	5.6
493.29150	3.4
511.30557	98.0
706.26813	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	707.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97412	1.8
53.03948	10.0
53.91833	1.9
55.01868	8.5
55.05494	6.0
57.03429	9.0
61.02918	4.5
67.05499	11.1
68.99800	4.9
69.03073	3.2
69.03432	36.5
69.07066	5.2
70.61922	6.9
70.62292	1.9
71.05003	16.3
72.14842	2.3
73.02910	6.1
76.55277	1.9
79.05492	5.8
81.03425	31.4
81.07038	9.8
83.04980	6.6
85.02911	79.6
85.06535	5.4
87.00831	26.9
91.05479	6.9
93.07046	20.9
95.04971	14.4
95.08616	20.5
97.02906	35.0
97.06532	2.2
99.04456	14.4
99.08102	100.0
103.03914	3.2
105.01866	27.2
105.07034	5.7
107.08604	16.7
109.02221	3.7
109.02894	46.7
109.10170	26.4
115.03959	2.2
116.10689	2.8
117.01899	2.3
119.05041	2.6
119.08570	7.2
121.10155	6.3
123.04406	2.3
123.11704	7.9
125.09622	6.5
127.03926	69.8
129.01862	3.9
133.10156	10.4
135.11714	27.2
137.09618	10.7
145.04990	20.4
147.04446	3.4
151.11134	2.0
153.01859	6.6
155.10675	19.6
159.02936	11.6
165.16420	3.5
169.04988	3.9
171.02856	2.3
175.14838	8.2
189.03938	4.9
191.32132	2.2
193.15912	42.5
211.16945	70.2
213.03886	11.3
224.96538	2.4
231.05029	23.6
249.06235	3.7
273.06042	10.1
381.09705	26.9
399.10764	25.8
408.18900	2.2
461.09448	2.5
739.39288	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	707.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00376	0.2
69.03407	0.3
69.52951	1.9
81.03429	0.3
82.99875	1.1
97.02903	0.6
101.00250	0.5
101.00874	5.1
109.02869	0.6
113.00860	0.8
115.02419	0.3
119.01926	9.7
122.01408	1.5
125.00910	0.2
127.02429	1.6
128.01376	0.5
129.00291	0.3
129.02084	0.3
131.01915	5.7
131.51959	0.7
133.03476	0.4
137.01877	2.9
137.02936	1.0
137.52025	0.5
139.02361	0.3
140.02306	0.3
143.01897	19.1
143.51932	0.8
144.01978	0.5
145.02408	0.5
145.03468	6.0
146.02432	0.3
147.01372	0.7
149.01869	0.9
149.51982	0.5
152.02408	1.8
152.52448	0.6
153.03931	0.3
155.00623	0.5
155.01894	9.9
157.03484	3.7
158.02367	0.7
158.03557	0.3
161.02963	13.7
162.03059	0.5
163.04486	0.9
164.02382	0.9
167.01888	7.2
168.02016	0.3
169.03473	2.0
171.05038	2.0
173.02966	16.1
173.52997	0.7
175.04504	0.8
177.02498	0.3
179.01799	2.9
181.03532	0.5
182.03532	0.4
184.04530	0.3
185.02965	33.3
186.03149	0.8
187.04530	3.0
189.06033	0.3
191.04086	0.4
194.03481	1.1
197.02959	12.8
197.04778	0.6
198.03136	0.4
199.04535	0.6
203.04008	10.6
203.54128	0.9
204.04062	0.3
208.04500	0.4
209.02946	1.2
212.04549	0.6
215.02061	0.4
215.04024	7.8
221.05019	0.6
224.04565	1.1
227.04001	7.3
227.06155	0.5
233.05087	0.8
239.04056	0.8
243.02094	0.3
245.05072	100.0
246.05280	2.8
254.05597	1.3
257.05066	5.2
263.06143	12.2
264.06375	0.3
269.05270	0.5
275.06134	12.3
276.06342	0.5
284.06665	2.8
284.56747	1.0
286.07562	0.3
287.06076	0.6
293.07187	2.4
305.07162	10.9
306.07367	0.4
317.07230	0.6
329.07281	0.3
335.08157	3.7
347.08176	0.8
365.09283	42.5
365.59320	0.9
366.09537	1.7
383.10394	2.5
407.10391	0.6
425.11414	36.3
426.11661	1.5
437.11404	2.4
455.12430	2.3
485.13382	0.8
526.16376	0.3
550.73383	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83031	3.7
53.03945	15.4
55.01870	15.0
55.05512	36.0
57.03434	11.9
61.02932	4.1
61.39781	3.3
65.03954	6.4
67.05508	64.8
68.01981	3.4
68.05778	3.2
69.03436	26.6
69.07069	20.4
69.71595	17.6
71.04987	13.5
71.08643	3.9
79.05496	53.7
81.03421	100.0
81.07062	75.0
83.04984	30.1
83.08627	18.3
84.04455	3.1
85.02914	12.3
91.05486	45.2
93.07043	63.5
93.18468	3.4
93.49216	3.5
95.04974	16.5
95.08613	52.0
97.02898	29.8
97.06541	9.9
97.10174	18.3
98.21443	6.2
99.04463	11.0
105.07035	36.2
107.04968	7.8
107.08604	32.8
109.02895	25.9
109.06552	5.2
109.10146	25.1
111.04450	24.5
111.08070	10.9
113.00745	3.7
113.96494	3.1
115.05450	3.7
117.07042	19.2
119.08594	31.1
121.06462	6.6
121.10142	28.4
123.08093	6.4
125.09634	17.3
127.03915	17.6
129.07021	12.0
131.08549	31.4
133.10117	18.1
135.08072	10.2
135.11719	27.9
139.03917	8.7
143.08585	11.6
145.06497	5.3
145.10129	22.0
147.04425	10.1
147.08092	6.7
147.11693	16.9
149.09642	4.6
149.13274	6.1
151.11305	3.9
153.09087	4.3
153.12747	17.0
154.05138	3.1
155.08588	6.1
157.10152	9.7
159.07977	5.6
159.11720	14.2
161.09753	3.3
161.13252	8.6
163.11188	21.2
167.08623	4.1
169.10081	5.7
171.11670	9.9
173.04454	29.0
173.09676	5.0
173.13275	9.3
175.11224	3.3
175.14833	4.1
181.10165	3.8
181.12202	18.0
183.11693	4.8
185.13278	7.0
187.07474	4.0
187.14801	5.6
189.11276	12.5
191.10696	12.4
193.12227	4.5
195.11751	6.0
199.11230	4.7
199.14830	4.4
205.46417	3.6
209.11705	8.3
209.13429	3.9
227.12772	45.8
243.20930	5.0
253.19791	5.1
259.20724	4.4
261.22061	7.5
281.17490	7.1
283.15466	20.8
299.23676	6.8
317.25006	6.4
335.25845	22.8
341.24753	3.7
353.15930	7.2
427.19785	8.9
451.32019	7.7
469.32956	6.0
525.35748	10.3
543.36908	56.2
561.37628	8.3
595.36157	14.1
613.37225	5.3
669.40240	9.6
687.40997	20.6
705.41962	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	705.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80814	2.6
53.03960	13.6
55.01883	16.3
55.05517	40.7
57.03427	12.5
57.07051	3.7
61.02929	4.2
65.03934	3.9
67.05508	86.6
69.03437	39.8
69.07071	24.8
71.01357	4.3
71.04996	15.9
71.57661	4.4
73.02899	3.7
79.05492	61.2
81.03423	100.0
81.07062	67.0
83.04984	31.5
83.08629	21.6
85.02912	12.8
85.06541	3.4
85.83957	2.6
87.04449	4.6
91.05492	46.1
93.07053	62.4
95.04975	15.8
95.08614	56.8
97.02895	31.6
97.06527	9.9
97.10177	23.6
99.04461	12.5
103.05471	4.6
105.04500	3.1
105.07039	44.3
107.04968	10.7
107.08607	45.5
109.02887	17.7
109.06561	9.6
109.10164	31.5
111.04436	22.4
111.08071	10.5
115.05470	7.5
117.07047	24.6
119.08590	32.3
121.06548	4.1
121.10149	29.8
123.04424	3.9
123.08098	7.7
123.11729	6.2
125.05960	3.0
125.09649	17.5
127.03942	12.6
128.06224	6.4
129.07019	12.5
130.07817	5.4
131.08582	33.7
133.10147	20.7
135.08061	3.8
135.11702	26.1
137.09608	3.4
141.06935	3.0
143.08575	16.4
145.06465	5.3
145.10147	31.5
147.08025	4.5
147.11714	12.3
149.09619	4.8
149.13261	5.8
153.12755	21.7
155.08641	9.8
157.10178	13.7
159.11699	14.8
161.13266	8.1
163.11203	20.0
169.10187	5.7
171.11719	8.8
173.04486	32.0
173.09598	3.3
173.13246	9.5
175.11166	4.4
175.14819	4.2
177.05537	6.6
177.12828	4.1
181.10114	3.9
181.12221	17.5
183.11769	3.3
184.07350	7.4
185.09566	4.9
185.13272	5.4
187.11157	3.9
187.14886	6.5
189.11238	11.3
189.12781	3.6
191.10666	15.7
193.12230	3.8
197.13414	5.2
209.11716	7.4
209.13382	4.5
211.13264	3.2
225.12950	3.4
227.12764	46.7
249.37778	3.1
259.20377	4.6
261.22131	11.2
277.21732	3.8
281.22464	3.6
283.15482	19.4
299.23691	7.3
301.16495	3.7
301.21921	3.7
303.23270	3.2
317.24661	3.5
333.24399	4.5
335.25778	27.7
351.23465	3.0
353.15909	6.8
369.24066	4.6
427.19556	11.7
433.31180	6.8
451.31979	10.3
469.33093	7.2
487.34686	4.7
507.34396	3.7
515.37323	6.4
525.35797	18.3
533.39032	4.1
543.29315	5.6
543.36847	69.2
561.37604	7.9
608.26483	7.8
669.40076	6.2
687.41089	19.8
705.41998	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.7
53.03950	17.8
54.57789	2.9
55.01880	19.5
55.05516	50.7
57.03439	18.5
57.07066	4.1
60.52404	2.5
65.03934	5.9
67.05509	88.0
67.41692	2.9
68.05830	3.7
69.03123	3.7
69.03436	39.9
69.07082	23.7
69.97040	2.9
71.01380	2.6
71.04998	14.0
79.05499	74.1
80.05885	3.1
81.03425	100.0
81.07066	83.9
81.29883	2.6
82.03731	3.2
83.04993	33.3
83.08633	20.4
85.02900	15.0
85.06525	3.6
91.05484	51.9
92.06296	2.9
93.07052	74.7
95.04980	19.7
95.08611	47.9
97.02908	32.3
97.06531	11.3
97.10160	18.2
99.04448	17.6
99.08080	4.9
101.02390	3.3
105.07031	49.9
107.04969	11.7
107.08607	48.8
109.02885	35.9
109.06512	8.9
109.10167	25.7
111.04453	29.1
111.08097	13.6
117.07025	27.0
119.08587	35.8
121.06500	9.4
121.10162	30.8
123.08054	3.9
123.11695	5.9
125.09624	16.8
127.03924	28.5
128.06216	3.3
129.05481	3.3
129.07004	13.2
131.08583	32.3
133.10138	22.9
135.08055	5.0
135.11688	29.5
137.09669	3.3
141.07016	4.5
142.07785	3.2
143.08586	15.8
145.06479	5.3
145.10126	34.4
147.08031	4.0
147.11671	17.8
149.09688	4.3
149.13234	6.6
153.12762	20.7
155.08614	5.5
157.10146	12.5
159.08090	5.1
159.11725	16.9
161.13272	4.6
163.11180	25.1
167.08536	5.4
169.10129	8.9
171.08022	3.8
171.11694	10.6
172.59024	2.9
173.04453	28.4
173.09598	9.5
173.13281	9.7
175.11172	4.2
181.12271	23.8
183.11726	6.1
184.07338	7.7
185.13289	9.3
187.14813	6.8
189.11214	15.7
191.10689	18.9
193.12228	3.7
195.11714	3.4
197.13284	4.2
199.14882	7.0
207.11745	3.1
207.13705	3.2
209.11809	8.0
215.04352	3.2
226.79573	3.2
227.12776	47.2
259.20651	5.5
261.22137	12.1
277.21506	3.1
283.15390	18.5
291.85196	2.9
299.23715	8.5
301.16269	6.6
317.24768	4.5
335.25916	36.0
353.15820	6.1
369.24310	5.4
370.48706	2.8
387.25845	3.1
427.19684	11.0
433.30594	4.8
443.27731	2.9
451.32089	6.1
469.33206	4.5
515.37042	4.0
525.35883	16.4
543.36841	54.5
558.76569	3.3
561.37518	8.5
585.37616	3.9
669.39722	9.8
687.41333	23.4
705.41925	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.6
55.05510	0.9
56.96554	0.9
59.60850	0.6
60.03957	0.6
61.02914	0.6
62.43917	0.5
62.44284	0.6
63.46016	0.5
67.05499	1.2
69.03420	1.0
69.28671	1.7
69.29100	3.4
79.05501	1.2
81.03432	2.4
81.07058	2.0
82.18748	0.6
83.04982	0.6
85.02912	0.7
91.05479	1.6
93.07030	1.0
95.04985	0.7
105.07037	1.4
107.08631	1.0
117.07048	1.0
119.08613	0.8
129.06949	0.5
131.08569	0.9
133.10158	0.7
135.08118	0.6
145.10123	0.7
147.11673	0.7
163.42667	0.5
177.29721	0.6
227.12421	0.7
281.10736	1.4
426.51062	0.6
481.18738	1.4
499.18524	2.9
543.36932	4.3
639.06830	0.7
705.32422	100.0
706.32758	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	705.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	2.9
53.03955	18.8
55.01890	15.9
55.05516	28.0
57.03437	14.7
57.07091	5.0
61.02918	4.1
62.23361	2.2
65.03946	4.1
67.05508	77.0
69.03432	30.9
69.07075	21.3
71.04986	13.1
71.31028	4.6
79.05495	60.1
81.03423	100.0
81.06579	3.5
81.07061	65.3
83.04983	29.8
83.08613	19.1
85.02892	14.2
85.06557	4.1
87.79619	2.3
88.49535	2.2
91.04957	3.9
91.05486	46.0
91.06010	4.1
93.07043	60.2
95.04972	16.3
95.08604	47.9
97.02902	30.1
97.06531	10.1
97.10182	15.8
99.04480	11.8
99.08085	3.7
102.35059	2.4
103.05450	2.7
105.07040	37.9
107.04967	9.0
107.08604	38.8
109.02881	20.9
109.06511	8.1
109.10155	27.8
111.04449	27.9
111.08086	10.1
117.07037	20.8
119.08585	26.5
119.09370	3.9
121.06544	6.6
121.10167	26.8
123.04465	3.7
123.08082	5.8
123.11692	7.5
125.09640	12.0
127.03922	21.9
129.05493	3.2
129.07040	11.7
131.08568	28.4
133.06483	4.0
133.10143	19.8
135.08029	6.6
135.11713	25.3
139.03990	6.1
139.07396	2.1
141.06984	2.9
143.08549	11.4
145.06531	3.9
145.10126	25.3
147.04404	18.9
147.08034	4.6
147.11661	19.2
149.09618	4.8
149.13286	5.6
151.03870	3.2
153.12741	18.6
153.61385	2.2
154.08534	2.3
155.08577	8.6
157.06477	2.2
157.10129	8.0
159.11679	15.6
161.05998	3.1
161.13243	6.3
163.11171	21.5
167.08575	3.5
169.10159	4.4
171.11719	10.8
173.04509	27.1
173.09683	7.0
173.13248	13.0
175.14914	3.2
179.07004	2.1
181.10089	3.9
181.12276	16.3
183.11673	6.6
184.07318	3.2
185.09607	2.8
185.13322	5.7
187.11076	2.6
187.14789	5.8
189.11224	7.5
191.10664	17.2
193.12349	2.4
195.11725	3.1
197.13257	2.6
199.14777	2.8
209.11732	9.4
213.16414	3.0
213.56956	2.7
227.12784	43.5
259.20648	3.7
261.22186	7.8
275.20050	3.1
281.17474	6.5
283.15314	15.6
299.23648	7.8
301.21756	3.9
317.24622	4.6
335.25861	32.6
353.16052	10.9
369.24246	4.5
387.25180	3.7
405.26169	2.7
427.19632	4.8
440.80997	2.6
451.31961	7.6
487.33664	2.8
504.35434	2.6
515.37177	6.3
525.35876	13.0
543.29218	3.8
543.36847	46.3
561.37616	9.8
595.36017	9.7
613.37012	9.0
651.39734	4.0
669.39709	4.3
687.40930	31.1
705.42328	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	703.442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	13.2
55.01866	5.4
55.05516	30.0
57.03445	20.4
57.07067	2.7
58.06620	2.2
60.45857	1.9
61.02914	5.1
63.93461	1.6
65.03957	4.6
67.05510	83.0
67.23512	1.6
68.28460	1.4
69.03075	2.0
69.03430	26.5
69.07070	17.1
69.67482	1.8
71.04993	5.7
71.30909	2.7
73.02916	5.6
79.05502	76.5
81.02977	3.4
81.03426	48.8
81.07064	74.8
83.04996	15.6
83.08629	9.3
85.02913	19.5
85.06541	3.3
89.06023	2.9
91.03948	2.5
91.05490	69.3
93.06464	4.0
93.07055	80.1
95.04988	21.4
95.08616	49.2
95.93913	1.7
97.02912	11.1
97.06535	5.7
97.10158	5.2
99.04445	3.1
101.02365	1.9
102.70455	1.8
103.05483	2.9
105.04510	1.9
105.07039	42.0
107.04942	9.1
107.08610	31.9
109.02864	3.1
109.06511	7.7
109.10163	17.9
111.04457	3.5
111.08081	3.9
115.05424	5.0
117.07033	20.8
119.04960	5.1
119.08595	26.9
121.06501	4.9
121.10144	20.4
123.08054	3.6
123.11713	5.6
124.17051	1.8
126.70443	1.6
127.03947	8.5
128.06233	5.4
129.05457	5.9
129.07007	18.1
131.04897	3.1
131.08585	19.8
133.06461	4.5
133.10150	16.1
135.08037	3.3
135.11705	11.7
137.09645	3.2
138.07118	2.0
141.07021	4.9
143.08578	13.8
145.06494	5.4
145.10133	14.1
147.04437	14.9
147.08054	6.0
147.11690	19.0
149.09628	3.4
149.13304	6.7
155.08582	4.1
157.06520	3.4
157.10149	5.3
159.08054	4.3
159.11719	8.1
161.09648	5.6
161.13286	9.7
163.11172	2.7
167.08595	2.9
169.10223	3.0
171.08049	3.8
171.11732	12.5
173.04492	7.2
173.09561	2.0
173.13309	6.2
177.12782	3.0
179.14297	2.3
181.10120	4.2
184.07425	2.6
185.13287	2.6
187.11183	2.9
189.12781	5.8
197.13173	2.0
199.15024	1.9
200.41609	1.8
205.17702	2.0
207.13788	11.1
209.13361	2.3
227.14330	2.0
236.15067	2.6
237.15353	3.0
241.15939	4.0
243.08499	3.1
243.21213	2.2
245.15228	2.2
251.14241	2.1
259.17004	5.6
261.22150	4.3
269.15555	4.9
279.15622	3.1
281.17545	11.6
287.16492	12.3
295.18921	2.1
305.17566	2.4
307.40079	2.0
335.25827	68.1
336.26422	2.4
351.18201	3.4
361.20096	4.6
379.21082	2.2
425.21637	7.0
453.21033	2.9
491.25940	8.2
502.57605	1.9
541.39038	31.2
555.40479	3.7
558.03107	1.8
558.11621	2.2
621.41315	3.3
667.49536	4.5
685.42847	4.8
703.40289	100.0
704.41467	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	703.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.3
53.03948	18.3
55.01870	6.5
55.05516	30.9
57.03444	15.3
57.07052	3.1
65.03929	7.8
65.99793	2.5
67.05510	92.9
69.03072	2.9
69.03432	35.8
69.07080	19.7
70.26444	9.2
71.04977	7.7
73.02907	3.4
74.62121	2.5
75.28724	2.5
75.85999	2.0
79.05498	100.0
81.02976	4.6
81.03426	59.6
81.03905	3.7
81.07066	82.8
83.04986	17.6
83.08638	11.6
84.14264	2.6
85.02906	18.7
85.06543	3.0
87.04447	2.1
89.05975	5.1
91.05486	82.4
93.07049	90.3
95.04975	29.5
95.08610	57.7
96.68907	2.2
97.02879	11.8
97.06531	8.1
97.10183	5.2
99.04438	5.5
105.07039	56.9
107.04989	12.3
107.08602	34.8
109.02882	6.5
109.06516	8.2
109.10167	13.7
111.04433	4.5
115.05448	3.6
117.07031	26.4
119.04932	2.7
119.08587	28.8
121.06521	6.1
121.10152	23.3
123.08086	6.2
123.11681	5.8
127.03903	11.2
128.06200	7.3
129.05489	3.4
129.07005	21.9
131.04945	4.3
131.08583	24.5
132.85796	2.4
133.06517	6.7
133.10141	19.9
135.08018	5.6
135.11682	11.2
137.09543	3.5
141.06946	4.6
143.08565	15.6
145.06483	9.2
145.10159	13.6
147.08046	4.5
147.11679	25.5
149.13264	6.2
155.08568	5.9
157.06491	4.1
157.10106	8.6
159.08064	4.8
159.11703	8.8
161.09630	4.7
161.13239	11.3
167.08607	5.5
169.10129	6.0
171.08031	5.1
171.11732	20.4
173.04437	9.0
173.09676	2.7
173.13254	7.1
175.11185	3.3
175.14951	3.6
177.12863	3.4
179.14375	2.7
181.10110	3.3
184.07413	2.3
185.09769	4.1
185.13350	3.9
187.14984	2.4
189.12732	8.8
207.13876	11.4
223.14783	4.1
233.15387	4.1
241.15854	4.4
245.15253	2.7
249.57564	2.6
257.15414	2.5
259.17023	3.7
261.22113	7.4
269.15311	4.4
276.27133	2.7
281.17468	18.3
287.16464	14.9
305.17490	4.2
307.18298	2.4
307.48441	2.7
335.25818	84.1
361.20209	4.0
396.45132	2.5
425.21716	6.6
462.88632	3.0
507.94006	2.5
541.38947	43.8
555.40417	3.8
621.40735	5.3
685.42499	3.1
703.44116	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	703.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	2.2
53.03947	14.5
55.01872	5.0
55.05520	18.2
57.03443	5.4
57.07084	1.9
60.11803	1.4
62.04789	1.2
62.11897	1.2
64.38667	1.2
65.03939	6.2
65.95576	1.1
67.05510	61.9
69.03440	7.7
69.07074	14.6
69.29413	1.2
69.99718	2.7
70.00112	3.6
71.04996	4.8
73.06554	2.7
77.03920	2.3
79.05502	100.0
79.88618	1.3
81.03430	24.9
81.07066	55.6
83.04992	11.1
83.08629	8.0
85.02917	12.2
85.06566	3.2
87.04494	1.7
89.06062	1.8
91.05490	80.8
93.07053	96.8
94.07392	1.4
95.04977	25.0
95.08617	32.4
97.02897	5.1
97.06542	6.2
97.10195	4.0
99.04465	5.2
103.03272	1.2
103.03941	3.6
105.04517	4.1
105.07040	56.3
107.04980	7.7
107.08604	21.8
109.02892	15.5
109.06528	7.0
109.10159	7.3
111.04484	2.5
111.08061	3.3
115.05503	2.7
117.07037	13.3
119.08598	30.5
121.06533	4.0
121.10162	11.1
123.08068	4.0
123.11726	1.8
127.03930	38.6
127.07532	1.6
128.06229	4.7
129.07014	25.2
130.07809	2.2
131.08556	7.6
133.06482	1.6
133.08685	1.6
133.10135	16.6
135.11728	5.7
143.08589	11.7
145.04968	2.2
145.10146	14.9
147.04411	2.1
147.08035	2.9
147.11697	56.1
149.13290	2.3
156.09233	1.7
159.11726	3.6
161.09647	7.8
161.13263	15.1
162.86154	1.2
169.10231	1.9
171.11708	45.4
173.13255	2.4
183.06511	9.7
184.07375	2.3
189.12790	18.3
207.13828	74.4
225.14912	2.8
261.22189	2.7
279.15918	2.2
281.17566	3.8
333.17172	3.2
335.25842	53.7
351.18033	11.1
363.25418	2.7
369.18991	2.4
443.28464	1.8
458.94000	1.5
541.38715	3.1
549.01111	1.7
703.43549	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	702.4423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.9
55.01870	5.1
55.05513	52.0
57.03222	1.1
57.03442	12.4
57.07061	2.3
59.04990	1.8
60.25118	1.0
61.02927	3.7
63.32727	1.1
65.03947	1.2
67.05507	58.3
69.03433	5.7
69.07066	13.3
71.04990	1.8
71.08647	1.1
71.57298	1.3
79.05495	36.1
79.05962	1.8
81.03400	1.9
81.07060	46.4
83.04983	3.9
83.08622	32.0
85.02892	1.5
85.06557	2.3
91.03938	1.5
91.05480	13.9
93.07046	33.4
95.04971	2.5
95.08607	26.0
97.02896	2.1
97.06556	3.2
97.10173	70.0
104.24419	1.1
104.40212	1.1
105.07028	11.5
107.08595	35.5
109.10155	15.3
111.08078	3.5
117.07018	5.4
119.08582	8.0
121.10131	13.7
123.11721	4.6
125.09634	64.5
131.08565	7.9
133.10130	5.9
135.08069	6.5
135.11696	7.5
136.86488	1.1
137.13297	1.9
143.10704	1.9
145.10129	4.7
147.11679	4.0
149.13277	8.3
153.09116	4.8
159.11685	3.5
161.13246	3.1
163.14795	2.3
169.10136	1.1
171.10168	4.1
173.13324	3.5
184.07281	1.5
186.10640	1.2
187.14842	2.0
189.11227	51.9
227.10899	1.6
227.12779	77.1
243.21135	5.7
245.13860	100.0
246.94820	1.2
261.22168	23.6
275.91196	1.2
279.23196	4.1
317.24805	3.3
335.25790	67.5
336.26096	1.5
343.52454	1.0
408.06299	1.1
431.31256	1.9
434.99045	1.2
487.34064	8.0
505.35275	39.8
523.36304	1.9
606.06293	1.3
694.52167	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.6
55.01868	6.5
55.05516	21.3
57.03436	7.5
57.33267	2.6
67.05508	47.1
69.03421	3.2
69.07049	8.1
69.80507	2.4
70.01084	15.1
71.04986	4.2
79.05496	53.9
81.03426	13.6
81.07063	40.3
83.04982	14.2
83.08607	7.9
85.06558	4.1
91.05492	42.7
93.07049	51.3
95.04972	26.8
95.08619	19.3
97.06535	4.5
97.10165	8.6
105.07031	34.0
107.04966	9.2
107.08594	12.4
109.06544	7.0
109.10149	5.7
117.07021	11.2
119.07771	3.2
119.08525	14.3
121.06526	3.0
121.10148	4.3
123.08099	5.5
125.09641	8.2
129.06985	9.5
131.08557	6.6
133.10089	6.3
135.08153	3.8
143.08540	6.2
145.10120	9.2
147.11684	19.7
159.11674	4.4
161.09654	3.3
161.13197	7.5
171.11691	18.9
171.88313	2.8
184.07542	2.9
189.12704	6.7
205.12355	3.9
207.13835	22.0
223.13290	36.3
227.12878	4.6
229.14345	5.3
231.68956	3.2
279.16013	4.1
281.17487	39.5
297.17029	40.7
419.74625	3.2
435.27347	15.1
436.38657	2.9
485.28577	5.8
503.30008	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.5
55.05506	0.6
65.27587	0.3
67.05511	1.5
69.07060	0.6
69.84244	1.3
70.91705	0.3
79.05492	1.1
81.03412	0.4
81.07059	1.4
89.06244	0.3
91.05491	1.1
93.07043	0.9
95.04938	0.3
95.08614	0.9
104.87378	0.3
105.07059	0.6
107.08602	0.5
109.10152	0.5
119.08589	0.7
131.08585	0.4
157.10139	0.5
159.11700	0.3
169.10081	0.4
185.04283	0.7
203.05283	1.7
259.07913	0.9
321.22748	0.5
347.09479	1.0
365.10583	3.5
386.74393	0.3
421.13077	0.8
501.67682	0.3
539.31909	17.8
540.32312	1.0
614.08661	0.3
701.37183	100.0
702.37622	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	702.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.5
55.01877	4.7
55.05515	50.6
57.03440	14.9
57.07074	3.6
59.04999	2.3
61.02934	3.4
65.03937	2.0
67.05510	51.9
68.05843	1.2
69.03426	6.2
69.06726	1.2
69.07076	17.6
69.83519	1.2
70.62838	3.2
71.05019	2.5
73.02909	1.4
79.05499	36.4
81.07061	50.3
83.04980	5.5
83.08622	32.3
85.02920	3.0
85.06546	2.5
86.09743	1.7
89.06078	2.5
91.05491	13.0
93.07050	35.7
95.04945	3.3
95.08613	30.6
97.02891	3.3
97.10178	66.3
103.05447	1.1
105.07037	12.1
107.08598	33.0
109.06488	2.0
109.10155	14.3
111.08078	3.3
117.07027	7.3
119.08585	6.6
121.10151	16.4
123.08050	1.3
123.11729	4.1
124.99952	1.5
125.09638	62.2
129.77803	1.3
131.08560	5.5
133.08597	1.6
133.10141	9.6
135.08034	6.7
135.11702	8.1
137.09662	1.8
137.13287	1.4
143.10701	3.9
145.10182	5.8
147.11684	4.1
149.13284	5.0
153.09109	4.0
159.11778	2.3
161.13293	2.8
163.14819	3.7
171.10193	3.8
173.13326	3.5
184.07216	1.5
187.14886	3.1
189.11230	45.5
189.12926	2.7
227.12790	81.3
227.20070	11.0
233.22653	1.6
243.21092	6.9
245.13864	100.0
246.14229	1.8
247.14009	1.3
261.22183	25.2
279.23267	2.6
317.24780	3.8
335.25821	88.9
336.26089	3.4
408.12744	1.2
431.31635	1.4
487.34521	5.7
505.35263	64.3
506.35309	2.9
523.36456	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	699.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.7
53.51041	0.9
55.01863	1.6
55.05514	9.5
57.03443	6.5
57.07079	23.7
65.03951	1.4
67.05507	26.5
69.07070	10.1
71.08276	1.6
71.08634	19.0
71.57710	1.1
77.03878	1.1
79.05495	28.3
81.03417	3.7
81.07062	25.1
83.04998	6.2
83.08627	8.1
85.06545	1.2
85.10181	8.3
89.06031	1.9
91.05483	23.1
93.07048	24.2
94.58981	1.1
95.04966	7.3
95.08611	21.7
95.65110	1.0
97.06544	2.1
97.10152	4.5
105.07034	17.2
107.04933	3.0
107.08609	5.6
109.06528	1.9
109.10192	6.9
115.05479	1.6
117.07017	4.1
119.08586	9.3
121.06525	1.8
121.10168	1.4
123.08075	2.7
123.11714	2.0
127.07554	1.0
127.37030	0.9
127.70061	1.0
128.06258	1.1
129.06995	6.6
129.21858	0.9
131.08598	1.1
133.10129	3.6
135.43489	0.9
143.08583	5.0
145.10123	5.1
145.16481	0.9
147.08047	1.7
147.10622	1.6
147.11693	15.9
161.09651	2.1
161.13248	3.3
166.81670	0.9
171.11699	8.2
189.12726	3.9
197.75024	1.0
199.01845	1.1
207.13809	10.8
224.79189	0.9
257.24695	1.0
281.17480	22.6
295.68173	1.1
313.27377	50.8
314.27756	1.4
323.19534	1.0
497.38260	1.0
519.40485	100.0
520.40527	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	699.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85093	0.3
55.05512	0.5
67.05497	0.8
69.07072	0.3
69.34779	2.6
70.08188	0.2
70.90797	0.2
74.40688	0.3
79.05489	1.0
80.05849	0.3
81.07056	0.9
85.02881	0.4
91.04206	0.3
91.05466	1.4
93.07043	1.2
94.07410	0.3
95.04977	0.4
97.36439	0.2
98.21532	0.5
103.36835	0.3
105.07043	0.8
107.08611	0.4
109.06495	0.3
118.64644	0.3
119.08585	0.6
121.10162	0.3
147.11748	0.8
156.45648	0.3
171.11679	0.8
185.04236	0.8
189.12762	0.3
202.01108	0.3
207.13806	0.4
263.22772	0.3
281.17642	1.3
282.17908	0.9
297.07999	0.4
301.20163	0.5
347.09598	0.8
360.16464	0.3
399.46054	0.3
487.30719	0.9
488.31079	1.8
537.30396	16.7
538.31042	1.2
569.23950	0.4
699.35626	100.0
700.35980	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	699.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54369	0.2
55.05512	0.3
67.05494	0.7
69.07024	0.2
71.56147	0.2
79.05488	0.3
81.07050	0.6
93.07051	0.3
95.08598	0.3
107.08620	0.3
113.43834	0.2
117.07027	0.2
133.03401	0.2
148.76337	0.2
185.04224	0.7
203.05330	1.7
216.66815	0.2
259.07913	1.1
301.20291	0.3
305.08398	0.4
327.90100	0.2
347.09561	1.3
360.66403	0.3
365.10574	3.0
375.25330	0.3
421.13263	0.9
500.78741	0.2
537.30353	17.0
538.30670	0.9
639.70007	0.2
699.35577	100.0
700.35895	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.7
55.01865	3.5
55.05515	19.3
57.01435	1.4
57.03446	14.1
57.07072	3.2
57.57928	1.1
61.02922	7.3
65.03949	1.8
67.05510	68.3
69.03434	3.0
69.07074	18.8
71.04993	3.3
73.02916	2.1
79.05501	65.1
79.05963	3.3
81.03415	6.0
81.07064	90.3
83.04974	3.8
83.08624	16.3
83.10368	1.3
85.02897	6.9
85.06538	4.0
86.09700	3.0
91.05488	34.7
93.07051	74.0
95.04967	6.5
95.08614	38.2
95.09225	1.8
97.02888	5.2
97.06538	6.8
97.10162	2.2
99.08102	2.8
105.04536	2.0
105.07043	16.0
107.08606	27.8
109.06518	2.2
109.10157	11.8
111.08092	3.0
117.07026	8.6
119.08578	9.8
120.61138	1.3
121.06512	1.7
121.10146	31.9
123.08048	2.5
123.11722	6.2
125.09657	1.4
129.05438	1.2
131.08578	15.7
133.10164	17.5
135.08022	1.7
135.11710	17.0
137.13295	2.1
139.11137	2.5
145.10143	10.2
147.04424	2.6
147.11731	4.2
149.09612	2.5
149.13268	12.6
151.11235	2.7
155.33038	1.3
157.10095	1.5
159.11697	12.5
163.11136	1.7
171.11743	1.4
172.34525	1.4
173.13283	5.1
177.12810	2.5
184.07359	5.2
195.13837	10.0
215.17961	11.6
233.19040	10.8
236.14948	1.8
241.14389	5.7
269.17511	53.9
293.17392	2.5
304.58148	1.5
307.22690	99.6
308.23016	2.0
335.26047	3.4
347.22083	2.1
409.31082	2.5
501.35797	100.0
502.35870	4.8
580.68616	1.4
698.47870	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.9
53.51925	1.0
55.01875	1.8
55.05520	13.1
57.03445	11.8
57.07077	2.6
61.00364	1.1
61.02917	4.3
65.03934	3.2
67.05510	55.1
69.06717	1.3
69.07069	15.2
69.41300	8.4
70.07947	1.0
70.25566	1.1
71.04985	4.3
71.08632	1.2
74.97478	1.1
76.73470	1.0
79.05499	47.9
81.03419	1.8
81.07062	59.9
83.04964	4.9
83.08624	10.4
85.02895	3.7
85.06532	3.2
91.03933	1.9
91.05486	22.9
93.07054	60.1
95.04977	5.3
95.08617	23.6
97.02863	2.2
97.06554	8.4
99.08080	3.8
105.07044	12.8
107.08611	25.0
109.06511	1.5
109.10152	8.4
111.08078	4.1
116.39915	0.9
117.07007	8.0
118.92640	1.1
119.08591	8.9
119.47855	1.2
121.09303	2.0
121.10145	28.7
123.08094	1.8
123.11696	4.2
123.34293	1.1
124.67840	0.9
125.09631	1.1
129.06975	1.1
131.08569	10.2
133.10139	8.5
135.08040	1.2
135.11697	13.0
137.13213	1.3
139.11108	1.2
143.08578	1.1
145.10127	5.8
147.11702	4.6
149.09645	1.5
149.13290	17.4
151.15517	1.0
159.11694	10.8
161.13246	1.2
163.11227	1.3
167.10722	1.2
173.13268	3.1
177.12769	4.7
181.71724	1.1
184.07410	3.0
190.24902	1.1
195.13837	7.0
213.14783	1.5
215.17961	10.0
233.19002	10.8
239.47131	1.2
241.14452	6.2
267.15958	1.8
269.17508	52.2
270.17615	1.1
289.21674	1.4
307.22687	57.6
308.23035	1.9
409.31030	1.6
416.45074	1.2
501.35782	100.0
502.36014	6.1
543.68628	1.2
677.08569	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59727	1.8
53.03939	2.5
55.05515	25.6
57.03429	6.5
57.07082	17.7
61.02928	25.2
65.03932	1.4
67.05173	2.1
67.05510	34.4
69.03418	3.5
69.07072	51.0
70.10453	2.8
70.10864	4.9
71.04986	3.1
71.08263	2.1
71.08631	11.9
73.02917	11.4
75.04475	2.6
79.05491	14.7
81.03400	2.3
81.07060	44.9
83.08625	40.1
84.04340	1.4
85.02425	3.0
85.02911	34.9
85.06531	2.9
85.10159	6.3
91.03958	27.0
91.05476	2.8
93.07047	20.6
95.08614	46.4
97.02894	15.3
97.06532	6.9
97.10175	23.3
99.04421	2.3
105.07041	1.7
107.08591	16.9
109.10168	23.8
111.08060	5.4
111.11731	8.6
113.09658	1.5
121.10149	34.0
123.11719	8.6
125.09624	3.0
125.13248	2.4
127.03937	7.9
135.11708	29.8
137.13229	3.0
139.11217	3.2
145.04993	16.4
149.13237	12.0
151.14815	5.9
163.06020	24.4
163.14836	7.1
165.16408	4.7
177.16243	2.9
186.75008	1.8
191.17912	2.8
237.65067	1.9
247.24243	37.8
265.25281	100.0
274.29019	1.8
283.26355	19.0
301.24597	1.5
339.28973	97.1
340.29181	2.2
357.30014	53.5
514.56445	2.2
560.38904	1.6
623.69830	1.6
660.26587	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	698.375
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38490	2.1
52.46875	2.5
52.48561	2.3
53.03942	5.3
55.01877	16.2
55.05521	33.2
57.03434	10.1
59.43261	2.8
61.02929	7.7
65.03937	2.7
67.05511	39.1
69.03429	6.3
69.07066	9.9
69.29706	23.1
71.05006	5.1
79.05504	56.4
81.03434	14.3
81.07071	31.7
83.01333	3.6
83.04983	15.9
83.08626	14.7
85.02915	10.2
91.05494	54.6
92.50022	2.3
93.07061	30.4
95.04974	22.8
95.08611	19.0
97.02905	5.0
97.06540	10.7
97.10175	20.7
99.04476	2.8
101.83857	2.6
105.07047	30.2
107.04964	14.0
107.08589	18.3
109.06508	5.4
109.10164	7.3
111.04443	9.9
111.08107	8.5
115.05466	9.4
117.07037	43.9
119.08598	16.0
121.06522	13.4
121.10150	13.6
123.08090	8.4
125.09644	12.6
127.03922	3.0
128.06229	7.7
129.05525	3.1
129.07011	28.5
131.04951	3.9
131.08606	25.2
133.06514	9.9
133.10136	6.6
135.08054	6.7
135.11700	7.4
138.83199	2.3
141.07018	18.4
142.07809	4.5
143.08565	14.1
145.06500	8.6
145.10147	19.6
147.04465	2.9
147.08086	8.0
147.11699	5.0
149.09644	7.2
153.07025	3.1
153.09093	2.6
153.12704	5.4
155.08603	23.2
157.06538	11.2
157.10127	13.7
159.08032	7.0
159.11726	5.5
161.09689	5.4
163.11212	15.2
165.07008	6.2
166.07706	4.5
167.08578	8.9
169.06532	5.4
169.10133	7.6
171.08060	6.2
171.10359	3.2
171.11685	11.9
173.09657	8.8
173.13295	4.7
175.11229	3.8
179.08548	10.8
181.06627	2.8
181.10130	14.0
181.12238	6.5
183.08099	6.9
183.11688	8.9
185.09743	5.7
189.11226	8.6
191.08629	3.6
191.10695	4.8
193.10190	2.9
193.12277	3.7
195.08102	7.4
195.11665	7.8
197.09627	4.7
197.13365	3.5
199.11220	10.1
201.12836	8.3
203.08586	2.5
205.10228	5.7
205.12187	3.1
209.09750	3.4
211.11285	4.1
217.12169	3.6
219.11646	5.4
219.13676	3.4
221.09654	3.1
221.13370	5.0
223.13330	3.1
227.12836	15.9
237.12852	3.9
239.14406	12.6
267.16159	3.6
271.17062	3.7
283.15381	30.7
287.16287	2.7
293.17551	11.0
295.16898	2.9
307.16937	5.4
313.18182	3.3
325.17947	5.9
363.23221	4.3
373.21680	15.4
391.22668	41.4
399.21545	3.6
409.23788	10.8
427.24701	8.0
465.26273	9.8
483.27487	74.5
484.27536	2.6
496.93991	2.5
501.21161	5.5
501.28525	100.0
502.28702	5.7
519.29828	2.9
603.59613	2.8
698.33783	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	698.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08509	1.5
53.03954	2.0
55.01883	2.0
55.05518	31.9
57.03444	10.1
57.07082	17.6
61.02935	26.6
61.42748	1.6
63.81017	1.3
64.75996	1.6
67.05511	38.2
69.03448	3.6
69.07074	54.6
69.87817	8.2
70.58801	1.3
71.05008	3.2
71.08643	11.0
73.02918	7.9
75.04485	1.7
79.05507	15.0
81.03429	2.1
81.07062	46.2
83.08628	41.3
85.02919	26.4
85.10181	6.7
91.03963	24.0
91.05478	4.0
93.07060	21.5
95.05003	2.4
95.08617	51.8
97.02908	16.7
97.06555	7.6
97.10191	26.6
98.20833	3.0
99.04447	1.7
99.08132	3.1
105.03409	2.4
107.08607	16.7
109.02858	1.9
109.10168	30.5
111.08103	4.5
111.11757	8.6
121.10156	37.7
123.11699	9.8
125.09667	2.5
125.13262	2.3
127.03918	11.2
129.09207	1.5
133.63953	1.5
135.10713	1.7
135.11713	31.1
137.13281	4.4
139.11186	2.0
145.04971	14.2
149.13248	11.1
151.14851	4.8
163.06041	15.3
163.14804	7.5
165.16402	4.1
175.11879	1.5
177.16418	4.1
184.07343	1.7
191.17998	2.1
199.16968	2.1
205.19540	1.9
247.24231	36.4
265.25290	97.1
266.25653	2.2
283.26282	15.1
289.04645	1.5
339.28970	100.0
340.29245	2.9
357.30029	51.7
366.04382	1.5
433.45615	1.8
501.33990	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	698.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00293	1.0
53.03943	2.9
55.01870	8.4
55.05513	14.4
57.03437	6.4
60.11235	1.1
61.02943	2.7
65.03935	1.9
65.35390	1.0
67.05511	22.9
69.03431	4.0
69.07073	5.6
71.04983	2.5
73.02917	1.9
79.05496	33.4
81.03413	7.2
81.07066	17.4
83.01360	3.0
83.04988	10.3
83.08617	10.9
85.02925	5.1
85.06541	3.2
91.05482	29.7
93.07048	25.2
95.04972	8.3
95.08603	10.1
97.02910	3.0
97.06550	8.1
97.10175	9.7
99.04477	1.1
103.03988	1.3
103.05496	2.0
104.52140	1.0
105.07047	14.5
105.52468	1.0
107.04948	7.2
107.08615	16.6
109.06528	4.2
109.10171	3.3
111.04447	8.2
111.08089	4.2
115.05456	4.5
116.06229	1.2
117.07022	28.3
119.04905	1.2
119.08592	10.4
121.06502	6.2
121.10155	12.5
123.04449	1.1
123.08085	6.0
125.09631	9.8
127.03938	1.6
128.06273	2.1
129.05527	2.3
129.07011	10.5
130.07817	1.4
131.04912	2.5
131.08574	16.4
133.06509	2.9
133.10115	3.0
135.08069	9.5
135.11688	6.4
136.59740	1.0
137.09639	1.3
139.07506	1.2
141.06985	7.3
142.07785	1.7
143.08566	4.2
145.06493	4.6
145.10127	13.2
147.08070	3.9
147.11647	1.9
149.09608	5.9
153.07010	1.6
153.09102	1.5
153.12776	3.7
154.07890	1.3
155.08574	9.3
157.06488	2.9
157.10123	6.7
159.07999	2.5
159.11699	3.7
161.09694	2.5
163.11198	11.4
165.07063	1.2
167.08565	3.9
168.09265	1.8
169.10129	4.1
171.08070	2.3
171.11746	2.7
173.09686	5.7
173.13300	4.7
175.11160	1.4
179.08604	1.3
181.06566	1.1
181.10161	4.2
181.12253	4.0
183.08083	1.1
183.11693	8.4
185.09621	1.8
189.11247	6.3
191.10683	4.2
193.10100	2.6
195.08084	1.3
195.11720	2.8
197.09636	1.3
199.11223	2.0
201.12747	7.8
205.10123	1.6
205.88591	1.2
209.11687	2.6
211.11020	1.4
219.11749	1.9
219.13768	2.6
221.13281	2.7
223.11217	4.0
227.12773	11.9
237.12830	1.7
239.14372	5.1
241.12314	2.6
245.13753	2.0
255.14008	1.2
257.15408	3.3
259.13181	1.2
261.14743	1.4
274.61713	1.3
275.16467	2.1
283.15436	20.3
293.17496	11.5
345.22281	1.5
373.21683	2.9
381.23904	1.3
391.22763	6.7
409.23837	6.0
427.24664	4.5
438.87677	1.2
457.25858	1.8
465.26013	2.2
483.27350	20.7
491.74918	1.3
501.28500	100.0
502.28885	3.8
519.29529	14.3
698.33710	3.1
699.33649	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.0
55.01877	18.8
55.05512	39.3
57.03429	9.6
61.02919	9.5
65.03954	4.6
67.05181	2.7
67.05515	45.9
67.39747	2.6
69.03419	7.5
69.07092	13.8
70.17090	5.8
70.17484	5.4
71.04995	5.6
75.62706	2.6
79.05056	4.2
79.05502	67.4
79.54281	2.4
81.03425	19.8
81.07066	37.9
82.18584	2.3
83.01376	3.8
83.04986	18.8
83.08615	23.5
85.02925	12.8
91.05486	63.0
93.07052	46.4
95.04976	26.3
95.08619	23.1
97.02888	4.1
97.06515	11.1
97.10178	27.1
103.05470	6.4
105.03390	8.0
105.07037	38.1
107.04995	13.9
107.08595	25.3
109.02887	5.4
109.06527	10.6
109.10132	12.5
111.04436	9.5
111.08095	6.6
115.05483	12.5
117.07024	46.8
119.04895	3.1
119.08603	19.0
121.06539	15.2
121.07277	2.4
121.10145	15.4
123.08070	15.3
125.09624	20.1
128.06227	7.1
129.07014	39.9
130.07716	3.6
131.04907	6.4
131.08582	27.2
133.06490	12.7
133.10181	5.9
135.08090	14.7
135.11685	9.9
141.07022	20.2
142.07782	4.3
143.08572	14.7
145.06465	12.3
145.10135	16.1
147.08046	7.2
149.09624	5.7
153.06969	11.1
153.09082	3.8
153.12769	8.7
155.08591	25.6
157.06552	14.2
157.10066	13.5
159.08038	7.6
159.11679	6.1
161.09544	3.7
163.11218	14.5
165.06972	5.9
166.07816	3.3
167.08551	11.6
168.09254	2.4
169.06458	5.5
169.10110	12.0
171.08066	9.9
171.11685	12.0
173.09636	9.2
173.13249	6.4
179.08554	9.0
181.06490	4.8
181.10143	16.3
181.12231	5.2
183.08044	7.5
183.11676	8.8
185.09621	5.5
187.11206	5.2
189.11230	9.6
191.08646	2.7
191.10677	4.6
193.10143	10.1
193.12157	5.5
195.08080	8.3
195.11713	8.7
197.09636	6.1
199.11186	19.1
201.12787	5.0
203.08476	3.2
205.10207	6.3
209.09766	4.8
209.11555	3.8
211.11200	5.7
211.14871	4.2
217.12245	3.0
219.11670	7.3
221.11455	3.3
221.13261	8.2
223.11143	9.6
223.13210	5.2
227.10692	3.8
227.12648	13.5
235.11261	4.7
237.12775	4.3
239.14375	11.2
247.11192	3.3
261.12634	4.9
265.12228	4.0
267.16013	5.6
269.15381	6.9
279.13632	5.1
281.15201	3.6
283.15457	18.2
287.16406	4.9
293.17639	7.0
307.16763	5.6
325.17999	7.0
332.17505	2.9
345.21942	3.5
363.23376	5.0
373.21664	24.8
391.22675	53.0
392.22943	3.3
409.23749	19.0
417.22998	3.9
427.24744	7.9
455.27676	3.2
465.26276	14.2
483.20825	4.9
483.27469	93.9
484.28201	4.8
501.28513	100.0
502.28491	7.6
517.82684	2.8
519.29199	9.0
568.98663	3.2
698.34137	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	696.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	15.0
56.49927	2.8
57.03430	9.2
57.07067	8.5
61.02929	25.6
64.13979	2.7
67.05171	4.1
67.05510	65.8
69.07074	20.9
70.96857	7.2
73.02908	8.5
79.05495	18.7
81.03429	2.9
81.07064	84.1
83.04991	3.3
83.08625	21.5
85.02914	27.8
91.03960	24.3
91.05484	15.1
93.07050	24.5
95.08613	74.7
97.02879	15.2
97.06544	8.8
97.10162	13.4
99.08102	3.3
105.07051	6.8
107.08604	17.7
109.10161	38.1
111.08083	6.2
111.11703	3.5
119.08578	8.5
121.10155	21.8
123.11725	16.7
123.12484	2.7
123.54414	3.3
127.03902	9.6
131.08606	3.3
133.10181	17.8
135.11723	14.7
137.09708	2.8
137.13258	8.6
141.12703	4.1
145.04990	14.8
147.11691	13.2
149.13272	12.0
151.14824	5.9
155.14264	5.7
161.13254	15.6
163.06013	20.0
163.14815	12.5
165.16397	10.0
175.14853	7.9
179.17949	8.2
189.16336	6.6
217.19576	3.7
245.22673	67.3
263.23715	100.0
265.25192	3.1
275.37750	3.4
281.24762	3.3
337.27405	47.3
355.28488	10.9
358.08780	2.6
441.86691	2.6
524.39825	3.3
657.98096	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	696.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72612	1.2
53.03936	1.7
55.05515	14.4
56.75165	1.3
57.03440	6.0
57.07073	10.4
61.02933	28.2
61.42892	1.2
64.08555	1.1
65.03960	1.3
67.05508	64.5
69.03422	3.4
69.07072	21.1
69.72145	7.3
71.04980	3.5
71.08622	4.9
73.02918	9.5
75.74725	1.3
79.05501	21.3
81.07061	77.8
83.08622	15.2
85.02911	33.0
85.06537	2.0
85.10157	2.9
91.01574	1.1
91.03957	26.6
91.05486	14.5
91.06015	1.8
93.07051	23.6
95.04957	2.6
95.08613	73.5
97.02895	13.2
97.06535	6.7
97.10181	8.6
99.04482	1.9
99.08086	2.9
105.07047	12.7
107.08591	18.9
109.02952	1.1
109.06554	1.6
109.10164	38.7
111.08092	3.0
111.11737	3.4
113.09632	3.5
119.08578	11.4
121.10168	21.4
123.11711	18.7
125.13272	1.3
127.03937	10.3
133.10144	16.8
135.11716	11.2
137.13249	8.1
139.11115	1.3
141.12793	2.6
145.04991	15.9
147.11694	11.1
149.13258	13.2
151.14803	5.7
153.12857	1.5
155.14297	2.9
161.13263	12.7
163.06035	20.3
163.14841	10.5
165.12788	1.4
165.16434	9.5
167.14302	1.6
175.14833	10.3
177.16414	2.6
179.14395	1.4
179.17958	10.4
181.15947	2.1
189.16432	4.8
203.17961	3.2
207.17596	1.5
217.19377	1.7
243.01033	1.4
245.22665	75.5
246.23051	2.6
263.23715	100.0
264.24039	3.4
265.25333	3.1
281.24960	2.8
337.27383	44.6
347.83182	1.5
355.28412	12.8
406.38913	1.3
499.32678	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	696.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64433	5.5
55.01866	9.5
55.05502	25.1
57.03424	25.2
57.07072	8.1
61.02921	35.7
65.03948	5.8
67.05508	97.3
69.03426	23.6
69.07072	35.9
71.04999	7.6
71.14528	10.4
73.02917	17.3
74.60970	6.3
75.04484	13.2
77.52236	5.7
79.05499	42.2
81.03427	34.0
81.07058	100.0
83.04983	15.1
83.08627	27.5
83.09073	5.3
85.02903	76.8
91.03967	42.0
91.05473	42.7
93.05521	59.7
93.07044	48.4
95.04974	12.3
95.08607	85.4
97.02884	42.8
97.06551	8.0
97.10168	14.9
99.04445	9.4
105.07037	37.3
107.08605	39.8
109.02845	7.3
109.06506	8.9
109.10181	31.8
111.04464	12.7
111.08065	7.6
117.07038	17.3
119.08578	27.4
121.06487	7.1
121.10139	24.1
123.11696	14.5
125.09626	7.1
127.03888	29.1
129.05505	8.7
129.07051	6.9
131.08592	31.7
133.10130	18.5
135.11682	6.0
137.09587	9.3
141.25879	5.8
143.08546	5.9
145.04955	20.1
145.10135	28.7
147.08061	9.3
147.11703	11.6
149.13272	13.4
151.11215	7.7
159.11699	10.6
161.13281	14.7
163.06038	58.7
163.14861	6.5
171.08116	6.9
171.11734	5.7
173.13257	9.2
175.14827	12.0
177.12701	6.2
178.38383	5.6
187.14757	5.4
199.14839	9.0
245.22597	10.5
255.10776	6.8
261.22089	11.2
263.23767	11.1
275.23755	6.9
277.14310	7.3
279.23102	8.7
287.23672	5.8
291.23270	8.5
293.24536	7.6
305.24786	19.3
315.23260	9.0
321.24207	10.1
329.19159	6.0
329.24622	6.3
343.26340	10.2
347.25751	10.1
353.24890	15.3
354.16693	6.1
371.25830	73.2
389.26941	68.1
407.27908	87.9
425.29095	32.5
436.00562	6.7
632.81122	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	693.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66468	2.8
53.03941	3.1
55.05531	12.9
57.03428	9.6
57.07074	4.6
67.05169	3.6
67.05508	54.7
69.03413	3.5
69.07065	11.8
71.57440	2.7
71.57880	3.4
79.05492	35.9
81.03423	14.4
81.07059	41.8
83.04968	13.9
83.08614	4.3
85.02927	2.8
91.05488	100.0
93.07043	38.4
95.04964	9.0
95.08607	26.8
97.02854	3.7
97.06490	3.8
103.83976	2.5
105.07030	35.6
107.04963	13.2
107.08610	17.9
109.06525	4.6
109.10163	9.0
117.07007	11.4
119.08614	15.6
121.10165	12.8
123.11717	3.0
131.08582	13.5
132.60831	3.0
133.06551	2.9
133.10132	39.4
135.08031	5.9
135.11696	5.8
143.08574	3.5
145.10123	6.4
147.11636	5.6
149.09628	7.0
149.13264	6.3
151.11159	4.2
159.11800	3.6
161.08435	2.5
161.09538	13.9
161.13249	2.8
174.09663	2.8
179.10655	13.8
199.04135	2.8
253.14365	67.6
261.22189	9.7
266.35654	3.1
335.25809	36.6
513.29004	4.8
513.35852	54.5
562.66925	2.9
633.62152	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	694.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.8
55.01873	8.4
55.05515	32.7
57.03442	32.3
57.07061	6.9
59.04989	2.9
61.02930	51.1
65.03934	4.2
67.05507	87.3
69.03436	33.7
69.07072	32.3
69.63259	10.9
71.01365	2.6
71.04995	8.5
73.02922	21.3
75.04491	21.3
79.05140	1.7
79.05495	79.9
81.03420	35.7
81.07062	100.0
83.04976	13.5
83.08618	18.2
85.02910	85.5
85.06541	4.8
91.03961	62.6
91.04903	2.3
91.05481	62.8
93.05518	79.2
93.07051	95.3
95.04971	19.7
95.08609	77.0
97.02905	42.3
97.06531	8.0
97.10174	9.0
98.21469	4.5
99.04456	11.8
99.08111	5.4
103.03928	9.0
105.07037	63.8
107.04961	8.0
107.08601	62.0
109.02885	10.0
109.06513	9.6
109.10155	34.5
111.04408	13.8
111.08042	6.0
115.03968	4.9
117.05531	3.4
117.07020	37.9
119.08583	51.9
121.06524	9.8
121.10154	49.5
123.04456	5.3
123.08084	6.6
123.11725	14.8
125.06007	3.2
125.09641	5.2
127.03922	33.5
128.06229	5.1
129.05482	7.9
129.07028	18.7
130.07846	3.0
131.04921	2.6
131.08568	54.0
133.06505	10.7
133.10129	38.0
135.08075	8.2
135.11705	32.2
137.06027	2.5
137.09631	6.0
139.07599	2.4
141.06960	4.5
143.08563	23.1
145.04961	31.7
145.06522	4.0
145.10139	40.5
147.04350	2.4
147.08110	7.3
147.11708	29.2
149.05972	2.2
149.09657	5.7
149.13239	16.1
151.07561	4.5
153.09264	2.9
154.07909	2.4
155.08583	7.5
157.06445	2.4
157.10115	15.3
159.08067	5.9
159.11697	29.3
161.06046	3.2
161.09662	6.2
161.13252	14.5
163.06035	67.5
163.11223	4.6
163.14847	7.2
165.07016	3.1
165.09184	3.6
165.12802	2.3
167.08530	3.9
169.10132	11.6
171.08052	6.4
171.11693	17.3
173.09605	2.9
173.13249	26.5
175.11232	7.0
175.14804	6.8
177.12657	2.1
177.16353	3.4
181.10130	5.9
183.08260	3.2
183.10231	2.4
183.11745	9.0
185.09610	5.1
185.13206	14.3
187.11205	5.7
187.14883	9.8
189.12773	4.8
191.14278	2.6
193.10330	2.5
193.12206	4.4
195.11697	6.5
196.64685	2.5
197.09621	4.5
197.13342	4.7
199.11238	4.9
199.14871	9.0
201.12801	2.9
201.16431	5.3
203.14313	2.6
205.12180	3.3
207.11850	3.0
207.13756	2.7
209.13245	3.3
211.11180	2.6
211.14993	2.8
213.16373	2.6
215.05009	2.2
221.13380	3.7
225.12811	3.1
227.14342	3.1
233.15329	4.0
235.13286	4.4
241.19548	4.3
243.21141	8.2
249.14839	5.2
255.10791	13.1
257.15317	2.7
259.20563	13.5
261.22195	25.6
271.20615	5.3
273.22232	6.3
275.23682	2.2
277.14328	7.2
277.21686	10.9
283.20697	3.4
285.22119	4.9
289.18292	2.6
289.21622	10.5
291.23270	13.0
291.26273	3.3
301.21457	11.9
303.23239	18.8
309.22101	2.8
313.21512	6.1
315.23096	16.3
317.24597	3.3
319.22571	7.4
323.23776	4.9
325.21631	3.8
327.23163	8.0
331.22586	6.2
333.21832	2.6
335.25790	3.2
341.24738	11.3
345.24286	8.5
351.23074	18.5
359.25793	5.8
369.24258	62.3
370.24911	2.8
387.25284	57.1
388.21222	2.6
388.25745	2.7
405.26346	88.1
406.26617	2.6
423.27365	32.2
513.28406	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	693.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	1.0
69.48260	4.2
79.05493	1.2
81.07018	1.1
91.05499	0.7
93.07064	1.3
95.08589	0.8
98.20750	1.1
118.70399	0.6
143.88835	0.6
312.75677	0.6
693.34558	100.0
694.35040	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	693.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.5
53.03938	6.2
55.01872	2.4
55.05517	16.3
56.56318	1.6
65.03939	2.4
67.05513	57.0
67.05871	3.4
69.03426	2.0
69.07068	10.3
70.02164	3.0
70.02557	3.5
79.05500	68.2
81.03417	7.6
81.07064	52.7
83.04980	7.6
83.08608	6.6
85.06533	3.5
91.05492	48.7
93.07053	64.5
95.04980	14.1
95.08616	31.1
95.85146	1.4
97.02877	2.5
97.06540	3.0
97.10136	2.6
99.08106	2.1
105.04507	2.0
105.06380	2.6
105.07038	35.8
107.04936	5.3
107.08609	17.1
109.06516	4.6
109.10155	8.1
111.08084	1.6
117.07040	9.6
117.07719	1.6
119.05069	1.7
119.08591	20.9
121.06498	1.9
121.10136	19.3
122.27203	1.6
123.08052	4.8
123.11699	3.7
129.07034	7.6
131.08542	7.8
133.10136	15.0
135.11690	6.8
137.09573	1.6
143.08565	4.7
145.02879	1.4
145.10152	9.8
147.04396	2.3
147.08035	2.4
147.11702	16.9
149.09622	2.2
149.13231	4.9
159.11688	4.2
161.09647	5.0
161.13264	7.2
171.11719	14.0
173.13252	2.3
177.05542	1.9
189.12703	4.8
207.13808	16.2
215.18033	8.3
218.59593	1.6
233.18996	3.1
253.14278	5.8
279.15607	2.0
281.17474	28.7
307.22702	54.8
308.22842	1.9
513.35815	100.0
514.35889	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	692.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72091	1.6
53.03949	4.8
55.01865	2.7
55.05515	22.9
57.03175	2.3
57.03437	20.4
61.02928	5.9
65.03951	2.0
67.05508	33.4
69.03432	6.8
69.07074	9.9
69.41286	10.1
69.41695	2.3
71.05009	5.8
73.02912	1.5
79.05501	37.7
79.75368	1.5
81.03425	97.8
81.07063	42.1
83.04985	26.3
83.08626	32.8
85.02910	35.9
85.06532	2.5
91.03979	2.7
91.05490	47.2
93.07050	25.2
95.04980	41.8
95.08611	15.0
97.02901	9.6
97.06546	5.8
97.10181	7.8
105.07049	37.2
106.07359	1.5
106.72810	1.5
107.04981	11.3
107.08601	16.1
109.06524	8.2
109.10163	4.2
111.04435	3.5
111.08092	13.5
113.05991	3.4
114.31071	1.7
115.05469	3.1
115.08037	1.4
117.06994	4.0
119.08587	27.2
121.06536	3.5
121.10159	14.7
123.08097	4.4
123.11716	4.5
125.09651	4.6
127.03938	2.4
129.07019	16.8
131.08588	17.0
133.06496	4.8
133.10147	17.5
137.09703	2.1
142.07791	3.9
145.10139	5.6
147.08031	3.3
147.11713	24.4
149.09624	8.5
157.10150	25.4
163.11223	3.1
165.12782	3.4
175.11208	20.1
193.12273	70.0
198.47475	1.4
199.31497	1.4
211.13315	100.0
211.54634	1.9
248.16048	1.7
267.15933	37.7
285.16986	80.5
314.05737	1.6
349.21609	1.9
367.22559	4.9
385.23621	5.8
433.26108	2.7
441.26685	2.9
459.27472	29.0
477.28537	34.6
478.28787	1.9
495.29599	66.4
496.29504	2.5
550.98486	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	8.7
57.03442	11.8
57.07080	26.6
61.02925	2.2
63.42870	1.8
67.05511	32.2
69.07070	13.7
69.83340	10.2
71.01358	4.6
71.04972	2.1
71.08636	14.5
71.32114	2.0
75.26150	1.8
78.06001	1.9
79.05502	24.1
81.03432	3.3
81.07059	20.5
83.04984	7.5
83.08617	8.0
85.02942	2.4
85.10172	9.5
91.05484	8.6
93.07062	27.4
95.04971	2.6
95.08614	15.3
97.06534	8.4
97.10172	12.2
98.20780	2.5
104.40607	1.8
105.07065	2.1
105.10768	1.8
107.08607	17.2
109.10156	8.4
117.07003	4.1
117.28113	1.8
119.08572	2.9
121.10148	7.3
123.11670	2.0
132.24759	1.9
135.11707	36.5
138.02409	1.8
145.10094	5.9
155.16678	1.9
163.11168	4.0
181.12248	7.3
181.49208	2.2
184.07343	2.7
199.13329	2.8
209.37880	1.9
228.84592	1.9
235.35536	2.0
247.24275	2.0
255.15929	100.0
313.27399	61.2
313.30136	1.4
313.31079	2.5
325.60532	2.2
418.93811	2.0
493.38962	81.5
494.38931	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	689.426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	12.4
55.01880	7.1
55.05514	26.9
57.03431	12.2
57.71070	3.2
65.03919	9.1
67.05177	3.8
67.05511	69.7
69.03430	29.4
69.07065	27.7
69.26534	19.1
69.26965	9.6
71.04987	13.3
79.05062	4.7
79.05498	66.9
81.03423	100.0
81.07063	73.2
83.04982	21.8
83.08626	21.0
85.02931	19.6
91.04962	6.0
91.05487	62.9
93.07051	70.1
95.04983	25.7
95.08609	41.9
97.02900	22.2
97.06522	9.6
97.10191	5.0
97.97866	3.0
99.04450	8.9
105.06384	4.4
105.07043	51.4
107.04961	10.0
107.08603	30.4
109.02899	17.3
109.06510	8.6
109.10149	16.5
111.04427	10.9
111.08089	10.3
117.07034	16.6
119.08585	35.4
121.06508	4.0
121.10149	28.3
123.08080	5.1
123.11710	7.1
125.09659	3.2
127.03919	11.9
129.07050	16.8
131.08569	30.0
133.06473	5.1
133.10155	21.9
135.08073	6.0
135.11710	16.1
137.09607	5.4
141.07014	7.1
143.08546	8.2
145.06421	3.7
145.10081	20.0
147.08023	4.4
147.11694	24.1
149.09677	6.9
149.13257	7.8
155.08594	3.5
157.10136	19.4
159.11642	14.8
161.13214	4.6
163.11218	7.1
165.12750	7.8
169.10178	5.4
171.07959	4.2
171.11652	8.4
173.04482	6.1
173.09625	5.0
173.13255	10.0
175.11182	13.2
181.10193	3.8
181.12347	4.5
183.11775	3.8
185.13245	7.0
187.14891	3.8
189.11288	3.5
191.10750	5.4
193.12259	44.8
199.14845	5.6
207.11670	3.6
209.13309	4.1
211.13278	68.5
227.12793	6.4
261.22195	7.5
267.15979	13.5
285.16910	5.2
301.21683	5.1
325.57294	3.2
335.25781	16.6
351.23215	3.5
355.17615	5.7
369.24289	9.0
387.25403	4.2
411.20056	3.8
435.32123	3.5
527.37433	16.7
545.38074	6.9
671.41138	9.4
689.42639	80.4
690.43146	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	689.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	14.4
53.57904	2.3
55.01859	7.8
55.05511	31.1
57.03445	14.3
57.07059	6.2
62.45544	2.6
65.03935	5.9
67.05509	78.3
69.03433	34.4
69.07073	21.9
71.04984	8.0
71.07381	4.9
78.77995	2.4
79.05500	73.1
81.03423	100.0
81.06578	4.5
81.07063	79.4
83.04996	21.4
83.08630	21.8
85.02906	18.2
85.06538	5.1
91.05486	68.8
93.07050	60.7
95.04980	34.9
95.08042	3.8
95.08610	47.3
95.49243	2.3
97.02904	17.4
97.06531	8.0
97.10156	8.1
99.04440	6.4
103.05415	2.9
105.07035	47.3
107.04951	10.0
107.08604	31.3
109.02882	19.4
109.06526	9.0
109.10176	15.0
111.04449	15.5
111.08091	13.6
115.05437	5.1
117.07027	16.7
119.07912	3.1
119.08599	38.1
121.06502	4.4
121.10167	28.0
123.08107	5.5
123.11683	8.9
127.03876	12.5
128.06172	4.3
129.07010	16.3
131.08572	33.0
131.55638	2.8
133.06494	6.8
133.10120	23.5
135.08109	3.3
135.11687	17.1
136.82085	2.9
137.09573	5.3
141.06947	7.6
142.07797	3.1
143.08569	8.9
145.06404	3.2
145.10132	17.7
147.04343	2.9
147.08035	8.4
147.11710	26.1
149.09622	6.7
149.13277	5.0
155.08543	6.8
157.06372	2.9
157.10112	15.9
159.07921	2.4
159.11708	8.0
161.09679	4.1
161.13231	7.5
162.66727	2.7
163.11211	6.1
165.12791	4.8
169.10123	7.5
171.11664	4.6
173.04427	5.1
173.09636	4.1
173.13280	6.4
175.11183	14.2
183.11722	5.5
185.13306	5.0
187.14816	4.2
189.12822	2.8
191.10663	4.7
191.14320	3.3
193.12273	39.2
195.11722	2.8
197.13280	4.2
199.14738	3.0
211.13303	52.6
227.12683	4.1
249.14958	3.1
261.22168	6.0
267.15918	8.5
278.56967	2.7
285.16855	7.9
301.21555	6.0
331.13974	3.1
335.25818	12.9
351.23318	5.2
355.17520	3.1
369.24338	7.6
387.25235	4.2
400.56741	3.0
411.20108	6.5
419.17447	2.5
443.27939	2.9
461.28580	5.6
527.37097	10.6
530.64368	2.9
545.38190	8.7
653.40424	6.2
671.41125	8.3
689.31854	4.1
689.42645	70.5
690.43237	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	689.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.01878	0.6
55.05510	0.8
57.03445	1.1
61.02937	3.7
67.05515	3.9
69.03426	2.2
69.07071	0.9
71.04987	0.5
72.22090	0.4
73.02913	2.2
73.78401	0.4
79.05500	5.6
81.03427	1.8
81.07060	3.0
83.05000	1.2
85.02928	2.9
91.03962	2.3
91.05487	3.7
93.07052	5.3
95.04979	2.0
95.08623	2.6
97.02908	2.6
99.04482	0.5
101.02386	1.3
105.07032	3.2
107.04996	0.4
107.08598	1.4
108.63132	0.4
108.99598	0.4
109.06559	0.5
117.07081	0.6
119.08624	2.6
121.06522	0.4
127.03941	0.9
129.07007	1.5
131.08682	0.5
133.10127	1.0
136.01665	0.4
143.08614	0.9
145.10150	1.3
147.11664	2.9
151.16400	0.4
161.13300	1.1
171.11736	2.2
189.12770	0.9
207.13890	0.9
219.03101	0.4
229.53587	0.5
243.08467	2.4
247.13077	2.1
303.15659	0.7
311.11166	0.4
358.74139	0.5
465.20969	13.2
644.20532	0.6
689.35095	100.0
690.35443	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	688.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	8.0
55.01866	3.3
55.05299	1.8
55.05516	19.6
57.03442	11.2
57.07072	1.9
61.02920	2.2
65.03938	3.1
67.05508	49.1
69.03424	4.2
69.07072	16.4
71.04985	4.0
73.06564	2.8
79.05499	70.9
81.03426	53.6
81.07065	49.9
83.04989	17.7
83.08626	20.2
85.02918	16.1
85.06542	3.5
88.67986	1.5
89.66824	1.3
91.05486	60.6
93.07051	63.5
94.26882	1.3
94.48539	1.4
95.04980	32.1
95.08620	27.1
97.02887	4.9
97.06521	4.5
97.10161	4.8
98.36746	1.6
99.04455	1.8
99.08097	1.9
103.05472	1.8
105.07040	46.1
107.04977	8.9
107.08616	15.4
109.06522	9.1
109.10162	5.4
111.04472	3.8
111.08112	7.1
111.11708	2.4
113.05988	2.7
115.05454	3.2
117.07043	9.9
119.07796	2.2
119.08589	32.5
121.06497	4.6
121.10153	8.4
123.08090	7.6
123.11684	2.2
125.09608	3.6
127.07591	2.2
128.06241	3.5
129.07019	20.2
129.12752	3.3
130.07709	1.8
131.08563	13.3
133.06522	3.5
133.10130	17.7
135.11671	3.2
137.09625	2.7
141.07089	1.6
142.07852	1.8
143.08551	6.9
145.10101	9.9
147.08043	5.2
147.11700	39.5
149.02382	3.6
149.09608	4.8
155.08467	1.4
156.09329	1.4
157.10135	10.1
161.09639	5.1
161.13280	7.7
171.11696	20.8
175.11208	9.5
189.11256	1.8
189.12750	8.4
193.12242	27.5
207.13831	28.2
211.13315	28.5
215.14235	1.5
267.15967	25.5
281.17505	100.0
285.16977	30.5
473.29034	80.8
474.29144	2.4
491.30045	84.5
492.30331	4.1
523.79321	1.8
680.35498	1.7
712.73352	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	14.8
55.01856	9.8
55.05513	32.0
57.03430	10.6
57.07057	3.6
65.03918	6.7
67.05177	4.2
67.05510	72.0
68.05843	3.2
69.03433	32.9
69.07069	17.1
70.63354	6.1
70.63725	6.2
71.04982	11.1
79.05070	4.5
79.05498	63.3
81.02976	5.8
81.03423	84.8
81.07063	70.4
83.01348	6.1
83.04990	18.7
83.08623	18.6
85.02904	10.7
91.05481	54.9
93.07051	77.5
93.71149	3.3
95.04990	17.8
95.08607	40.5
97.02914	22.6
97.06496	8.9
97.10159	9.9
99.04453	9.0
105.07030	41.3
107.04940	10.1
107.08604	34.9
109.02872	17.1
109.06522	8.4
109.10161	22.7
111.04417	12.8
111.08070	4.8
117.07015	20.6
119.08575	30.1
121.06513	5.3
121.10156	33.2
123.08090	5.1
123.11689	5.2
125.09650	8.9
127.03912	9.1
128.06212	3.6
129.06984	9.7
131.04871	3.6
131.08601	23.7
133.10115	20.1
135.08055	4.5
135.11703	24.2
139.03949	4.4
143.08514	7.2
145.06511	4.2
145.10147	26.0
147.06409	3.0
147.07990	3.6
147.11668	12.3
149.09579	4.4
149.13278	6.2
153.12724	12.6
155.08513	4.3
156.24895	3.3
157.10162	7.7
159.11690	9.9
161.13261	4.1
163.11198	22.2
169.10188	5.2
171.11722	6.4
173.09586	4.9
173.13332	10.2
175.11211	3.4
181.12279	12.8
185.13116	4.3
189.11270	4.8
191.10625	8.3
195.11601	4.2
209.11649	7.8
214.99649	3.3
221.15321	4.0
227.12825	19.3
229.14380	9.4
230.14740	5.9
237.43318	3.0
243.21021	4.2
261.22211	4.5
283.15350	12.7
299.23575	4.0
335.25714	6.2
336.26056	7.6
353.16019	15.1
369.24179	6.8
490.35983	4.3
543.35962	4.9
669.39746	6.3
687.41089	100.0
688.41644	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	686.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.8
55.05301	1.3
55.05520	15.5
57.03440	13.9
57.07071	3.7
59.04992	3.9
61.02923	5.7
65.03957	2.1
67.05511	100.0
69.03436	1.3
69.07076	9.9
70.18882	3.6
71.04997	3.6
71.08640	1.3
79.05499	24.5
81.03425	2.5
81.07063	42.8
83.04978	3.1
83.08622	9.6
85.02901	3.5
85.06554	3.8
91.05484	18.7
93.07052	30.3
95.04963	2.6
95.08045	2.0
95.08614	29.9
95.68526	1.0
97.02879	2.9
97.06516	2.2
97.10165	3.4
99.08131	1.5
105.07034	9.7
107.08602	18.2
109.06542	1.7
109.10164	73.0
111.08083	3.2
117.07019	3.1
119.08600	11.5
121.10152	10.6
123.11687	4.6
125.09618	2.7
127.03896	1.4
129.05400	1.2
131.08565	3.4
133.10153	6.9
135.11713	12.5
137.09621	2.6
137.13199	1.3
145.10094	5.1
147.11707	3.6
149.13292	4.8
155.10670	3.7
159.11697	3.6
161.13272	4.0
163.11122	1.8
163.14835	3.2
173.11789	18.0
173.13277	3.0
173.40274	1.1
175.14812	1.2
177.16322	1.9
181.12268	1.3
187.14854	1.2
189.11191	1.5
217.64723	1.2
220.46477	1.1
227.12788	4.8
229.14374	88.6
230.14601	1.4
235.20680	1.8
236.31931	1.2
243.21100	4.6
255.15956	17.0
261.22113	13.9
262.06989	1.3
293.20007	1.1
309.24271	10.4
317.24591	2.6
335.25800	58.8
336.26093	1.5
415.31992	2.8
471.34607	1.7
489.35803	65.7
490.35995	3.0
507.36377	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	687.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	14.6
55.01871	7.8
55.05515	35.1
57.03433	6.7
65.03929	4.3
67.05508	70.3
69.03430	27.9
69.07074	18.5
71.04998	10.2
71.57352	3.5
79.05499	74.3
81.03419	80.4
81.07060	62.1
83.01329	3.1
83.04981	22.1
83.08620	12.7
85.02908	8.5
85.06527	2.6
91.05486	55.0
93.07050	73.9
95.04987	17.5
95.08613	45.8
97.02892	23.3
97.06509	11.8
97.10175	8.9
99.04456	7.1
99.08128	2.3
105.04514	2.4
105.07032	35.8
107.04981	10.5
107.08597	35.7
109.02861	15.6
109.06496	11.9
109.10164	17.0
111.04462	11.9
111.08099	5.0
117.07027	19.1
119.08593	25.3
121.06522	3.5
121.10154	23.7
123.08097	6.7
123.11716	4.5
125.09658	4.9
127.03931	11.6
128.06215	2.6
129.07036	10.3
131.08583	21.4
133.06519	3.1
133.10129	17.2
135.08101	5.2
135.11691	22.6
137.05943	3.0
143.08598	9.1
143.17398	2.4
145.06453	4.5
145.10115	23.0
147.04550	2.5
147.08075	4.7
147.11731	10.1
149.05968	2.2
149.09637	4.4
149.13281	8.1
151.11115	2.3
153.12779	11.0
155.08618	3.7
157.10219	5.5
159.11707	8.5
161.09618	4.1
161.13269	6.0
163.11157	20.9
171.08006	2.7
171.11705	5.8
173.04550	3.4
173.09688	3.3
173.13281	6.6
174.13672	2.6
175.11247	2.6
181.10289	3.2
181.12285	9.4
185.13280	4.3
187.14905	3.0
191.10754	9.2
197.13338	2.9
209.11754	8.8
227.12761	16.1
243.21130	3.6
248.22337	2.3
258.52814	2.7
259.20657	2.8
261.22247	7.8
275.20190	4.9
281.17413	3.6
283.15344	4.4
301.21701	4.5
325.60007	2.4
335.25858	4.8
349.24005	2.4
351.23035	2.6
353.16010	16.8
369.24347	4.6
387.25485	2.9
405.26462	3.6
409.18552	2.5
443.27744	2.9
461.29327	3.4
515.37195	3.2
543.36676	3.6
595.36566	3.2
613.37189	3.1
669.40106	7.9
687.41064	100.0
688.41486	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	686.439
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	1.0
58.06612	0.7
60.08169	6.8
67.05508	0.6
71.07376	4.2
71.24775	0.3
79.05521	0.4
81.07051	0.6
83.66457	0.4
86.09710	33.5
92.08474	0.3
93.07026	0.4
98.21539	0.5
98.98459	3.6
104.10727	2.8
112.86530	0.3
125.00011	23.6
130.03337	0.3
156.57304	0.4
184.07350	100.0
185.07632	0.5
237.14951	0.3
255.23227	0.4
448.48663	0.4
453.74335	0.3
508.67676	0.3
686.43713	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	686.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
55.01859	1.8
55.05517	13.3
57.03439	13.2
57.07060	4.1
59.04992	2.7
61.02922	3.8
63.67137	1.1
65.03951	2.4
67.05510	100.0
69.03429	4.5
69.07059	7.9
69.39844	1.2
71.04983	3.9
71.08611	1.4
71.57742	1.2
73.02937	1.2
76.93177	1.1
79.05500	21.6
81.03420	4.9
81.07065	43.3
83.04969	2.8
83.08608	6.6
85.02905	3.6
85.06535	2.7
91.05476	14.3
93.07053	31.3
95.04966	4.0
95.08612	30.6
95.09229	1.2
97.02877	2.8
97.06540	2.1
97.10195	2.6
99.08155	1.2
105.07050	9.2
107.08606	15.8
109.06559	1.7
109.10166	76.6
111.08083	3.9
117.07021	3.4
119.08582	11.5
121.10160	11.8
123.11729	2.0
124.93029	1.4
125.09639	2.5
131.08594	5.8
133.10178	5.7
135.11697	8.6
137.09621	4.3
139.35487	1.1
145.10147	6.3
147.11710	4.4
149.09581	1.2
149.13286	4.5
153.12749	1.0
155.10683	3.6
157.10165	1.7
159.11708	4.7
161.13274	2.7
163.14772	2.4
173.11749	20.8
173.13275	3.4
175.14822	1.3
183.11830	1.1
187.14897	1.4
189.11263	2.1
227.12828	4.3
229.14363	80.0
243.21127	3.4
259.20624	1.3
261.22165	19.2
317.24753	3.1
335.25812	74.6
336.26099	2.1
344.88797	1.4
376.57455	1.1
397.30991	1.4
471.34497	1.2
489.35806	58.2
490.36215	2.4
497.02213	1.2
507.36169	3.0
687.40393	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	7.0
56.03624	1.4
57.03431	3.6
57.07081	33.1
61.02931	12.4
67.05514	13.2
69.03400	1.6
69.07076	7.5
70.08482	6.5
70.08824	1.6
71.08289	0.9
71.08634	25.3
71.86140	1.4
73.02917	4.7
75.04459	3.1
79.05486	3.2
81.03416	1.6
81.07064	17.6
83.08624	10.9
85.02914	14.0
85.10193	15.5
89.00276	1.3
91.03952	13.3
93.07039	4.0
95.08620	26.7
97.02885	7.3
97.10165	10.1
98.21410	2.4
107.08620	1.5
109.10178	10.1
111.11706	2.4
114.23308	1.4
115.80294	1.3
123.11728	6.7
123.47532	1.3
127.03931	3.4
128.45093	1.5
131.08580	1.4
137.13283	2.5
145.04951	7.5
149.02344	2.6
163.06018	7.6
225.94691	1.3
243.49699	1.5
253.25247	21.5
271.26358	4.3
284.29239	1.9
327.28958	100.0
335.25693	2.3
345.30045	27.1
646.20764	1.4
686.39105	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	686.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	6.4
57.03444	3.4
57.07081	28.6
61.02927	11.0
67.05507	12.1
69.03425	2.0
69.07072	8.6
71.08639	26.2
71.57677	2.1
73.02911	2.5
75.04469	1.6
79.05491	2.3
81.03416	2.5
81.07067	16.1
83.08633	11.9
85.02900	12.1
85.10197	15.7
91.03966	12.2
91.05392	1.9
93.07049	3.6
95.08614	22.0
97.02878	8.3
97.10185	10.8
99.86121	1.7
109.10140	12.2
110.24847	1.7
111.11726	3.2
121.10158	2.4
123.11713	5.7
127.03995	4.1
145.04980	6.8
163.06036	11.4
193.05144	2.0
228.39098	1.9
253.25298	24.7
255.12492	1.8
271.26218	3.2
284.29428	2.2
327.28952	100.0
328.29300	2.1
335.25485	1.8
345.30069	30.2
393.51059	1.6
449.99170	1.9
453.02493	2.0
586.58527	2.3
686.39069	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	685.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47738	3.1
53.03938	8.5
55.01870	7.3
55.05510	35.2
55.56607	3.3
57.03444	24.3
57.07081	54.9
57.16719	3.2
57.25624	3.1
67.05504	43.8
69.03440	17.4
69.07079	22.5
71.01774	6.6
71.05004	4.2
71.08638	39.4
72.20511	3.2
79.05490	31.3
81.03422	100.0
81.07067	51.2
83.04984	50.4
83.08620	49.9
83.31445	2.8
85.02921	21.4
85.10186	22.1
89.06028	4.7
91.05458	29.8
93.07044	26.1
95.04976	23.7
95.08614	44.6
97.02909	22.2
97.06531	6.3
97.10178	14.7
99.04446	4.1
100.22817	3.4
105.07044	23.6
107.04954	5.9
107.08601	22.7
109.02893	11.4
109.06502	9.6
109.10156	24.4
111.00798	5.1
111.04466	18.1
111.08069	14.8
117.07006	6.8
117.30456	3.2
119.08607	24.6
120.22202	3.0
121.06511	4.6
121.10137	23.5
123.08094	4.3
123.11706	5.8
125.09610	5.1
127.03922	14.4
129.05525	21.7
129.07005	12.9
129.57567	3.8
131.08577	12.1
133.06494	3.4
133.10158	15.3
135.11665	9.3
137.09552	3.4
139.03893	7.9
145.10097	6.0
147.08032	6.7
147.11702	18.3
149.09627	8.4
149.13298	4.6
157.10141	14.5
163.14856	4.9
165.12791	4.0
175.11192	15.5
193.12263	46.2
211.13292	81.3
227.12801	8.5
229.14374	9.0
239.23625	5.9
251.16359	18.1
252.62840	4.0
253.14362	5.9
265.18243	4.2
267.15952	14.3
279.15909	41.4
281.98358	3.6
285.16931	17.2
293.17511	15.3
307.19119	11.7
313.27402	98.7
314.27872	6.2
337.16461	5.5
353.20157	4.0
374.52136	4.3
411.20444	5.3
429.21155	12.3
455.31488	4.1
483.31235	5.5
501.32025	26.0
505.38812	13.9
519.33112	9.5
523.39972	85.7
524.40247	5.4
575.35608	30.8
593.37091	6.3
634.75586	3.8
649.39117	5.5
667.44214	26.1
685.43170	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	686.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00611	1.1
52.68462	0.9
53.03955	5.4
53.20689	1.0
55.01864	4.5
55.02109	1.2
55.05516	10.4
57.03437	5.6
59.04975	1.3
65.03933	1.8
67.05165	1.9
67.05508	24.6
69.03451	1.1
69.07070	9.2
69.16577	1.0
71.04984	2.6
71.31904	2.4
73.06585	1.7
74.91450	1.0
77.03958	1.2
79.05060	2.3
79.05499	36.7
81.03423	9.0
81.07067	23.4
83.01328	2.7
83.04990	10.9
83.08643	6.1
85.02912	3.5
85.06523	1.7
91.05478	28.4
93.07046	39.8
95.04969	12.1
95.08611	14.4
97.02904	1.7
97.06528	3.5
97.10154	2.8
99.04446	1.5
100.43970	1.2
105.04558	1.5
105.07035	21.8
107.04958	5.8
107.08610	10.3
109.06543	5.4
109.10122	3.2
111.08080	2.5
117.07030	8.6
119.08582	14.1
121.06524	3.0
121.10148	4.5
123.08077	4.9
125.05986	1.4
127.11201	3.4
128.06213	1.2
129.07002	8.9
131.08572	2.9
133.10133	4.7
135.11684	4.8
136.38127	1.0
143.08583	5.7
145.10123	10.7
147.08008	1.9
147.11681	18.7
150.18567	1.0
161.09644	2.7
161.13260	4.7
163.11180	12.6
171.11687	10.8
173.09651	1.9
181.12247	1.5
189.12752	4.3
207.13803	15.6
209.11731	1.8
281.17487	44.4
283.15408	32.7
327.25259	1.2
471.27353	7.4
489.28476	100.0
490.28925	4.5
507.29861	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.505
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65945	0.7
51.23912	0.9
57.03437	4.2
57.07087	4.7
58.06609	35.9
59.07387	8.6
59.85696	0.9
60.08173	8.7
60.41106	0.8
63.40413	0.7
67.05508	3.2
69.07082	0.7
69.89298	4.0
71.08641	3.3
73.04771	1.1
75.04488	1.8
79.05504	2.5
81.03408	1.5
81.07056	3.5
83.05029	0.9
83.08617	1.4
84.08166	1.2
85.02921	2.9
85.10203	1.8
87.04469	3.5
91.05452	1.4
93.07066	0.9
95.04997	1.4
95.08620	3.0
102.05611	0.9
102.98214	0.8
103.03913	0.8
105.05463	0.8
105.07058	1.5
109.10149	1.1
113.06006	1.4
119.08589	1.4
121.10189	0.8
123.08054	0.9
131.07076	1.7
133.10139	1.5
137.13318	0.8
144.10223	15.4
147.11742	1.0
153.53400	0.8
162.11276	5.2
218.13878	1.4
236.14952	94.4
237.15221	1.5
290.64410	1.0
313.27423	1.1
428.26489	6.0
429.08551	1.5
446.27539	5.8
456.36868	7.0
474.31668	0.7
474.37952	16.5
618.91357	1.0
666.49487	12.4
684.50513	100.0
685.51489	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	685.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.5
55.01878	7.8
55.05516	9.6
56.42324	1.2
57.03439	22.5
57.07065	4.4
61.02930	83.9
65.03956	2.0
67.05507	42.9
69.03433	34.6
69.07076	10.6
71.01340	5.7
71.04987	4.7
71.08630	2.0
71.56182	1.3
71.56819	2.2
73.02924	30.1
79.05064	2.1
79.05499	33.4
81.03428	20.3
81.07062	33.6
83.04956	4.9
83.08606	4.2
85.02908	100.0
85.06534	3.2
85.10191	1.5
87.04466	3.2
90.26945	1.4
91.03961	54.7
91.05476	45.3
93.07048	28.7
95.04932	5.7
95.08612	27.3
97.02898	76.3
97.06512	4.9
97.10155	1.7
99.04469	10.3
101.02393	8.1
103.03935	7.5
103.05446	2.1
105.07039	32.8
107.04943	2.2
107.08608	15.6
109.02880	9.2
109.06561	3.8
109.10184	9.5
111.04460	1.6
111.08127	2.1
115.03916	7.9
115.05442	1.7
117.07023	16.0
119.08590	29.0
119.93521	1.3
121.06494	3.2
121.10163	13.1
123.11700	4.1
127.03940	30.9
128.06219	2.2
129.05482	8.5
129.07036	8.6
131.08566	18.9
133.10139	19.4
135.08014	4.9
135.11719	9.0
137.09660	1.5
137.13255	3.3
142.07829	1.7
143.08606	8.4
145.04973	22.7
145.10132	12.6
147.08037	2.7
147.11696	8.8
149.09593	3.9
149.13255	3.4
151.07468	1.5
157.06477	1.5
157.10170	8.0
159.06685	2.2
159.08037	2.3
159.11682	8.4
161.09650	3.2
161.13246	6.0
163.06018	4.9
163.14822	3.3
167.08617	1.7
169.10115	3.0
171.11703	10.0
173.13329	3.0
175.11197	4.0
175.14848	5.5
177.16359	2.8
183.06526	5.6
185.13251	5.0
187.14838	3.4
189.12756	2.1
189.16348	5.9
191.17917	3.2
197.13278	2.5
199.14859	5.1
201.07600	3.9
201.16388	4.8
203.14400	2.6
203.17918	18.8
207.11832	1.6
213.16307	2.7
215.14288	1.5
227.18002	2.4
243.21210	1.4
245.22610	1.9
259.24316	2.9
265.17978	1.5
267.21088	2.7
269.22647	13.4
285.22244	2.6
287.23785	10.1
299.23831	1.4
361.27383	28.0
416.76083	1.7
469.29367	1.6
473.36383	1.9
505.31747	3.4
523.32288	1.8
623.37256	1.5
649.40558	2.0
672.20709	1.8
685.38232	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	684.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.5
53.91935	1.2
55.01868	2.7
55.05301	1.1
55.05513	14.2
57.03441	15.2
57.07072	3.6
59.01512	1.2
61.02919	2.8
61.63353	1.2
65.03916	1.8
66.54219	1.0
67.05508	50.8
69.03416	1.6
69.07076	11.2
69.43649	5.7
69.44073	3.1
70.41754	1.1
71.01340	2.9
71.04990	3.9
74.13390	1.1
77.03941	1.5
79.05497	55.7
81.03416	3.5
81.07062	37.6
83.04985	5.8
83.08652	5.6
85.02904	1.9
85.06541	3.0
91.05463	23.2
93.07051	68.7
95.04976	6.6
95.08614	19.0
97.06532	8.8
97.10179	7.5
99.08093	3.3
105.07041	12.7
107.08598	31.7
109.06499	1.1
109.10168	11.8
111.08081	3.2
115.05457	1.2
117.07034	6.2
119.08599	9.1
121.06489	1.4
121.10147	20.6
123.08084	1.1
123.11728	4.0
125.09650	1.4
131.08574	7.5
133.10129	9.2
135.11702	43.3
136.12045	1.3
137.09628	2.4
145.10150	8.5
147.11681	4.5
149.09621	1.5
149.13260	7.8
151.11128	1.6
153.12752	2.7
159.11713	4.5
163.11203	4.6
173.13235	4.4
177.12711	1.2
181.12236	10.4
184.07436	1.8
187.14896	1.6
215.17976	13.7
233.18985	14.8
253.14337	2.5
255.15941	63.1
289.21716	1.7
307.22672	44.1
395.29398	1.9
470.99478	1.1
487.34216	100.0
488.34201	3.7
505.35352	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	25.3
57.03426	8.9
57.07066	13.3
61.02932	23.5
67.05510	42.5
69.03440	3.2
69.07074	48.8
70.00074	8.8
71.04984	4.6
71.08632	8.9
71.88862	2.9
73.02911	7.9
75.04460	4.0
79.05495	13.1
81.07063	43.9
83.08632	35.2
85.02914	26.2
85.10175	7.1
91.03963	19.8
91.05846	3.6
93.07051	26.0
95.08604	44.9
97.02881	12.0
97.06530	7.4
97.10177	27.9
98.20771	3.5
107.08591	18.8
109.10171	20.5
110.42256	2.7
111.08092	7.1
111.11716	7.2
118.20509	3.1
121.10151	34.0
123.11718	7.2
125.09612	4.4
127.03896	10.9
135.11708	30.8
137.13254	5.8
139.11171	5.5
145.04973	14.2
148.63754	3.0
149.13258	18.7
151.14790	6.8
153.12746	4.0
163.06042	20.8
163.14787	5.3
167.05518	3.4
173.26622	3.1
191.58307	2.6
192.34671	3.0
233.22632	37.8
251.23708	87.1
262.41492	3.0
269.24686	19.7
325.27390	100.0
343.28494	66.9
359.02649	3.3
360.37265	3.4
389.28647	3.8
410.81934	3.3
487.32346	4.8
501.12296	3.2
658.16119	3.5
700.41064	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	684.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.4
55.01880	1.5
55.05516	9.9
57.03437	5.6
65.03937	2.4
67.05172	1.8
67.05513	29.8
69.07071	7.7
69.40137	9.5
76.08105	1.1
79.05499	48.8
81.03432	6.0
81.07062	28.9
82.65266	1.2
83.04978	9.5
83.08618	3.4
85.06533	2.8
91.04903	1.2
91.05487	42.1
93.07053	48.1
95.04986	13.3
95.08612	16.1
97.06547	3.5
97.10165	2.5
98.20778	2.2
105.04508	1.3
105.07039	29.4
107.04935	4.5
107.08598	10.9
109.06528	4.4
109.10151	2.7
114.38146	1.3
117.07034	8.0
119.08598	17.5
121.06550	2.5
121.10156	2.4
123.08064	4.1
128.06239	2.8
129.07013	12.4
131.08575	2.1
133.06613	1.1
133.10121	6.1
143.08554	6.9
145.10167	7.1
147.08043	2.8
147.11702	31.7
161.09669	2.5
161.13263	8.1
163.11156	1.9
171.11710	21.4
189.12784	8.2
207.13853	22.0
225.14651	2.3
255.51529	1.3
281.17505	49.1
334.82816	1.4
469.29739	1.7
487.30606	100.0
488.30774	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	684.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09566	1.0
53.03958	8.2
55.01879	2.5
55.05519	9.9
57.03436	3.2
61.02922	1.8
64.24999	1.2
67.05170	1.9
67.05512	31.3
69.03448	5.1
69.07075	6.0
71.04987	3.0
73.06549	1.4
77.03925	1.3
79.05502	50.9
81.02975	1.9
81.03425	18.6
81.07063	25.5
83.04995	6.4
83.08620	5.0
85.02904	15.0
85.06546	1.9
91.05483	39.3
93.07054	64.9
95.04984	16.3
95.08616	12.6
97.02903	6.8
97.06538	3.0
97.10159	3.3
98.21610	1.7
98.92267	1.2
99.04472	3.3
105.04528	1.8
105.07036	32.1
107.04957	3.6
107.08596	10.6
109.02891	13.4
109.06527	4.9
109.10159	1.7
115.05420	1.3
117.07033	7.3
117.26739	1.0
119.08579	17.4
121.06528	3.3
121.10168	3.5
123.08082	3.8
127.03927	44.3
127.07567	2.3
128.06168	1.1
129.07021	14.7
131.08569	4.0
133.10130	6.9
135.11728	1.7
143.08543	7.8
145.04968	3.1
145.10130	9.5
147.08101	1.7
147.11702	44.6
147.92845	1.2
161.09656	5.9
161.13287	11.5
171.11722	31.7
189.12766	11.3
207.13826	100.0
223.11295	1.2
225.14861	16.6
242.51222	1.1
253.16943	1.1
267.15979	4.0
281.17471	23.3
287.16492	1.3
333.16852	6.2
351.18036	40.1
369.19128	20.3
429.08527	1.5
487.30270	1.7
631.34637	1.3
649.35596	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
55.01857	0.7
55.05478	1.7
57.03450	3.9
57.07077	3.7
58.06606	29.4
58.06880	1.3
59.07388	8.7
60.08171	7.1
60.88462	0.5
67.05480	2.6
69.07041	1.5
69.41714	4.6
71.04960	0.5
71.08648	2.9
72.93711	0.6
73.02888	0.7
75.04449	1.5
79.05468	1.9
81.07034	2.5
83.04929	0.8
83.08622	1.3
84.08138	0.8
85.02881	2.4
85.10171	1.4
87.04475	3.1
91.05468	1.1
93.07010	1.3
95.08575	2.2
98.21526	1.1
103.03902	0.7
105.07009	1.4
107.08545	0.9
107.51250	0.5
109.10107	1.0
113.06016	0.9
119.08611	0.7
131.07022	1.4
144.09131	1.0
144.10208	13.8
145.10146	1.0
159.51654	0.6
162.11284	5.2
163.11183	0.9
168.28882	0.6
171.12126	0.6
172.23196	0.7
200.12837	0.7
236.14944	79.8
237.15190	1.4
268.42514	0.7
313.27316	0.8
426.24890	5.2
444.25858	7.1
456.36813	6.4
474.37955	10.7
530.97852	0.6
664.47699	1.8
682.48920	100.0
683.49329	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	683.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	11.7
55.01880	16.0
55.05301	1.7
55.05521	18.3
57.03440	13.1
57.07083	50.1
65.03957	2.2
67.05178	2.2
67.05510	35.5
69.03435	26.1
69.07063	10.0
71.04993	12.7
71.08280	3.1
71.08635	33.5
79.05502	18.5
81.03425	100.0
81.06584	2.3
81.07058	39.1
83.01318	2.3
83.04989	30.8
83.08628	20.6
85.02921	10.7
85.03355	1.8
85.06552	3.7
85.10194	17.0
91.05473	13.5
91.89551	1.6
93.07048	30.9
95.04964	7.9
95.08609	38.3
97.02904	34.3
97.06529	8.3
97.10163	8.3
99.04469	16.4
101.02366	2.3
105.07049	6.4
107.04974	9.9
107.08594	17.1
109.02885	38.1
109.06526	3.8
109.10183	19.0
111.04451	42.7
111.08077	14.4
112.26184	2.0
117.07006	5.9
119.08578	9.0
121.06512	3.2
121.10163	12.4
123.04461	1.8
123.08115	2.3
123.11716	5.2
125.09624	2.0
127.03933	33.5
129.05579	1.9
130.20953	1.9
131.08618	4.8
133.10164	3.5
135.11699	22.1
145.05051	2.5
145.06406	2.5
145.10138	14.6
147.11722	5.1
149.09641	4.0
153.12743	33.7
163.11188	29.9
173.09682	7.3
181.12248	30.7
183.06525	3.2
191.10687	29.6
209.11679	15.1
227.12794	62.0
239.23708	10.5
283.15384	27.2
301.16345	2.6
313.27377	86.4
317.13934	1.9
325.16556	1.9
341.26859	2.9
353.15967	15.3
371.17105	1.9
383.27802	3.0
409.18585	5.8
427.19699	20.5
521.38141	11.1
539.39539	17.1
665.42505	26.1
683.43646	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	682.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
54.15110	0.4
55.01867	1.7
55.05517	6.3
57.02149	0.5
57.03431	1.4
59.05003	0.5
61.02935	8.3
67.05507	5.7
69.03439	3.6
69.07071	2.5
69.29456	4.1
71.05003	0.9
73.02905	3.4
79.05499	5.5
80.05023	0.9
81.03430	1.2
81.07066	5.0
81.94337	0.4
83.04974	0.8
83.08627	2.6
85.02915	5.0
86.06030	0.5
91.03964	3.0
91.04475	0.4
91.05493	4.1
92.05824	0.5
93.07059	3.7
94.06578	4.0
94.82236	0.4
95.08616	1.6
96.08140	0.7
97.02899	4.4
97.10181	3.9
99.04475	2.0
101.02373	0.8
101.69315	0.4
105.07027	2.9
106.06560	1.2
107.08591	3.3
108.08134	4.1
109.02883	0.8
109.10162	1.7
110.09701	0.8
114.44274	0.4
115.05447	0.6
117.07031	1.7
118.06537	1.0
119.08618	0.9
120.08115	3.0
121.10177	0.8
122.09682	2.1
123.11648	0.6
124.07584	3.2
124.15884	0.5
125.09633	3.4
126.09146	0.9
127.03908	1.2
129.07018	1.2
131.07297	0.5
131.08575	1.7
132.08060	2.9
133.08960	0.9
133.10130	1.7
134.09668	1.9
135.08095	0.6
136.07579	2.0
138.09151	11.1
143.08554	1.2
144.08075	1.2
145.04967	1.0
146.09662	2.7
148.07663	0.8
148.11234	0.9
150.09164	1.2
152.07121	0.5
152.10725	1.3
158.09637	1.1
160.07631	0.6
160.11212	0.9
162.09229	1.4
164.10754	2.5
169.12256	0.6
170.09677	0.8
171.10335	0.6
172.11209	0.6
174.09166	1.6
176.10736	1.4
178.12308	1.2
183.13811	1.1
188.10719	1.3
189.11314	0.9
190.12260	0.6
192.13844	0.6
197.11893	0.4
202.12317	0.6
215.12865	1.2
232.16956	1.1
242.15570	0.6
244.16945	1.1
256.16995	0.7
258.18536	2.4
260.16568	1.6
262.17947	2.3
272.16473	0.6
274.18085	2.0
276.19589	5.5
278.17612	2.3
283.91058	0.5
286.18365	0.5
288.19553	0.8
290.17548	5.9
292.19098	1.3
294.20825	0.7
300.19638	0.8
306.20660	0.6
308.18588	2.1
314.21384	0.6
316.19073	1.5
318.20667	0.9
324.40033	0.6
330.20749	1.0
332.22101	0.7
350.23123	0.7
382.27383	0.9
396.21832	0.5
400.28522	3.4
410.27017	3.9
428.28012	15.6
429.28308	0.5
445.75851	0.5
446.29016	3.6
464.30051	0.9
470.28503	0.5
476.30008	0.5
484.30856	1.0
502.31683	9.7
520.32721	100.0
521.33008	4.1
532.33423	0.9
544.32764	5.9
562.33600	3.8
582.34766	0.6
586.33862	1.2
598.33716	1.4
610.33551	1.8
628.35095	2.5
646.36011	4.5
664.37244	3.5
682.36816	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50976	0.4
53.03965	0.7
55.01875	1.7
55.05521	6.3
55.31096	0.4
57.03438	1.2
59.05003	0.6
61.02931	6.2
67.05511	6.9
69.03427	2.4
69.07064	2.1
69.91064	1.9
73.02932	2.5
79.05502	6.0
80.05025	0.8
81.03421	0.9
81.07063	5.5
83.04990	0.8
83.08630	2.3
85.02917	5.3
91.03966	2.7
91.05489	3.3
93.05813	0.5
93.07038	3.0
94.06556	2.4
95.04972	0.8
95.08608	1.9
96.08125	0.5
96.57282	0.4
97.02900	4.4
97.10191	4.2
99.04479	2.4
101.02374	0.7
105.07032	3.0
106.06549	1.1
107.08559	3.0
108.08124	3.6
109.10160	1.4
110.09715	0.9
115.05481	0.6
117.07053	1.5
118.06523	0.8
119.08611	1.1
120.08083	3.0
121.08895	0.4
121.10172	0.6
121.84673	0.4
122.06040	0.4
122.09679	2.2
124.07605	3.2
125.09662	2.5
126.09148	0.6
127.03929	0.9
127.70839	0.5
128.70583	0.4
129.06998	0.5
131.07361	0.6
131.08578	1.2
132.08084	2.9
133.08972	0.9
133.10153	1.8
134.09663	1.4
135.08098	0.5
136.07571	0.8
138.09155	10.5
140.10709	0.8
144.08119	1.5
145.08876	0.8
146.09673	2.2
147.10458	0.5
148.07571	0.7
148.11215	0.6
149.09641	0.5
150.09172	1.6
152.07066	0.5
152.10692	0.9
157.10170	0.6
158.09694	1.4
159.10472	0.6
160.07594	0.6
160.11203	0.9
162.09190	1.6
163.09947	0.6
164.10710	2.4
166.08690	0.5
169.10112	0.5
169.12286	0.7
170.09552	0.6
172.11125	0.8
174.09180	1.4
176.10774	1.5
178.12364	1.3
183.13840	0.8
188.10756	1.9
189.11328	0.8
190.12314	0.7
197.11885	0.6
202.12268	0.7
215.12927	1.3
232.16905	0.5
242.15392	0.5
244.16933	1.1
256.16968	0.8
258.18500	2.5
260.16528	1.9
262.18170	2.2
270.18564	0.5
272.16458	1.0
274.18057	2.2
276.19601	5.5
278.17587	1.7
288.19601	0.6
290.17548	4.4
292.19131	1.2
294.20761	1.1
298.17822	0.5
302.17813	0.6
304.18997	0.5
306.20703	0.6
308.18546	1.3
314.21246	0.6
316.19171	1.4
318.20804	0.8
330.20557	1.1
344.22171	0.6
349.26978	0.4
382.27472	1.2
392.25824	0.6
400.24008	0.5
400.28531	3.2
410.26862	3.8
418.29510	0.5
428.28000	14.3
429.28275	0.7
446.29092	2.3
448.18286	0.7
464.29883	0.5
470.29242	0.9
476.29660	0.8
484.30521	1.0
502.31653	11.5
520.32739	100.0
521.33026	3.4
532.32928	0.7
544.32861	4.5
554.31152	0.7
562.33850	4.4
586.33606	1.7
598.33795	1.6
610.33649	1.9
628.35150	2.5
646.35815	4.6
664.36536	3.2
672.06738	0.5
682.37628	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	682.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	9.0
57.03444	9.0
58.38659	6.6
61.02932	6.9
64.70467	5.6
67.05514	12.3
69.03439	31.8
69.07068	8.3
70.06627	7.6
71.04991	41.7
71.56404	8.6
73.02920	8.0
79.05478	10.4
81.03417	32.1
81.07066	16.7
83.04974	23.0
85.02914	100.0
86.09708	8.5
86.93188	5.0
87.00838	22.2
87.04437	5.0
91.04829	5.2
91.05476	9.7
93.07040	20.3
95.04987	26.5
95.08623	21.6
97.02885	17.7
97.06508	5.0
97.10204	7.8
99.04472	10.1
103.03984	6.1
105.01891	24.3
105.07047	14.3
107.08613	46.4
109.02921	28.9
109.06517	5.8
109.10162	29.4
111.04471	21.2
111.08101	19.2
119.08585	13.1
121.10141	11.9
123.08077	7.7
125.09663	20.0
127.03941	53.7
129.05481	14.5
131.08592	8.8
133.10143	11.9
135.11697	28.1
137.06009	5.0
141.20500	6.0
145.04988	7.9
145.10147	17.5
147.04460	6.4
147.11708	38.4
153.12772	23.5
157.10188	7.7
165.12823	9.8
171.43806	5.8
178.11713	4.6
179.10674	5.4
189.03937	10.1
189.16385	20.6
213.03943	7.7
217.15913	29.1
231.05013	9.6
235.16919	47.5
237.07661	11.0
245.26738	5.1
253.18019	83.4
253.47099	5.4
287.13632	6.2
359.10022	6.4
381.22815	17.5
382.21268	5.3
449.93628	5.7
458.22562	6.4
483.22424	17.1
542.02832	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	681.297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61574	5.5
53.81583	5.6
55.05499	8.8
62.94169	5.4
67.05499	16.6
69.03443	27.0
69.07065	13.0
70.16973	6.3
70.17328	22.3
71.05000	28.7
71.05322	5.6
79.05505	14.1
81.03413	16.5
81.07054	36.7
83.08638	6.1
85.02914	51.9
87.00828	24.9
91.05473	14.4
92.74940	5.3
93.07064	34.8
95.04958	15.0
95.08620	19.0
97.02885	21.6
99.04451	9.3
105.01859	24.1
105.07042	34.0
107.08593	62.0
109.02873	23.9
109.10180	42.4
111.08099	34.3
111.08733	7.3
115.99799	5.1
119.08608	31.4
121.10142	23.5
125.09640	37.6
127.03870	36.2
131.08568	12.4
133.10115	23.2
135.11714	39.3
145.05005	12.2
145.10120	21.7
147.08064	6.3
147.11691	66.5
153.12764	41.2
157.10156	10.4
159.02905	8.3
159.11641	12.0
163.11169	7.6
173.33855	5.9
175.11131	6.5
175.14890	8.6
189.16365	39.8
217.15872	53.0
231.05092	14.5
235.16960	81.4
253.18022	100.0
379.21164	6.3
393.14880	6.0
397.22186	11.2
451.13522	5.3
483.22391	7.6
628.60748	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	680.5096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.4
55.01850	0.5
55.05484	1.3
57.03442	3.7
57.07076	4.0
58.06603	30.4
59.07387	7.4
60.08167	7.8
67.05511	3.3
69.07038	1.4
69.92713	1.7
71.08632	1.9
72.29430	0.3
73.02904	0.6
75.04493	2.6
76.85391	0.3
77.74784	0.3
79.05494	1.9
79.17330	0.3
81.03402	0.4
81.03946	0.3
81.06639	0.3
81.07064	3.2
83.04955	0.6
83.08582	1.0
84.08125	1.1
85.02906	2.2
85.10159	1.4
87.04459	2.5
91.05482	2.0
93.07024	1.2
95.04953	0.7
95.08601	2.6
97.10190	0.3
100.11223	0.9
102.05530	1.0
105.05495	0.6
105.06999	1.1
107.08586	0.5
109.10137	0.8
113.06000	1.1
115.88905	0.3
117.07002	0.3
119.08566	1.3
123.11675	0.4
130.08615	0.8
131.07021	0.9
144.10201	13.3
147.11662	0.7
162.11278	4.8
171.11742	0.4
200.12810	0.7
218.13864	0.8
236.14937	80.5
237.15260	0.7
313.27448	0.7
348.65140	0.3
366.41739	0.4
380.28036	0.5
412.37875	0.7
424.26840	3.2
442.27988	7.0
456.36884	5.8
474.37943	12.7
620.40564	0.4
680.50964	100.0
681.51251	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	680.385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.9
55.05510	8.7
57.03446	6.3
61.02934	31.1
65.03928	4.7
67.05170	5.6
67.05509	68.0
69.07072	15.2
69.73626	5.0
69.99197	16.0
73.02913	9.5
76.49223	3.8
79.05495	43.5
81.07057	65.0
83.08657	4.3
85.02910	36.1
91.03958	31.9
91.05505	22.8
93.07067	56.2
95.08609	75.2
96.52159	4.0
97.02898	17.7
97.06556	4.6
97.10164	5.6
105.07039	22.5
107.08602	53.2
109.10166	35.1
117.07009	11.0
119.08589	24.7
121.10158	43.0
123.11704	20.0
127.03922	16.4
131.08578	21.4
133.10136	13.6
135.11703	37.7
137.13339	4.0
145.04965	17.1
145.10109	21.6
147.11705	20.9
149.13271	28.5
150.73338	4.6
159.11707	24.9
161.13306	4.8
163.06013	18.9
163.14816	8.8
173.13271	15.9
178.22951	4.0
191.14380	3.8
229.19463	41.5
229.21155	3.8
247.20561	100.0
321.24188	19.7
339.25299	64.0
387.35071	4.7
451.96881	4.3
524.85040	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	680.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	15.8
57.03430	8.6
60.96134	3.4
61.02930	28.1
62.09435	3.2
67.05171	4.7
67.05515	74.5
69.03431	6.3
69.07067	10.7
70.30542	11.7
73.02921	12.3
79.05492	54.1
80.36981	3.5
81.03430	3.9
81.07066	77.4
83.08626	8.8
85.02917	28.5
91.03971	23.1
91.05479	27.6
91.33712	3.6
93.07054	55.3
95.04917	5.9
95.08617	76.7
97.02891	16.3
97.06547	5.6
97.10201	5.8
99.08134	3.7
105.07029	28.1
107.08609	50.9
109.10172	49.3
114.27233	3.4
117.07013	13.5
117.13249	3.6
119.08588	19.0
121.10142	39.5
123.11739	15.8
127.03913	13.5
131.08580	24.9
133.10167	20.4
135.11725	43.1
145.04982	12.9
145.10139	23.6
147.11725	17.1
149.13266	26.5
151.11215	4.0
159.11705	22.9
161.13240	4.5
163.06033	19.9
163.14790	12.4
165.12776	3.4
165.25716	3.6
173.13304	12.6
187.14810	8.7
219.17598	3.9
219.21141	6.7
221.07115	3.6
229.19489	46.3
247.20583	100.0
265.21783	5.3
321.09717	4.5
321.24210	34.7
335.47330	4.0
339.25272	56.9
341.84622	3.5
350.27353	3.8
454.32092	4.0
483.29709	6.5
579.13300	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	679.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	21.5
56.41367	2.7
57.03430	10.7
57.07072	16.6
61.02935	14.1
65.03957	2.9
67.05511	87.0
69.03417	3.3
69.07078	31.9
69.65535	9.9
71.04999	3.5
71.08629	6.0
72.16309	2.4
73.02911	9.5
73.27690	2.4
79.05489	25.5
81.07065	100.0
83.04964	2.4
83.08633	25.7
85.02913	18.7
85.06580	3.6
85.10197	3.2
91.03955	17.9
91.05482	22.0
93.07060	29.0
94.49049	2.3
95.04983	3.6
95.08614	86.6
97.02883	10.5
97.06550	9.4
97.10184	17.4
99.08131	4.9
100.11262	3.8
105.07038	12.4
107.08617	21.4
109.10167	42.6
111.08085	3.8
111.11743	4.8
119.08596	17.3
121.10159	24.5
123.11735	21.4
127.03928	8.7
131.08510	3.2
133.10161	21.9
135.11717	14.6
137.13277	4.7
141.12723	2.8
145.04980	5.4
147.11702	13.4
149.13271	12.4
151.14804	5.4
161.13246	15.3
163.06021	7.6
163.14810	10.2
165.12729	2.9
165.16403	7.6
175.14896	8.2
179.17960	6.9
189.16356	4.5
203.17970	2.9
242.55070	2.7
245.22641	57.7
246.23148	3.0
263.23715	95.4
334.79483	2.5
337.27365	63.1
355.28366	8.1
371.25598	3.5
372.89719	2.8
421.33765	3.2
430.46735	2.9
499.32727	4.8
679.38348	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	677.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09699	4.4
53.03941	22.3
55.01867	11.7
55.05510	32.5
57.03432	17.1
57.07055	5.3
67.05512	72.6
69.03439	32.5
69.07061	19.2
71.04978	14.6
79.05501	73.8
81.03420	100.0
81.07066	56.1
83.04987	32.8
83.08611	16.3
85.02902	9.8
91.05482	52.0
93.07056	72.1
95.04974	13.2
95.08607	42.2
96.36797	4.9
97.02912	31.5
97.06542	11.7
97.10169	16.1
99.04428	12.5
105.07039	37.4
105.51047	5.5
107.04933	7.4
107.08608	41.9
109.02898	30.7
109.06512	5.7
109.10140	18.2
111.04447	34.8
111.08087	9.6
117.07027	25.6
119.08598	30.2
119.51125	5.5
119.52886	4.9
121.06471	5.4
121.10143	27.5
125.09628	9.5
127.03902	22.6
129.05431	4.7
129.07014	17.6
131.08614	24.1
133.10123	23.1
135.11719	26.0
143.08559	11.6
145.10124	25.0
147.11684	13.3
149.09619	11.5
149.13211	6.3
153.12712	23.9
155.08588	9.2
157.10110	10.9
159.11679	16.5
163.11188	23.9
167.08511	5.0
169.10063	6.0
171.11697	12.2
173.04509	31.2
173.09622	10.2
173.13315	9.2
181.10062	6.3
181.12273	26.5
182.35867	5.6
183.11627	8.7
184.75362	4.7
187.11243	6.6
189.11269	8.8
191.10661	20.4
195.11844	6.6
197.13188	8.4
209.11713	12.6
213.16418	6.2
215.17914	11.0
227.12810	42.4
231.17593	5.2
233.19060	12.3
271.20596	8.3
273.18582	7.6
283.15417	18.8
301.16638	5.5
307.22751	36.5
423.28708	10.8
427.19678	5.9
497.32654	11.7
515.33490	39.7
533.34973	12.0
659.37024	14.1
677.38916	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	677.35
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01866	0.6
55.05498	1.6
56.55128	0.5
57.03431	1.8
57.38775	0.5
59.18996	0.5
61.02933	4.2
65.89574	0.4
67.05508	7.8
69.03423	2.1
69.07070	1.9
71.05000	0.9
71.56892	0.9
73.02921	2.6
79.05497	7.1
81.03425	2.1
81.07062	8.1
83.04996	0.6
83.08607	0.9
85.02911	5.2
91.03946	2.5
91.05486	3.7
93.07048	7.7
95.04983	1.1
95.08611	5.5
97.02904	3.7
97.06536	0.9
98.82899	0.5
99.04420	0.8
101.02399	1.8
105.07049	2.7
107.08612	3.3
109.02896	0.8
109.10188	2.5
111.08066	0.7
117.07035	0.5
119.08597	1.6
121.10129	2.7
123.11742	1.1
127.03946	1.5
129.07043	0.8
131.08588	1.6
133.10139	1.3
135.11693	1.7
145.10141	1.4
147.11729	2.2
149.13275	3.3
159.11720	1.2
161.13269	1.1
163.14853	0.8
163.65845	0.5
171.11650	0.7
187.14919	0.9
189.12729	0.5
235.13109	0.6
238.25920	0.6
243.08424	1.7
243.21147	1.6
247.13213	0.5
247.71623	0.5
261.22217	6.2
270.22647	0.5
291.15582	0.6
303.15842	0.7
335.25977	2.1
344.73349	0.6
353.26843	1.6
453.20966	6.6
465.21014	7.7
677.35065	100.0
678.35315	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	677.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	2.1
53.03942	3.9
53.99087	1.5
55.05519	12.3
57.03445	7.8
57.07066	4.4
61.02925	17.2
67.05503	73.2
69.03424	2.5
69.07064	14.9
69.37849	11.9
71.04993	3.2
71.08642	1.6
73.02908	7.6
79.05491	46.9
81.03390	3.1
81.07056	77.1
81.13069	1.6
83.08613	6.5
85.02902	18.3
85.06528	3.0
91.03954	16.8
91.05474	21.3
93.07047	56.5
93.10602	1.4
95.04948	4.1
95.08604	58.8
97.02892	9.8
97.06528	3.4
97.10199	2.4
98.20699	3.6
99.04472	2.5
99.08082	2.2
105.07034	15.9
107.08590	37.7
109.06544	3.1
109.09434	3.4
109.10155	35.2
111.08102	2.0
117.07021	9.5
119.08578	15.3
121.10144	35.7
123.11713	20.4
127.03929	4.7
131.08568	20.3
133.10127	15.0
135.11693	26.5
137.09575	2.4
137.13240	9.3
139.11188	2.5
145.04997	6.7
145.10138	11.6
147.11714	12.6
149.13257	19.7
151.11169	2.5
151.14890	2.6
153.12695	1.9
159.11710	9.8
160.41939	1.7
161.13242	12.7
163.06024	9.9
163.14818	15.4
165.12717	2.4
173.13252	13.1
175.14832	4.5
177.16396	5.7
187.14809	7.7
191.14487	2.0
201.16307	3.8
205.15871	2.0
226.71970	1.9
243.21051	31.5
261.22147	100.0
262.22546	3.7
263.23767	2.1
279.23178	4.1
311.41315	1.6
335.25815	34.2
353.26895	35.1
354.26807	2.6
357.34860	1.7
411.30585	2.0
465.21661	2.0
497.30975	4.5
631.06323	1.8
677.35370	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	677.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81571	1.4
51.79268	1.4
53.03941	3.7
55.01889	1.5
55.05514	10.4
57.03434	3.9
57.07068	4.4
61.02932	23.0
61.52319	1.7
63.39983	1.6
67.05510	64.2
69.03423	4.1
69.07078	12.6
71.05000	4.6
73.02928	9.6
73.33627	1.7
79.05060	2.5
79.05496	42.2
81.07062	74.0
83.04990	2.6
83.08607	6.8
85.02911	26.5
85.06551	2.6
91.03964	23.9
91.05496	30.4
92.73481	1.7
93.07054	54.0
95.04949	2.9
95.08611	53.8
97.02914	13.4
97.10173	3.9
99.04471	1.6
105.07040	19.8
107.08598	39.9
109.06503	1.8
109.10164	31.7
111.08057	2.3
113.09679	3.3
115.03902	2.7
117.07064	9.0
117.07712	1.8
119.08583	18.3
121.10155	33.8
123.11707	15.5
127.03919	9.5
131.08575	18.9
133.10150	13.9
135.11716	29.4
135.55449	1.4
137.09595	3.3
137.13246	7.0
143.42265	1.4
145.04967	13.8
145.10168	14.0
147.11674	10.5
149.13275	22.4
151.11147	1.9
151.14838	3.3
159.11740	14.3
161.13257	11.4
163.06065	18.1
163.14822	15.3
165.12839	2.6
173.13277	17.2
175.14847	4.4
177.16359	7.0
187.14861	11.0
201.16382	3.0
205.15973	2.6
219.17392	2.2
233.22577	3.8
243.21106	39.3
243.23586	2.2
261.22180	100.0
262.22577	2.6
279.23279	2.9
320.88950	1.6
329.55927	1.6
335.25833	15.8
353.26904	31.8
370.26419	1.7
495.61780	1.5
515.28015	1.7
677.35242	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	675.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01608	2.6
51.02361	2.6
53.03950	13.2
55.01870	3.8
55.05520	22.1
57.03442	5.8
65.03941	5.7
67.05512	56.0
67.85059	2.1
69.03423	7.4
69.07073	9.5
69.36959	13.2
69.37383	6.6
71.04993	4.2
71.57162	2.0
71.76597	2.0
77.03922	3.2
77.83036	2.1
79.05502	97.0
81.03434	24.5
81.07069	50.6
83.04983	8.2
83.08612	8.8
85.02918	7.6
85.06561	2.6
86.09732	3.5
91.05489	74.9
93.07056	100.0
95.04982	26.0
95.08616	26.9
97.02881	5.5
97.06547	5.2
97.91793	2.2
99.04470	3.8
103.03976	4.3
103.05408	2.9
105.04546	3.6
105.07044	54.0
107.04963	6.4
107.08604	22.8
109.02892	14.9
109.06535	9.8
109.10168	9.1
111.04459	3.3
117.07030	13.1
119.08598	31.2
121.06527	3.0
121.10189	15.1
123.08089	5.3
127.03928	33.8
128.06219	7.1
129.07019	21.3
131.08566	9.5
133.06503	3.2
133.10146	17.5
135.11705	5.7
143.08606	11.1
145.10138	14.2
147.04451	7.6
147.08026	2.8
147.09915	2.3
147.11723	46.2
149.13251	3.0
159.11743	3.3
161.09659	7.8
161.13252	14.7
162.23038	2.4
163.03920	6.8
171.11736	37.7
173.13200	3.0
183.06573	6.6
184.48668	2.1
189.12790	17.1
195.36493	2.5
195.88676	2.4
207.11880	4.5
207.13826	70.5
215.17935	3.7
225.14760	3.0
307.22708	51.1
335.22119	2.6
351.17966	10.7
432.19827	2.2
675.41260	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	674.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.7
53.21552	0.9
55.01882	4.9
55.05512	13.8
57.03430	4.2
61.02911	3.8
64.09247	1.1
65.03933	1.6
67.05170	1.5
67.05509	22.6
69.03420	2.4
69.07070	6.6
70.10266	3.8
71.04987	3.2
73.02887	0.9
79.05059	1.5
79.05497	20.7
81.03416	7.8
81.07062	22.7
83.04990	8.0
83.08625	6.7
85.02898	4.1
85.06544	2.3
89.06136	1.1
91.04958	1.5
91.05482	18.3
93.07050	18.8
95.04970	11.8
95.08609	9.2
97.02876	2.1
97.06561	4.8
97.07087	0.9
97.10178	9.3
99.04437	1.1
103.45592	1.1
105.07035	11.4
107.00414	0.9
107.04951	6.0
107.08595	14.5
107.59686	1.0
109.06507	4.0
109.10153	9.2
111.04462	5.0
111.08053	3.0
115.05481	1.3
117.07009	7.7
119.08587	7.5
121.06521	4.6
121.10122	6.7
123.04377	1.5
123.08082	3.0
123.11714	2.8
125.06007	1.3
125.09626	7.6
129.05499	1.3
129.07021	4.4
131.08595	8.0
131.09454	1.4
133.06485	2.7
133.10139	14.8
135.08061	3.9
135.11690	3.6
137.05972	1.4
137.09566	1.3
141.06985	1.9
142.07803	1.1
143.08540	2.4
145.06465	3.1
145.10164	6.6
147.08047	3.1
147.11665	2.7
149.09578	2.9
149.13257	2.1
151.11156	4.6
153.09099	3.4
153.12732	3.1
155.08615	2.4
157.06487	1.1
157.10114	1.4
159.08047	2.8
159.11693	3.2
161.06027	1.4
161.09612	2.2
163.11205	7.2
167.08522	1.1
169.10069	2.0
171.08047	1.5
171.11679	2.6
175.11174	1.3
181.12292	2.8
185.09587	1.4
185.13266	1.8
187.14793	1.2
189.11201	3.7
191.10692	2.9
193.12300	3.4
195.11839	1.4
195.13651	1.1
196.36221	1.1
197.13318	2.1
199.11041	1.4
205.12421	1.1
205.15897	1.2
207.11806	0.9
207.13763	2.1
209.11726	2.1
213.12682	1.6
215.14316	1.3
227.12752	3.2
227.14676	1.3
231.13596	1.0
233.15369	3.6
257.15228	1.1
269.17554	5.5
273.15057	2.4
283.15295	5.0
310.52264	1.0
321.22101	1.3
339.23166	2.5
349.21500	2.6
357.24310	3.5
363.14453	1.1
367.22668	12.8
385.23734	23.5
403.24756	6.3
423.24731	1.1
431.28110	1.3
441.26590	1.2
459.27448	100.0
460.27933	3.3
477.28491	78.1
478.28860	3.5
495.29639	5.5
581.40228	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	4.9
55.05516	9.0
57.03440	4.4
59.04988	1.5
61.02923	2.5
65.03931	0.7
67.05171	1.0
67.05509	18.8
69.03399	1.8
69.07083	7.1
69.91970	1.6
69.92378	3.3
71.04998	4.7
71.71841	0.8
73.02919	1.3
79.05501	15.3
81.03411	5.2
81.07065	19.1
83.01353	2.7
83.04984	6.6
83.08630	7.7
85.02905	7.0
85.06531	1.0
86.09733	1.5
88.87876	0.8
91.03957	0.8
91.05489	12.3
93.07053	18.2
95.04971	3.2
95.08603	7.9
97.02894	3.1
97.06543	4.7
97.10184	6.0
98.21438	1.0
99.04441	1.2
99.08140	1.0
104.10754	1.5
105.01875	1.4
105.07041	6.2
107.04949	3.5
107.08605	10.6
109.02909	0.9
109.06531	4.0
109.10200	3.6
111.04459	5.9
111.08088	3.3
117.07013	5.9
119.08575	4.5
121.06494	2.1
121.10161	6.8
123.08057	3.4
124.99976	0.8
125.05958	1.4
125.09655	4.2
127.03918	1.9
129.05496	1.7
129.07030	1.7
131.08568	5.1
133.06448	0.7
133.10132	3.9
135.08069	1.5
135.11719	7.6
135.12628	1.4
137.09595	0.8
143.08577	1.7
145.04909	1.0
145.06522	2.3
145.10143	7.8
147.08037	1.1
147.11566	0.9
149.09692	1.5
149.13252	5.1
151.11238	1.1
153.12762	2.8
155.08530	1.3
159.11717	2.1
163.11192	11.9
167.07036	2.7
171.08087	0.9
173.09674	2.1
177.12787	2.3
181.12239	3.4
184.07480	1.0
189.11246	2.1
191.10667	2.6
195.12088	0.9
195.13794	2.8
207.10226	1.4
208.10350	0.8
209.11749	2.8
215.14409	0.9
217.12254	1.1
227.12802	5.7
233.15471	1.3
269.17496	16.7
273.14777	1.0
283.15417	20.1
367.22711	2.7
385.23700	4.8
403.24844	2.7
421.25641	1.2
441.26239	1.1
459.27472	16.8
470.76959	0.8
477.28513	100.0
478.28809	4.6
495.29523	18.0
496.29904	1.4
677.64099	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	5.0
55.05516	15.1
57.03425	4.1
59.04979	1.4
61.02918	2.6
67.05510	28.7
67.05863	1.8
69.03420	2.6
69.07082	7.2
70.70243	3.9
71.05001	3.0
79.05495	23.8
81.03400	9.0
81.06577	1.6
81.07058	29.2
81.21322	1.0
83.01334	2.0
83.04980	11.0
83.08630	10.0
85.02908	4.7
85.06548	1.8
91.05489	21.0
93.07050	20.7
95.04969	12.8
95.08602	10.4
97.02888	2.8
97.06548	4.4
97.10175	11.7
102.22419	1.1
103.05505	1.9
105.07037	15.5
107.04939	6.6
107.08610	16.9
109.06523	4.6
109.10157	10.6
111.04456	5.1
111.08079	3.5
115.05426	1.8
116.85910	1.1
117.07021	9.8
119.08585	8.1
121.06490	4.1
121.10095	7.0
121.40036	1.2
123.08048	3.2
123.11695	1.6
124.46457	1.2
125.09614	8.0
129.07036	5.4
131.08580	11.2
133.06528	2.9
133.10123	14.7
135.08090	4.3
135.11682	7.4
137.09612	1.8
141.07002	1.8
143.08577	4.5
145.06482	2.8
145.10143	9.1
147.08041	4.6
147.11684	3.7
147.92357	1.2
149.09665	2.3
149.13268	3.4
151.11221	3.9
153.09122	2.9
153.12727	3.8
155.08574	3.7
157.10187	2.8
159.11726	2.9
161.09680	2.3
163.11176	8.2
169.10194	2.5
171.08020	1.6
171.11731	2.9
173.09639	2.8
173.13220	1.3
175.11147	1.6
177.12810	2.5
181.12212	3.4
183.11633	1.7
185.13216	2.8
187.14767	1.4
189.11209	4.6
191.10651	2.5
193.12267	3.3
195.11798	1.4
195.13696	1.2
197.13300	2.0
207.13829	2.5
209.11731	1.9
215.14355	1.9
227.12790	5.4
231.13737	1.6
233.15361	3.7
259.60764	1.4
269.17502	8.8
283.15457	4.9
339.22995	2.1
349.21878	1.9
357.24103	4.7
367.22675	12.7
385.19342	2.2
385.23792	26.1
403.24786	7.6
431.27972	2.6
441.26187	3.2
447.60010	1.4
459.27423	99.3
460.27747	3.8
477.28500	100.0
478.28705	4.1
495.29501	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	674.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35799	1.0
55.01872	4.1
55.05518	13.1
57.03453	5.6
61.02941	2.7
65.03948	1.2
67.05164	2.0
67.05507	23.8
69.03426	2.3
69.07061	6.9
70.12692	2.9
71.04987	2.0
79.05495	18.6
81.03418	6.9
81.07057	28.2
83.01323	1.3
83.04984	7.7
83.08627	9.9
85.02917	5.8
85.06525	2.0
85.29443	1.2
90.39539	1.1
91.05485	17.9
93.07047	18.7
95.04963	11.9
95.08611	10.5
97.02900	2.2
97.06528	3.6
97.10191	8.8
105.07032	12.1
107.04939	7.3
107.08595	12.3
109.06534	4.1
109.10181	10.1
111.04443	4.4
111.08063	3.1
117.07022	9.8
119.08585	6.5
121.06517	3.7
121.10149	6.2
123.08035	2.6
123.11706	1.2
125.09634	7.3
127.07538	1.1
129.07021	4.6
131.08572	8.5
133.06494	2.5
133.10110	11.3
135.08055	2.7
135.11665	6.7
143.08574	3.2
145.06473	3.4
145.10136	6.0
147.08118	1.8
147.11697	1.8
149.09583	1.7
149.13290	2.7
151.11223	5.5
153.09134	1.7
153.12740	3.3
155.08522	2.0
157.10143	3.2
159.08081	1.7
159.11696	3.5
159.74496	1.2
161.06012	1.5
161.09547	1.9
163.11180	7.4
165.12769	1.2
169.10190	1.5
171.08031	2.4
171.11659	1.4
173.09653	3.1
175.07483	1.4
175.11307	1.9
181.12268	4.0
187.11270	1.3
189.11218	3.1
191.10725	2.8
193.12283	2.0
195.11768	1.4
195.13783	1.9
199.11134	1.3
203.14619	1.2
207.13721	1.6
209.13318	1.4
213.12753	1.9
215.14314	2.6
227.12755	4.9
233.15405	5.6
239.14430	1.3
269.17480	6.6
283.15552	7.1
289.18222	1.1
309.03360	1.3
339.23248	1.8
349.21564	2.5
357.24255	4.5
367.22675	11.9
385.19394	0.8
385.23721	22.3
403.24756	5.5
431.28091	2.2
441.26447	1.5
459.27414	100.0
460.27771	3.3
477.28482	93.0
478.28625	3.9
495.29517	4.9
496.66486	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.9
55.05518	14.2
57.03434	4.0
61.02927	2.2
61.64952	1.2
62.01324	1.0
65.03931	1.8
67.05167	1.8
67.05510	25.2
68.95634	1.1
69.03431	2.6
69.07072	7.6
69.67770	4.1
69.68179	3.0
71.04991	2.2
73.02908	1.4
79.05499	18.6
81.03426	6.0
81.07059	25.0
83.04991	10.4
83.08622	11.6
85.02906	4.3
85.06522	2.2
89.73080	1.1
91.05484	19.0
93.07052	20.9
95.04977	11.9
95.08614	9.4
97.02917	2.4
97.06532	6.1
97.10176	10.7
105.07047	14.5
107.04981	8.3
107.08610	14.6
109.06525	3.5
109.10156	9.1
109.44866	1.1
111.04445	3.9
111.08099	3.7
111.75937	1.1
115.05462	1.0
117.07019	8.2
119.08575	6.5
121.06503	4.1
121.10140	7.2
123.04472	1.3
123.08092	2.7
123.11698	3.6
125.09653	7.0
128.06256	1.2
129.06999	4.4
131.08572	9.7
133.06500	2.2
133.10147	12.6
135.08054	3.5
135.11720	7.4
137.09657	1.5
143.08556	2.8
145.06491	3.0
145.10115	10.1
147.08046	2.4
147.11688	1.9
149.09604	2.2
151.11224	5.2
153.09149	3.0
153.12758	3.2
155.08557	2.5
157.10118	2.8
159.08060	2.0
159.11761	2.1
161.09633	2.5
161.13245	1.3
163.11179	7.4
167.08502	1.2
169.10133	2.2
171.08043	2.0
171.11742	2.1
173.09630	2.1
175.11234	1.1
177.12788	1.3
181.12276	4.3
183.11671	1.4
187.11234	1.8
187.14867	1.4
189.11217	3.9
191.10655	2.6
193.12291	1.4
195.11736	2.0
195.13757	2.4
197.13287	2.9
199.11279	1.7
205.15816	1.6
207.13858	1.8
211.14690	1.2
215.14351	1.9
227.12628	5.3
233.15382	3.6
243.13727	1.2
269.17563	8.4
273.15033	1.6
283.15320	5.4
287.16400	1.8
339.23065	2.2
349.21710	2.6
357.24176	3.0
357.78519	1.2
367.22665	9.6
385.23758	25.4
403.25009	5.3
431.27725	2.3
441.26105	1.6
449.28580	1.1
459.27441	100.0
460.27768	2.3
477.28528	93.9
478.28802	3.1
494.22028	1.2
495.29547	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	673.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	5.2
53.03939	12.4
55.01858	10.9
55.05518	20.8
57.03437	13.2
65.03933	6.7
65.55675	2.4
67.05173	3.3
67.05507	50.9
69.03429	23.4
69.07053	10.5
69.38228	5.8
69.38638	20.5
71.01331	3.0
71.04994	7.9
79.05497	74.9
81.03424	49.9
81.07060	43.6
83.04984	20.5
83.08611	8.1
85.02900	11.6
91.05487	100.0
93.07053	61.4
94.07395	2.5
95.04984	25.3
95.08608	32.1
97.02897	15.1
97.06526	11.1
98.50361	2.8
99.04489	6.0
103.05473	9.2
105.04533	2.9
105.07038	53.2
107.04967	17.1
107.08589	19.5
109.02869	5.4
109.06515	12.6
109.10147	5.1
111.04423	5.5
113.02348	2.6
115.05431	12.6
117.07021	50.1
117.93641	2.7
119.08588	44.5
121.06492	9.4
121.10188	7.3
123.04445	4.1
123.08079	8.3
127.03910	9.3
128.06229	20.4
129.05505	5.5
129.07010	64.6
131.08580	32.3
133.06477	15.4
133.10153	15.0
135.08061	8.3
135.11726	5.1
137.09583	3.2
141.07027	19.0
142.07841	6.0
143.08568	28.6
145.06491	11.0
145.10120	19.6
147.08054	22.4
147.11693	24.0
149.09601	4.8
153.06998	8.7
155.08607	13.1
157.06528	3.4
157.10159	14.3
159.08070	4.5
159.11713	9.0
161.09621	7.2
161.13234	11.1
163.11214	3.2
165.07027	13.5
165.09123	3.1
166.07811	4.5
167.08549	19.2
169.10118	15.4
171.08052	8.2
171.11673	27.9
173.04491	24.2
173.05862	3.8
173.09520	3.8
179.08546	4.1
181.10114	6.6
183.11723	5.9
185.09619	5.4
185.13281	15.4
187.11230	14.3
187.14899	4.7
189.12735	10.7
193.10156	7.8
195.11717	16.2
201.12657	4.5
203.14313	5.1
207.11967	5.2
207.13800	19.6
209.09599	5.1
211.11240	7.1
213.12799	25.3
219.11661	4.4
227.14391	3.5
231.13783	13.5
237.12788	3.6
271.16830	2.9
275.14072	4.8
275.20078	4.3
281.17477	47.5
287.16483	6.9
293.15250	5.0
305.17538	11.8
309.17010	3.2
327.09528	3.0
375.17892	3.7
511.30417	16.4
581.30267	4.1
637.33356	4.0
655.34595	7.8
673.36029	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	672.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.6
55.01855	1.9
55.05507	7.9
57.03433	10.9
57.07082	46.4
59.53210	1.7
61.02934	13.3
62.05025	1.4
67.05509	19.4
69.03432	12.6
69.07066	10.1
71.04992	2.2
71.08639	40.1
71.57169	2.1
73.02924	2.2
75.04474	5.2
79.05509	3.0
81.03423	7.8
81.07061	24.0
83.08620	20.8
85.02911	36.3
85.10194	21.2
91.03976	15.0
93.05531	17.5
93.07044	3.4
95.08617	36.5
96.88857	1.5
97.02889	18.1
97.10165	7.2
99.04465	4.4
109.02876	8.1
109.10157	20.1
115.03965	2.4
123.11735	10.4
127.03921	19.9
129.05434	1.8
145.04987	21.8
151.14731	1.9
163.06026	19.3
220.23805	2.0
239.23705	34.1
257.24878	3.4
313.27066	2.1
383.27954	34.9
401.28998	100.0
402.29553	3.0
423.24817	1.8
590.74097	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.3
55.01864	1.9
55.05514	8.8
57.03443	5.5
57.07082	0.9
59.61862	0.7
65.03931	2.3
67.05511	31.9
68.50346	0.7
69.03447	0.7
69.07073	9.2
71.04993	1.5
71.08619	0.7
73.06580	0.8
75.76863	0.6
79.05501	32.6
79.05965	1.5
81.03419	3.3
81.07067	35.0
83.04996	6.8
83.08624	5.5
85.02888	1.7
85.06577	1.7
91.05489	24.7
93.07051	40.3
95.04976	7.9
95.08614	13.5
97.02903	0.7
97.06506	4.4
97.10192	1.1
98.21461	1.1
99.08067	0.8
105.04500	0.9
105.06377	1.2
105.07040	14.0
107.04964	2.6
107.08612	14.2
109.02865	1.0
109.06524	3.2
109.10192	3.1
111.08086	2.9
111.64912	0.7
115.05546	0.8
117.07019	5.2
119.08582	7.9
121.06500	1.9
121.10155	6.0
123.08099	2.0
127.03915	1.1
128.06253	1.1
129.07024	5.9
131.08568	3.9
133.10135	4.9
135.08127	0.7
135.11699	2.8
138.62440	0.7
143.08539	3.6
145.10117	4.7
147.11700	12.4
149.13266	10.0
159.11667	3.6
161.09644	1.3
161.13326	2.6
171.11726	9.2
175.61053	0.6
177.12799	1.7
189.12708	3.7
195.13844	2.7
207.13846	10.3
212.16457	2.8
225.14861	0.9
229.03477	1.0
238.17986	1.3
256.19125	4.4
265.30807	0.7
269.17505	26.2
281.17493	27.0
424.30856	1.6
430.31351	0.7
475.30594	100.0
476.30826	2.8
568.89899	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
55.01880	1.4
55.05508	7.5
57.03428	3.2
57.07074	1.4
67.05173	1.7
67.05511	26.7
68.85150	1.0
69.03459	1.2
69.07072	11.9
71.04989	1.7
71.56917	1.5
71.60652	1.2
78.79334	1.1
79.05497	31.5
81.03426	3.6
81.07063	35.8
83.04977	4.9
83.08640	6.4
85.02927	2.3
85.06531	1.8
91.03921	1.6
91.05490	19.9
93.07046	29.4
95.04973	8.4
95.08614	11.3
97.02905	2.7
97.06520	3.5
97.10188	1.5
105.07034	13.7
105.20473	1.1
107.04966	1.8
107.08598	14.1
109.06528	1.5
109.10168	2.8
111.08124	2.1
117.07034	4.1
119.08594	7.6
121.06531	1.2
121.10149	5.4
121.46632	1.1
123.08069	2.0
123.11711	1.6
129.06987	4.9
131.08571	3.5
133.10141	7.8
135.11697	4.5
143.08504	2.5
145.10112	3.2
147.11699	12.3
149.13263	5.6
159.11670	4.0
161.13289	3.2
171.11719	8.3
189.12685	2.7
195.13698	2.6
207.13863	9.3
220.16315	1.1
269.17508	19.7
281.17529	21.1
312.25891	1.5
313.26642	1.2
380.13699	1.3
475.30573	100.0
476.30731	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	671.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	14.0
55.01870	15.1
55.05511	24.1
57.03425	15.5
61.02918	4.8
62.97532	4.0
65.03954	7.0
67.05515	43.7
69.03431	24.4
69.07066	12.7
69.43755	32.5
71.04985	7.5
79.05492	62.4
81.03424	67.4
81.07055	33.6
83.04986	22.6
83.08617	4.6
85.02909	14.4
91.05484	100.0
93.07054	44.0
94.20074	4.1
94.68409	4.6
95.04970	31.2
95.08590	15.6
97.02898	14.7
97.06546	7.0
99.04440	8.8
103.05472	7.6
105.07048	48.7
107.04951	17.1
107.08595	18.0
109.02859	8.4
109.06572	8.7
109.10164	6.4
111.04482	4.3
115.05453	41.0
117.07029	91.3
119.04960	6.7
119.08594	25.7
121.06500	9.0
121.10131	5.0
123.04418	4.1
123.08095	6.5
127.03934	8.6
128.06219	18.1
129.05473	18.8
129.07005	43.3
131.04913	10.9
131.08589	23.0
133.06541	20.1
133.10115	16.7
135.08081	9.5
141.07011	39.6
143.08548	25.7
145.06491	70.6
145.10127	13.8
147.04346	5.4
147.08070	11.2
147.11694	11.6
149.02348	4.3
152.06198	4.1
153.06950	9.4
154.07780	6.2
155.08566	34.2
157.06488	5.7
157.10129	14.2
159.08107	10.0
159.11664	7.9
161.09644	9.1
161.13300	9.3
165.06999	10.7
166.07817	6.6
167.08594	23.3
168.09329	5.4
169.10114	26.3
171.08122	8.2
171.11687	15.4
173.04475	24.3
173.09593	6.8
178.07753	12.2
179.08517	5.2
181.10114	4.8
183.08119	8.4
183.11681	27.5
185.09637	11.7
187.11211	9.2
189.12726	7.0
193.10164	14.0
195.11620	6.3
197.09718	4.5
199.11147	4.9
201.12741	10.6
202.07906	4.0
207.13672	8.4
211.11234	46.6
229.12257	21.6
235.20770	4.1
251.17966	4.6
281.17340	22.9
303.15930	16.1
509.28799	9.4
625.35852	4.6
671.33521	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	670.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	21.7
55.56981	2.6
57.03430	6.2
57.07080	16.3
61.02927	30.5
66.70873	2.6
66.93197	2.4
67.05231	3.4
67.05517	45.4
69.03423	4.1
69.07074	34.4
69.45782	23.8
71.08630	7.1
73.02921	9.0
76.72128	2.6
79.05502	19.7
81.07065	56.0
83.08622	40.4
85.02907	41.0
87.04455	2.9
91.03970	31.0
93.07056	29.5
94.35938	3.1
95.08614	42.8
97.02906	17.7
97.06535	12.6
97.10184	24.8
105.07092	3.0
107.08588	21.1
109.10146	21.5
111.08072	6.8
111.11742	4.0
121.09309	4.1
121.10149	55.2
123.11724	19.1
125.09687	4.3
127.03936	16.2
128.68077	3.1
135.11708	34.6
137.13246	10.5
139.11217	5.2
145.04958	15.2
149.13315	15.2
163.06032	24.5
163.14877	7.5
166.92891	3.3
185.72900	2.9
219.21107	57.0
237.22139	100.0
255.23206	33.0
262.55072	3.1
311.25806	73.3
329.26843	80.0
475.42767	3.5
486.57086	3.5
486.98611	3.2
601.44635	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	670.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.3
55.01868	1.2
55.05264	2.1
55.05515	33.1
57.03449	7.4
57.06833	1.7
57.07081	23.8
60.26054	1.1
61.02652	1.3
61.02933	21.3
61.60303	1.2
62.57601	1.1
67.05511	16.9
69.03426	4.4
69.07075	50.3
69.07452	2.6
69.45309	1.2
69.80396	6.1
71.04982	1.6
71.08640	13.3
71.73721	1.3
73.02913	7.9
75.04504	2.5
79.05509	9.8
81.03383	2.1
81.07063	23.3
81.64292	1.1
83.04988	1.8
83.08631	44.1
85.02423	1.8
85.02912	28.1
85.06564	1.5
85.10190	6.5
91.03961	21.0
91.05511	1.4
93.07056	13.1
95.08618	14.5
97.02901	11.3
97.04150	1.1
97.06548	8.5
97.10180	41.6
98.20749	1.8
99.04450	2.2
99.08084	1.4
107.08610	11.3
109.10169	9.9
111.08097	4.9
111.11720	13.4
115.03926	1.7
121.10158	22.8
123.11732	6.8
125.09628	3.7
125.13297	1.7
127.03933	9.2
129.09081	1.4
135.11716	17.4
137.13246	4.1
139.11176	2.0
145.04967	9.5
149.13234	9.9
153.12740	3.1
157.12241	1.9
163.06049	15.2
163.14880	5.7
167.14317	2.8
171.13824	2.0
177.16324	2.5
181.15770	1.6
185.15425	1.4
219.21107	25.2
237.22151	38.2
255.23209	36.7
279.16187	1.5
280.16199	1.8
282.17746	1.3
311.25824	100.0
329.26883	33.8
358.43423	1.3
407.28992	1.2
473.31104	10.6
476.31161	2.9
578.33789	1.7
670.39233	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	24.9
57.03436	7.2
57.07085	14.6
61.02934	21.8
67.05518	33.3
69.03432	4.3
69.07073	44.1
70.00492	9.1
71.04990	4.7
71.08624	8.1
73.02918	13.6
75.04486	3.1
79.05499	20.8
81.07069	52.6
83.04973	4.1
83.08624	43.2
85.02908	30.6
85.10181	4.0
91.03960	28.5
91.05506	5.2
93.07056	31.4
95.08617	40.6
97.02921	22.8
97.05994	2.6
97.06558	9.2
97.10178	23.3
105.07017	3.3
107.08585	19.2
109.10162	18.0
110.19030	2.6
111.08112	6.5
111.11717	6.2
121.10156	49.6
123.11707	14.3
125.09615	4.7
127.03915	11.0
135.11696	41.2
137.13249	12.7
139.11201	3.0
145.04947	11.3
149.13263	12.7
163.06026	23.8
163.14809	12.3
172.30521	2.8
196.61705	3.0
219.21109	59.0
237.22142	100.0
255.23285	30.0
311.25806	89.4
312.26050	3.0
329.26862	71.8
402.80878	3.0
473.30859	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	670.401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.4
53.43992	1.9
55.05515	25.0
57.03436	8.9
57.07072	15.2
58.80862	2.2
61.02930	24.5
67.05181	2.0
67.05514	32.6
69.03428	3.9
69.07070	36.5
71.04986	3.8
71.08622	7.3
71.56815	3.0
73.02924	13.3
74.77000	2.0
75.04485	3.9
79.05499	20.2
81.03402	2.9
81.06632	3.6
81.07065	36.7
83.03446	1.9
83.08624	31.0
85.02903	33.7
85.10184	4.0
86.96871	2.0
91.03967	23.6
91.05446	2.2
92.36014	1.9
93.07049	22.7
94.75390	2.1
95.08620	34.8
97.02909	13.1
97.06556	7.4
97.10175	18.6
99.08056	2.4
107.08604	17.1
109.10173	13.0
111.08101	4.4
111.11713	3.2
115.03919	3.1
121.10148	37.8
123.11716	12.4
125.09644	3.9
127.03944	11.1
135.11708	31.4
137.13257	9.0
145.04936	13.0
149.13248	14.2
153.12686	2.6
163.06013	18.7
163.14807	5.5
164.41943	2.0
219.21094	41.9
237.22153	100.0
255.23183	24.4
311.25818	78.8
311.29578	2.1
312.26129	2.9
329.26868	66.0
330.26929	3.0
584.75702	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.3
55.05512	21.4
57.03441	6.7
57.07074	12.4
59.19006	1.7
61.02932	25.4
67.05508	33.8
69.03454	3.2
69.07072	31.8
70.41031	2.6
70.41384	5.8
71.05009	3.0
71.08640	7.0
71.14922	1.9
73.02923	10.0
75.04494	2.0
77.32920	2.0
79.05499	15.8
81.03415	3.5
81.07065	45.2
83.08627	36.9
85.02906	30.6
85.06534	3.1
85.10180	4.3
88.94058	1.8
91.03972	23.5
91.05465	4.3
93.05505	2.0
93.07053	27.5
95.08611	31.1
97.02896	14.0
97.06564	10.8
97.10177	17.4
99.08084	2.8
107.08598	22.5
109.10168	17.5
111.08095	7.5
111.11741	5.8
121.10150	43.4
123.11723	15.7
125.09616	3.3
127.03902	11.8
135.11700	39.4
137.13240	12.5
137.98116	1.9
139.11194	4.0
145.04974	10.8
149.13232	13.8
153.12798	2.4
157.12143	1.9
163.06023	16.7
163.14877	6.3
164.44405	1.8
177.16394	2.4
219.21085	48.1
237.22144	100.0
253.58986	1.8
255.23195	30.2
311.25815	73.6
329.26889	65.7
473.30978	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	669.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.7
63.89233	0.7
67.05500	1.3
68.01402	0.9
71.11508	0.7
71.11823	1.0
79.05487	2.1
80.05001	1.5
84.96386	0.7
93.05782	1.4
94.06565	4.4
95.04955	0.7
96.04511	1.3
96.08102	1.0
106.06538	1.3
107.04939	2.0
108.04462	1.6
108.08121	1.7
110.06051	2.0
122.06049	6.9
123.06844	1.4
124.07605	5.6
129.48756	0.7
134.05989	1.7
136.02219	0.7
136.03952	2.3
136.56013	0.8
138.09151	5.1
140.07034	0.8
150.05521	14.4
152.07083	8.8
158.05972	1.0
163.08740	0.9
167.60284	0.8
172.07553	1.4
174.05550	0.9
174.09123	1.3
175.08676	2.4
176.07065	1.4
177.06683	1.1
178.05008	11.4
186.05556	0.9
189.10274	2.1
191.08144	2.6
192.06541	1.2
196.06082	7.0
200.07077	2.6
201.06625	1.5
201.10371	0.9
202.08743	1.9
203.08165	41.1
204.06590	16.6
204.08464	1.0
213.08435	0.8
213.10286	1.8
215.11877	1.1
217.09731	15.6
218.08124	1.7
219.07674	0.8
227.08052	1.4
228.06564	1.4
229.05977	3.6
229.09726	1.1
229.13504	0.8
230.08162	1.0
231.11368	1.9
233.09219	2.3
234.09950	2.0
235.10806	6.7
241.09828	0.9
241.13307	0.8
243.07742	1.8
243.11325	1.1
245.09235	35.4
246.07620	4.2
246.13739	1.1
247.10829	1.7
248.09227	0.8
257.12863	1.9
259.10849	2.6
259.14322	3.3
261.12363	3.0
263.10291	41.8
269.09375	1.1
271.07190	2.4
274.13245	5.2
275.13925	15.0
276.12189	1.2
287.10294	13.5
289.08292	1.2
289.11664	1.4
301.12003	1.5
305.11334	100.0
306.11639	2.7
307.12863	3.8
322.15466	1.3
331.09430	0.9
333.11017	0.7
336.40222	0.8
338.15051	1.0
339.17188	1.5
380.19815	2.0
381.18164	2.4
382.21500	1.8
398.20981	4.1
408.19214	2.2
424.18823	2.6
426.20233	41.4
427.20651	1.8
438.70496	0.8
444.21338	22.0
445.21576	1.0
452.18289	4.4
456.21277	2.9
466.15744	0.8
470.19522	4.8
474.22272	1.1
482.19016	0.8
500.16556	0.9
603.24768	6.0
621.25513	12.2
622.26373	1.2
639.26581	6.3
669.27563	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06345	0.6
55.01877	1.7
71.12509	1.2
79.05483	1.9
80.04996	1.5
93.05775	1.7
94.06562	3.9
96.04482	0.7
96.08144	0.9
98.06010	0.8
105.04532	0.7
106.06525	1.8
107.04956	2.2
108.04496	1.4
108.08160	1.5
110.06004	1.2
122.06028	5.0
123.06777	1.5
124.07565	5.5
132.04424	0.9
134.06001	2.7
136.03951	2.2
138.09148	5.3
148.07564	0.8
150.05505	14.5
152.07054	9.0
158.06009	1.2
158.08113	0.9
172.07631	2.4
174.05435	0.9
174.09125	1.4
175.08743	3.7
176.07086	1.7
177.06544	0.8
178.04994	10.0
186.05453	1.0
188.07062	0.9
189.10257	2.7
191.08182	3.0
196.06032	7.2
199.08618	0.8
200.07076	2.2
201.06656	1.4
202.08681	2.2
203.08153	35.9
204.06552	16.1
204.08478	1.6
213.10220	2.0
215.11777	0.8
217.09718	17.6
217.11819	1.0
218.08147	1.2
227.08156	1.3
229.06140	4.3
230.08379	0.8
231.11310	2.9
233.09169	1.5
234.10042	2.9
235.10762	17.5
241.09761	1.2
243.07579	1.3
243.11305	1.3
245.09215	34.6
245.12872	1.4
246.07622	6.4
246.09784	1.1
247.10910	1.2
248.09184	1.1
257.12851	3.1
259.10776	3.5
261.08643	0.7
261.12314	3.2
263.10272	44.8
264.10623	0.9
269.09286	1.6
271.07144	2.9
274.13138	6.2
275.13901	17.4
287.10245	14.7
289.08350	1.6
289.11679	1.3
301.11761	1.6
305.11316	100.0
306.11572	1.7
307.12909	2.3
322.15213	0.8
333.10818	0.8
339.17044	1.0
380.19754	2.3
381.18216	1.7
393.53259	0.7
398.20831	5.0
408.19150	2.6
424.18628	1.4
426.20227	44.8
427.19742	0.7
430.16147	2.5
434.16974	1.1
444.21262	17.4
452.18137	3.4
456.21100	1.6
470.19348	4.8
500.16644	2.0
575.24542	0.9
603.24451	4.7
621.25464	19.2
639.26556	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	669.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01874	1.8
65.22912	0.9
66.19034	0.9
67.05502	1.9
69.24374	0.8
69.40002	7.8
78.33609	0.8
79.05517	1.0
80.05030	0.9
81.07088	0.9
93.05774	1.6
94.06564	4.3
96.08139	1.0
98.21420	2.1
100.86427	0.9
106.06544	2.2
108.04485	1.4
108.08130	0.9
122.06026	5.5
123.06863	1.6
124.07611	5.4
134.06030	3.6
136.03914	2.1
138.09102	4.6
140.07135	1.3
148.07600	1.1
150.05510	13.3
152.07065	9.9
166.93271	0.8
174.09059	1.7
175.08696	2.7
176.07117	1.9
176.09433	1.1
177.06642	1.4
178.05020	11.6
186.05464	1.4
189.10214	3.4
191.08183	2.1
192.06584	1.5
195.80083	1.0
196.06079	5.8
200.07109	2.4
201.06665	1.3
202.07135	1.5
202.08762	2.3
203.08165	37.6
203.10097	1.9
204.06602	15.6
213.10277	2.3
215.08263	1.3
215.11826	1.0
216.10217	1.2
217.09721	15.8
218.08099	1.7
219.07637	1.4
227.08131	1.5
229.06082	5.1
230.08205	1.6
231.07680	1.1
231.11292	1.9
233.09227	1.3
234.09982	2.3
235.10768	11.1
241.09845	1.5
243.07718	1.4
243.15175	1.0
245.09227	31.9
245.12971	1.4
246.07455	4.9
247.10796	2.4
257.12790	2.8
259.10791	3.4
261.08704	1.1
261.12366	3.2
263.10291	43.3
269.09100	1.4
271.07095	2.4
274.13153	3.3
275.13892	14.5
287.10284	14.6
289.08304	1.9
289.11673	2.0
301.11996	1.9
305.11325	100.0
306.11642	1.8
307.12888	2.5
323.40012	0.8
331.09503	1.1
333.57272	0.9
339.16867	1.2
351.11777	1.2
380.19843	2.2
381.18018	1.5
392.95477	1.2
396.98450	2.0
398.20721	3.5
408.19400	2.4
424.18704	1.2
426.20276	41.4
427.20029	1.4
430.16165	2.8
444.21274	21.1
452.18362	5.4
470.19287	6.8
474.22189	1.9
500.16409	2.3
523.01910	1.5
542.40192	1.0
549.71539	1.0
585.23535	1.0
603.24518	5.9
604.26520	1.2
621.25513	13.2
639.26489	8.0
669.28412	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89871	2.2
55.05529	12.9
55.05742	2.3
57.03434	4.1
57.07063	8.2
61.02935	22.0
67.05509	52.3
69.03423	5.1
69.07076	11.7
69.61647	15.9
71.08644	3.8
73.02910	6.0
79.05517	13.7
81.07064	65.6
83.08611	8.9
85.02908	25.1
85.06525	3.2
85.10188	4.5
91.03964	20.6
91.05461	13.9
93.07054	21.7
95.08614	49.7
97.02894	13.6
97.06522	6.0
97.10163	4.4
99.08089	6.0
105.07033	12.3
107.08583	8.6
109.10159	22.5
111.08057	2.7
113.09630	7.4
117.07033	2.5
118.89571	2.1
119.08578	15.1
119.52229	2.1
121.10149	15.3
123.08032	3.9
123.11684	12.0
127.03905	6.2
127.11236	4.7
133.10152	17.0
135.11694	16.3
137.09654	3.0
137.13257	17.7
138.41705	2.1
145.04932	8.9
147.11691	10.2
149.13235	5.1
151.14844	12.7
161.13315	12.5
163.06033	18.3
175.14836	4.3
217.19540	61.1
235.20590	100.0
235.59741	2.5
253.21750	3.1
292.45789	2.4
309.24280	45.1
327.25235	10.2
471.28909	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	668.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78113	2.1
55.05510	10.0
57.03428	2.5
57.07069	7.4
59.28336	2.2
61.02934	24.6
67.05515	47.0
69.03442	2.9
69.07063	9.7
70.81825	7.2
71.08634	4.0
73.02917	7.4
79.05508	12.2
81.07067	53.5
83.04978	2.8
83.08631	9.0
85.02906	29.3
91.03966	18.9
91.05480	17.5
93.07041	15.3
95.08609	50.6
97.02896	11.1
97.06544	6.0
97.10201	5.8
99.08099	4.3
105.07027	8.2
107.08586	8.4
109.10142	16.2
111.08070	3.4
113.09627	4.3
119.08595	14.7
121.10143	15.5
123.11720	10.6
126.88596	2.6
127.03905	5.4
127.11207	3.7
133.10159	16.5
135.11708	12.2
137.09669	2.6
137.13237	13.0
145.04944	8.3
147.11658	9.2
149.13318	5.3
151.14816	10.6
151.36235	2.3
156.96237	2.2
161.13281	9.1
163.06042	16.6
175.14822	6.0
189.16525	4.0
217.19536	62.5
235.20581	100.0
239.23677	2.4
248.40932	2.6
309.24237	21.9
327.25269	8.6
380.42038	2.5
420.17657	2.4
422.58954	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	666.5304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.5
55.05513	8.8
57.03443	8.8
57.06831	2.5
57.07082	35.0
67.05508	24.5
68.46651	1.7
69.07072	11.2
69.22439	1.6
70.86932	3.2
71.05017	2.8
71.08278	2.5
71.08636	32.7
79.05106	2.1
79.05499	19.5
81.03432	2.1
81.07056	19.4
83.04981	5.9
83.08617	7.2
85.06516	2.1
85.10188	12.9
91.05485	31.1
91.86058	1.7
93.07053	13.5
95.04965	2.6
95.08617	22.8
96.27491	1.7
97.06537	4.1
97.10152	3.3
99.08102	6.6
101.81235	1.8
105.07022	15.0
107.04927	2.3
107.08583	5.4
109.06504	4.6
109.10144	6.8
115.05444	5.8
117.07021	25.6
117.28578	2.3
119.08584	10.7
121.06567	2.5
121.10153	5.0
123.08036	3.2
123.11723	3.2
128.06284	3.1
129.07002	16.5
131.08582	13.9
133.06470	2.0
133.10170	2.8
135.08038	7.2
135.11618	2.4
137.13194	1.7
139.11180	6.5
139.12282	1.8
141.06985	13.2
141.12752	3.4
142.07797	2.7
143.07622	1.7
143.08524	9.7
145.06493	2.4
145.10124	9.4
147.08107	3.9
149.09604	2.7
155.08571	6.9
157.10135	8.5
159.08113	2.1
159.11713	7.1
161.09660	3.1
167.08553	4.1
169.10139	9.2
171.11670	6.1
173.13393	4.0
175.11139	2.6
181.10153	4.2
183.11690	6.4
185.13263	7.0
187.11176	5.7
195.11679	3.2
196.59097	1.8
199.11198	2.9
199.14842	3.3
201.12756	6.9
203.14337	2.7
209.13179	2.1
219.13864	2.6
229.25471	1.6
239.17899	3.3
239.23744	3.3
241.19489	2.1
265.19565	3.3
283.20554	6.5
293.17526	8.8
301.21576	4.9
313.27383	100.0
314.27753	3.6
375.25119	4.2
386.34988	1.9
531.40485	20.5
613.48407	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	667.3305
Annotation	strychnogucine B
Peak:m/z	Relative Intensity
64.06238	0.8
67.05502	1.6
69.07066	0.9
70.10972	2.8
76.18379	0.8
79.05511	1.5
81.07052	2.9
81.94625	0.8
83.08656	1.0
85.86443	0.7
93.07039	1.4
95.04945	1.1
95.08607	1.7
108.26110	0.8
109.10194	0.8
121.10140	1.2
121.51400	0.9
121.52235	0.9
125.09627	0.9
133.03510	1.0
141.05153	0.8
143.08507	1.1
165.09151	1.2
183.60318	0.8
184.82935	0.8
185.04218	1.1
186.68785	0.8
199.05847	2.3
201.06158	0.9
218.32692	0.9
220.80244	0.9
227.05209	1.2
245.13974	1.1
277.09012	3.2
301.08997	1.8
317.08524	1.0
319.09860	4.3
363.08978	6.4
419.27496	5.0
481.23669	0.9
499.24802	1.7
541.26349	3.4
558.10284	0.9
563.31683	2.3
581.32825	10.9
585.25549	2.7
605.32843	3.9
623.34064	34.5
624.33636	1.1
649.32294	2.5
667.33014	100.0
668.33038	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	666.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67947	2.1
53.03949	4.1
55.05524	12.3
57.03429	8.2
57.07072	6.2
59.12059	2.0
61.02929	33.1
65.03906	2.2
66.05686	1.8
67.05168	4.3
67.05508	61.4
69.03432	7.1
69.07082	12.6
70.48825	7.0
71.04999	4.8
73.02933	13.8
74.42397	2.2
79.05499	55.9
81.03427	4.5
81.07065	76.3
83.04984	2.9
83.08611	5.9
85.02911	38.1
85.03380	4.2
85.06555	6.3
91.03461	3.7
91.03967	28.9
91.05482	30.6
93.06465	4.3
93.07050	62.4
95.04970	5.4
95.08614	49.3
96.01311	2.2
97.02905	22.5
97.06545	6.2
97.10200	2.5
99.08115	5.3
105.07049	18.9
107.08601	42.2
109.06501	3.7
109.10174	38.3
111.08136	3.4
111.51730	2.1
113.09648	5.4
117.07009	14.4
119.08591	16.8
121.10149	47.1
123.08080	2.5
123.11725	18.4
125.09594	3.7
127.03918	13.3
129.05431	2.0
129.07019	2.4
131.08556	24.9
133.10144	23.8
135.08049	3.0
135.11703	53.8
136.12012	2.1
137.09612	2.6
137.13264	4.7
139.11266	2.1
145.04982	15.2
145.10120	25.7
147.11684	14.0
149.09621	4.1
149.13272	30.5
151.11192	2.4
159.11690	23.1
161.13321	5.6
163.06073	20.2
163.11122	3.6
173.13258	20.2
175.14915	3.5
177.12747	2.4
187.14850	7.0
189.16512	2.8
189.65131	2.2
205.19550	8.3
215.17975	94.4
217.19543	2.4
233.19017	100.0
251.20126	7.1
307.22699	32.1
325.23770	44.1
359.06659	2.1
415.64090	2.6
469.28107	6.1
666.35364	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	666.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46821	2.4
55.05512	11.9
57.03443	5.9
57.07072	6.1
61.02927	35.0
67.05510	51.9
69.03426	7.2
69.07072	8.3
71.04990	6.2
71.56481	3.2
73.02911	10.1
76.75737	2.6
78.42976	2.7
79.05502	49.1
81.03423	3.0
81.07063	55.4
83.08627	8.4
85.02922	34.2
85.06551	8.6
91.03965	32.9
91.05485	25.3
93.07051	61.5
95.04977	5.7
95.08617	38.0
97.02895	17.4
97.06590	3.9
99.08085	10.5
105.07047	19.8
107.08607	35.7
109.10162	24.4
113.09628	5.3
117.07025	10.5
119.08575	18.1
121.10146	41.9
123.08111	2.9
123.11721	14.8
125.09615	3.0
127.03944	13.3
129.07014	4.3
131.08574	26.1
133.10136	21.9
135.11702	54.1
137.09589	5.4
137.13280	4.3
145.04951	13.2
145.10126	24.4
147.11668	18.0
149.13252	25.3
151.11177	3.6
159.11713	25.1
161.13297	4.9
163.06049	23.4
163.11174	2.9
168.93256	2.3
173.13248	15.0
173.39789	2.7
175.14847	3.1
177.12773	3.5
187.14870	8.3
205.16063	3.8
205.19527	10.8
215.17979	75.1
216.18394	2.7
233.19032	100.0
235.20551	4.0
251.20007	3.7
307.22729	10.7
325.23743	37.8
540.87543	3.0
666.28918	7.5
666.36774	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	664.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45955	5.2
53.03946	9.8
55.05507	12.0
55.64555	6.1
57.03433	10.0
67.05505	19.5
69.03439	67.4
69.07071	65.3
69.22987	20.2
69.23403	42.4
71.04990	12.5
72.63405	5.3
73.02913	9.5
79.05498	25.3
81.03423	48.2
81.07061	81.3
85.02919	61.2
87.00832	23.2
91.05479	17.8
92.93589	6.5
93.07050	51.8
95.08609	39.2
97.02901	37.1
99.04453	13.1
105.01872	14.2
105.07044	29.4
107.08617	48.4
109.02879	27.8
109.10159	32.8
111.11729	19.1
119.08588	50.3
121.10162	19.2
123.11714	20.4
127.03932	56.8
131.08553	12.5
133.10156	26.5
135.11705	36.6
139.11230	8.7
145.04956	17.1
145.10147	18.0
147.11700	18.6
149.13234	20.1
157.10161	6.1
157.83112	5.5
159.02963	28.2
159.11703	21.7
161.13287	5.3
163.14749	7.1
173.13332	8.5
173.60553	6.0
175.14809	8.1
177.04008	8.2
177.16469	9.4
183.06554	17.8
199.17131	7.1
201.07695	6.5
213.03940	5.4
215.17831	8.5
229.19528	5.4
231.04977	100.0
249.06117	41.3
254.03171	6.8
263.28262	6.2
271.24197	26.9
289.25217	18.7
305.08694	44.0
323.09744	25.4
336.88516	7.0
348.96509	6.9
510.08691	7.4
547.73578	6.6
664.29907	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	666.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26517	3.1
50.71138	2.7
53.03946	7.0
54.86092	2.8
55.05500	4.2
57.03432	11.4
57.07069	3.4
61.02931	4.4
61.07469	2.7
62.31614	2.8
65.22222	3.0
67.05511	6.9
69.03432	24.3
71.01336	3.6
71.04999	42.5
71.57008	4.1
73.02926	6.9
75.04485	3.7
77.20867	3.3
79.05473	4.1
79.68116	3.1
81.03423	28.7
81.07056	8.7
83.04993	21.5
85.02911	100.0
85.06559	7.0
86.09733	5.2
87.00843	20.1
91.05487	7.3
93.07033	6.1
94.19609	2.8
95.04959	4.1
95.08598	6.5
97.02897	22.2
97.06557	5.5
99.04455	10.6
103.03955	6.3
105.01892	30.4
105.07034	4.6
107.08604	4.0
109.02883	21.9
109.10195	7.0
111.04436	26.1
119.08588	4.5
121.06534	3.2
127.03928	50.0
129.01878	3.9
129.05495	22.8
145.04968	14.9
147.02885	3.9
147.06548	6.7
147.11650	4.0
159.02925	4.4
173.04396	3.3
177.05370	3.3
189.03957	9.9
209.19052	15.5
213.03917	7.0
231.05057	10.5
237.07600	11.6
249.06250	3.9
255.08592	7.9
255.19579	5.3
273.06149	5.0
315.10837	5.8
341.08875	7.5
359.09604	8.6
377.10764	3.6
405.54910	3.7
461.77484	3.7
608.87244	4.0
667.32269	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	664.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	3.5
57.06824	3.2
57.07081	43.8
64.73959	2.2
69.23956	2.3
69.24246	26.0
81.07039	4.4
83.04997	11.4
84.09072	2.2
91.05473	7.8
93.07003	2.8
95.08620	2.6
97.68020	2.5
104.28378	2.2
107.08573	2.9
117.07034	2.5
119.08554	3.8
121.10114	2.6
128.06230	3.6
133.10167	2.9
141.06982	6.3
142.87830	2.4
143.08490	3.0
147.02075	9.4
147.11710	27.5
159.08026	10.0
175.01521	4.6
197.13219	2.5
205.04131	3.8
207.00035	2.5
215.14296	7.0
223.05197	52.8
241.06308	4.7
244.99748	10.1
254.96889	2.4
271.20618	8.2
279.11469	13.3
296.30090	2.7
321.02826	4.4
325.41364	2.7
327.07715	3.5
335.17618	6.9
397.05927	3.7
433.15421	11.9
440.20578	2.4
453.12308	4.9
509.18457	17.8
552.32910	4.4
565.24652	19.5
621.31085	100.0
622.31171	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	663.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50937	7.7
51.33320	7.2
55.01822	7.8
55.05503	23.7
57.03437	12.5
67.05495	39.2
69.03442	45.0
69.07060	19.3
71.04986	13.5
71.56939	12.9
79.05490	36.9
81.03420	20.9
81.07072	100.0
83.08610	12.8
85.02902	36.3
91.05475	29.2
93.07043	65.6
95.04971	13.2
95.08608	55.9
97.02888	20.7
97.06540	14.1
97.10162	8.7
99.08083	9.9
105.01859	7.9
105.07037	29.9
107.08603	69.8
109.02907	15.2
109.06493	8.2
109.10166	59.7
117.07020	14.8
119.08591	52.3
121.06531	10.8
121.10145	28.4
123.11752	14.8
125.09703	12.7
127.03919	31.5
127.11236	13.2
131.08586	15.9
133.10123	26.5
135.11665	47.2
137.06012	7.7
139.11209	9.4
143.08527	9.9
145.04918	10.1
145.10098	22.5
147.11668	20.9
149.09619	9.2
149.13275	15.4
155.10686	8.6
157.10159	13.4
159.11757	18.9
161.13232	18.1
168.66896	7.3
171.11621	11.2
173.13237	15.4
175.14925	8.6
177.12668	12.3
187.14822	10.5
189.12762	9.1
189.16449	10.1
199.14786	12.7
201.16345	21.3
209.15373	15.7
213.16364	19.8
219.17386	9.0
231.05077	31.2
249.06116	10.2
269.22607	17.1
274.94696	8.5
283.10797	9.8
287.23587	16.1
305.08377	10.7
313.84488	7.9
375.92160	7.5
376.86874	8.2
490.88757	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	663.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50937	7.7
51.33320	7.2
55.01822	7.8
55.05503	23.7
57.03437	12.5
67.05495	39.2
69.03442	45.0
69.07060	19.3
71.04986	13.5
71.56939	12.9
79.05490	36.9
81.03420	20.9
81.07072	100.0
83.08610	12.8
85.02902	36.3
91.05475	29.2
93.07043	65.6
95.04971	13.2
95.08608	55.9
97.02888	20.7
97.06540	14.1
97.10162	8.7
99.08083	9.9
105.01859	7.9
105.07037	29.9
107.08603	69.8
109.02907	15.2
109.06493	8.2
109.10166	59.7
117.07020	14.8
119.08591	52.3
121.06531	10.8
121.10145	28.4
123.11752	14.8
125.09703	12.7
127.03919	31.5
127.11236	13.2
131.08586	15.9
133.10123	26.5
135.11665	47.2
137.06012	7.7
139.11209	9.4
143.08527	9.9
145.04918	10.1
145.10098	22.5
147.11668	20.9
149.09619	9.2
149.13275	15.4
155.10686	8.6
157.10159	13.4
159.11757	18.9
161.13232	18.1
168.66896	7.3
171.11621	11.2
173.13237	15.4
175.14925	8.6
177.12668	12.3
187.14822	10.5
189.12762	9.1
189.16449	10.1
199.14786	12.7
201.16345	21.3
209.15373	15.7
213.16364	19.8
219.17386	9.0
231.05077	31.2
249.06116	10.2
269.22607	17.1
274.94696	8.5
283.10797	9.8
287.23587	16.1
305.08377	10.7
313.84488	7.9
375.92160	7.5
376.86874	8.2
490.88757	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	663.3379
Annotation	Minutoside A
Peak:m/z	Relative Intensity
50.19274	6.9
53.03953	9.8
55.05513	37.8
57.03440	9.2
67.05503	31.9
69.03443	9.0
69.07066	16.8
71.56992	11.6
72.22196	5.8
79.05500	43.2
81.03442	15.3
81.07063	33.0
83.08633	24.5
84.45756	6.0
85.02891	11.4
91.05476	44.7
93.07030	35.2
95.04960	12.7
95.08636	13.1
97.02914	5.9
97.06548	7.5
97.10181	27.3
97.36003	6.1
105.07030	20.1
107.08604	20.0
109.10179	14.7
115.05479	8.9
117.07038	10.8
119.08551	10.2
121.10159	9.3
125.09639	24.2
127.03938	8.9
128.06200	10.4
129.07011	24.8
131.08586	23.8
135.08083	8.7
141.07005	11.4
142.07858	7.0
143.08583	14.8
147.08041	8.2
153.07022	20.2
155.08598	38.6
167.07092	100.0
167.08585	15.9
169.10107	11.0
171.07961	7.5
171.11778	9.4
173.09727	8.4
179.08597	17.5
181.10136	15.0
189.11237	17.1
193.10065	7.8
195.08141	8.1
195.11722	10.2
197.09776	9.0
199.11221	9.3
209.13411	8.1
211.11308	9.8
219.11671	9.6
221.13284	13.2
223.11235	8.9
227.12798	27.5
239.14328	29.5
316.45956	6.4
345.22156	6.9
373.21713	18.3
381.24268	7.2
391.22565	20.3
409.23679	8.1
465.26224	31.5
483.27463	68.7
501.28207	8.1
594.17456	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	663.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.7
55.01875	0.8
55.05508	1.4
57.03431	1.6
61.02929	3.3
63.24879	0.3
65.03925	0.4
67.05517	3.6
69.03445	1.7
69.07061	1.0
69.44705	0.4
69.45036	2.7
71.01344	0.3
71.04987	0.6
73.02917	2.1
79.05491	4.8
81.03429	2.0
81.07063	2.8
83.04982	0.7
83.08627	0.7
85.02903	3.4
91.03968	1.5
91.05479	3.3
93.07056	4.7
95.04967	0.8
95.08625	2.0
97.02916	2.9
97.06548	0.7
97.10172	0.5
99.04483	0.6
101.02397	1.2
103.03912	0.4
105.07056	1.9
107.04981	0.4
107.08601	2.4
107.09174	0.3
109.02915	0.5
109.06533	0.4
109.10172	0.5
117.07021	0.5
119.08599	1.6
121.10131	0.7
127.03897	0.9
129.07040	0.5
131.08574	0.5
133.10147	1.0
135.11708	2.6
145.10187	1.0
147.11722	1.4
161.13260	0.5
171.11731	1.4
181.12294	0.6
185.04224	0.7
198.68622	0.4
207.13889	0.6
221.11497	0.6
230.62372	0.3
243.08386	1.7
247.12970	0.5
281.17468	0.5
303.15689	0.5
401.88284	0.3
439.19470	5.2
465.20993	7.8
501.28329	0.6
507.56741	0.4
632.30927	0.3
663.33521	100.0
664.33826	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	662.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16089	5.1
53.03950	11.1
55.01873	5.6
55.05517	23.8
57.03436	8.2
61.02955	4.9
65.03937	6.0
67.05511	37.0
69.03436	18.7
69.07075	40.6
69.31023	40.4
69.31430	10.9
71.04997	10.5
72.17969	5.4
79.05505	35.8
81.03426	53.7
81.07060	75.0
83.05005	38.5
83.08631	25.4
85.02174	4.7
85.02907	21.0
85.06554	5.1
86.09712	5.1
87.00829	7.3
91.05484	41.4
93.07062	58.0
95.04958	10.5
95.08611	47.4
97.02906	22.0
98.20702	8.8
99.04455	7.9
105.07037	44.4
107.08603	52.0
109.02879	12.6
109.06531	5.0
109.10178	55.2
111.08062	7.8
113.20179	5.5
117.07039	12.5
119.08587	37.5
121.10157	22.9
127.03948	19.7
127.07570	27.5
129.06964	5.4
131.08586	20.0
133.10158	27.3
135.08136	5.1
135.11713	29.4
135.41296	5.2
137.22363	5.2
143.08595	6.7
145.04933	7.2
145.10147	26.8
147.11700	19.7
149.13280	25.3
157.10162	12.2
159.11705	17.5
161.13277	16.7
163.11143	7.5
163.14935	5.3
166.54494	5.1
171.11693	8.2
173.13254	11.8
175.14857	6.0
177.16417	8.3
185.13254	6.3
187.14886	18.8
201.16254	6.1
205.15898	8.4
211.44626	5.9
213.16321	7.3
231.05022	100.0
249.06119	15.3
269.22794	14.7
287.23782	20.9
303.28839	5.3
305.24780	6.9
447.27725	5.6
465.28555	15.5
662.24792	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	662.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.3
53.34412	2.1
53.43372	1.9
54.24619	2.0
55.01871	6.4
55.05267	2.2
55.05516	37.1
55.57643	1.9
57.03440	28.6
57.07071	5.7
59.04987	3.9
61.02913	3.9
65.03935	2.4
67.05508	71.8
69.03432	32.2
69.07070	36.5
69.62676	7.3
69.63096	6.5
71.01357	4.5
71.05000	12.1
73.02909	3.0
78.65752	2.1
79.05058	4.6
79.05498	62.6
81.03420	73.4
81.07061	98.1
83.04980	60.9
83.08624	47.0
85.02905	41.3
85.06540	9.9
87.00819	10.6
91.03965	4.1
91.05482	52.9
93.07050	91.8
95.04968	28.2
95.08606	48.1
97.02901	19.9
97.06538	14.0
97.10172	14.9
98.20751	4.3
99.04452	10.0
99.08087	4.3
103.03965	3.7
103.05445	2.1
105.01874	8.4
105.07037	49.8
107.04946	7.7
107.08600	81.6
109.02870	8.4
109.06521	8.1
109.10159	74.3
111.04423	2.3
111.08083	15.1
113.09660	3.1
117.07009	11.0
119.07780	4.3
119.08584	54.2
121.06508	5.2
121.10148	39.0
123.08047	5.8
123.11691	13.5
125.09622	7.6
127.03912	27.7
127.07549	34.8
129.07004	13.2
129.09065	2.3
130.07872	2.6
131.08556	22.3
133.10138	43.9
135.08049	3.2
135.11694	73.2
137.09608	9.7
137.13281	2.5
142.07776	3.6
143.08589	7.7
145.04927	10.6
145.10124	34.1
147.08090	2.7
147.11679	24.9
149.09630	13.3
149.13263	22.0
156.09276	2.1
157.10139	17.7
159.02875	9.1
159.11719	23.4
161.13318	18.7
163.11226	9.1
163.14825	7.5
165.12733	6.8
171.11711	6.2
173.13289	10.0
175.11160	12.1
175.14847	7.6
177.12891	4.8
177.16388	5.9
179.14308	5.7
181.12265	6.1
183.06529	7.1
184.07410	2.4
185.13254	4.8
187.14824	23.4
189.16405	9.5
193.12277	25.5
193.15944	3.9
199.13228	4.1
199.14850	4.6
201.07607	3.5
201.16402	5.4
203.17928	3.4
205.15878	15.5
211.13300	35.9
213.16386	7.5
217.16054	3.0
219.17398	3.4
223.17001	3.5
227.17754	3.3
229.19456	5.7
231.04990	39.6
231.17336	3.9
249.06058	27.9
255.15924	84.7
267.15933	21.1
269.22635	15.0
285.16956	29.4
287.23712	23.1
290.46866	2.4
305.08643	15.8
305.24649	6.3
323.09790	12.5
341.10910	2.7
364.97894	2.1
416.23526	2.0
421.25696	4.1
445.99146	2.0
447.27396	39.6
465.28473	100.0
466.28543	2.9
469.18741	3.0
586.41760	2.1
630.22003	4.2
662.24884	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	661.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98790	1.1
54.05908	1.1
54.20256	1.0
55.01867	1.4
55.05519	6.2
57.07074	2.4
61.89843	1.3
67.05511	11.0
68.99796	2.6
69.07079	7.4
69.31899	11.8
71.04985	1.3
79.05500	5.5
81.07065	16.9
83.04980	1.6
83.08644	7.0
83.70647	1.2
85.06570	1.5
87.04438	1.5
91.05482	4.4
93.07045	9.1
95.04966	2.2
95.08611	12.9
97.06532	3.3
97.10175	3.7
105.07034	4.0
107.05006	1.3
107.08600	7.0
109.06496	1.4
109.10183	5.3
111.00823	3.3
111.04486	2.9
111.08111	2.4
117.07062	1.5
119.08580	4.0
121.06523	1.9
121.10176	4.5
123.04423	1.3
123.08122	3.0
123.11672	1.6
125.06022	3.1
125.09620	1.8
127.03938	5.5
131.08592	4.0
133.10165	3.4
135.07982	2.4
135.11703	3.0
139.03896	18.0
139.07544	1.3
141.05446	1.4
145.10121	3.3
147.08142	1.8
147.11673	2.4
149.13274	3.3
151.03912	4.3
151.07487	1.3
153.05461	7.3
163.07619	1.2
163.14828	2.6
167.10843	1.3
175.14734	1.5
181.08568	2.4
193.04994	3.0
195.10182	1.7
209.15431	4.0
217.16101	1.5
245.15501	1.2
249.18565	1.3
251.16422	18.0
251.69604	1.3
263.16586	5.8
279.15924	24.5
288.09207	1.2
291.16248	2.4
291.19434	10.7
295.19049	1.4
305.17429	3.6
309.20480	1.2
321.16885	2.3
333.17148	3.4
363.17856	5.1
375.18225	6.2
405.00961	1.2
415.93155	1.4
467.31442	1.6
485.33264	1.9
509.32980	2.2
527.33942	1.8
551.33746	10.3
569.34753	100.0
570.34827	4.6
587.35797	9.4
601.15240	3.2
643.38391	33.5
661.39185	4.2
661.49042	1.8
680.12543	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12169	0.3
55.01867	0.8
55.05503	1.0
55.25368	0.4
57.03430	1.6
60.54855	0.3
61.02922	2.6
63.99663	0.3
67.05506	3.3
68.37945	0.3
68.74595	0.4
69.03438	1.9
69.07041	0.6
71.01343	0.4
73.02933	2.2
79.05492	4.1
81.03422	4.4
81.07062	2.6
83.04992	1.0
85.02907	3.3
91.03963	2.1
91.05483	8.2
93.07050	2.6
95.04990	0.9
95.08635	1.2
97.02887	2.8
97.06563	0.7
98.21501	0.9
99.04482	0.7
101.02395	1.4
105.07024	3.5
107.04951	0.8
107.08607	1.1
109.02899	0.6
117.07043	0.7
118.20615	0.4
119.08598	2.3
121.10131	0.5
123.08058	0.7
127.03922	1.3
128.06221	0.5
129.07019	0.8
133.10133	3.4
140.48312	0.4
140.90250	0.4
143.08549	0.7
147.11728	1.4
149.09624	0.8
161.09590	0.9
171.11742	0.7
171.85393	0.3
219.10028	0.8
243.08395	2.5
247.13162	1.5
275.12759	0.6
326.38293	0.4
437.17834	8.6
465.20987	4.8
518.41779	0.4
582.78424	0.5
661.31946	100.0
662.32361	3.9
666.68884	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03710	0.6
53.03948	2.6
55.01874	1.3
55.05516	6.6
57.03445	5.3
61.02920	2.4
65.03951	0.7
67.05511	30.2
69.03439	1.9
69.07074	10.7
70.27020	0.6
70.89439	1.6
71.04987	2.1
73.02921	1.0
79.05060	1.2
79.05499	18.5
81.03431	2.2
81.07063	42.5
83.04985	2.7
83.08625	7.2
85.02902	2.6
85.06551	2.2
91.03956	0.8
91.04957	1.3
91.05489	15.1
93.07053	27.3
95.04964	3.2
95.08616	12.2
97.02881	1.2
97.06544	5.5
97.10156	1.4
99.04491	0.7
99.08111	1.4
105.07043	8.0
107.04967	1.4
107.08601	16.4
109.06510	2.1
109.10187	3.7
111.08062	3.0
117.07021	6.5
119.08602	3.7
120.08102	0.7
121.06496	1.7
121.10160	10.4
123.08058	0.9
123.11700	3.0
125.09644	3.3
127.03915	1.3
129.07030	1.5
131.08574	8.2
133.10132	8.1
135.08113	1.6
135.11745	5.6
141.06975	0.9
143.08563	1.8
145.10146	2.4
147.11722	2.3
148.07581	1.3
149.13278	12.6
151.11261	1.0
157.10201	2.0
159.11717	6.4
161.13344	0.7
173.13300	1.0
177.12778	2.3
178.74222	0.8
186.56941	0.7
195.13846	6.4
202.08665	1.0
213.14841	1.9
246.28838	0.7
251.16350	1.7
269.17490	24.3
290.65390	0.8
323.10071	0.8
353.24841	2.4
371.25800	2.1
389.26981	1.6
442.17667	0.9
445.29556	11.7
463.30582	100.0
464.31003	3.2
470.17279	1.1
481.31622	1.0
496.15564	0.7
584.24054	1.4
607.34637	2.5
610.22479	4.1
628.23584	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	660.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.7
55.01884	1.6
55.05518	5.5
57.03220	0.9
57.03445	8.3
57.07092	0.9
60.14431	1.0
61.02930	1.6
62.18171	0.8
64.03450	1.0
65.03954	1.6
67.05510	33.9
69.03431	3.5
69.07072	12.1
69.61159	6.4
71.04995	3.1
72.98188	1.0
73.02900	0.8
74.84270	0.8
79.05054	1.4
79.05497	18.8
80.05836	0.9
81.03420	3.4
81.07062	46.4
82.07376	0.9
83.04982	4.6
83.08627	8.4
85.02903	3.7
85.06523	2.5
91.05483	10.3
93.07048	35.7
94.07394	0.9
95.04974	3.6
95.08611	12.9
97.02881	3.0
97.06542	6.2
98.21464	2.0
99.04462	1.9
99.08080	2.6
103.03952	1.0
105.07013	4.2
107.08603	16.7
109.02872	1.2
109.06529	0.9
109.10168	2.4
111.08088	4.3
117.07049	5.1
119.08530	1.8
121.06525	1.4
121.10139	14.8
123.11701	1.1
126.73534	0.9
127.03967	1.5
129.07007	1.0
131.08565	6.1
133.10178	4.9
135.11703	6.0
139.11206	1.3
147.11687	1.2
149.13271	20.7
151.11174	1.3
159.11722	8.5
177.12785	3.9
195.13820	7.5
213.14909	0.9
269.14456	1.6
269.17490	54.9
463.30573	100.0
464.30823	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	659.364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.9
55.01881	5.4
55.05511	9.9
57.03442	21.8
57.07069	2.0
61.02931	77.8
65.03944	2.2
67.05168	2.9
67.05512	40.8
67.05868	2.3
69.03072	2.8
69.03434	34.2
69.07072	11.8
71.01365	4.0
71.05016	3.6
71.56931	2.8
73.02921	27.2
73.71551	1.6
79.05492	26.3
79.08509	1.5
79.64708	1.6
81.03426	24.9
81.07060	42.7
83.04988	5.8
83.08634	4.2
85.02910	100.0
87.04477	4.8
88.07669	2.4
91.03960	67.4
91.04530	3.9
91.05482	17.1
93.07050	33.1
95.04968	6.7
95.08052	2.7
95.08617	36.3
97.02902	85.9
97.06538	3.5
97.10175	3.8
99.04475	13.9
101.02373	9.3
103.03967	8.2
105.07037	17.2
107.08588	16.4
109.02890	13.2
109.06535	4.3
109.10170	17.2
111.04475	4.4
115.03939	7.5
117.05517	2.4
117.07027	5.9
119.08578	12.0
121.06531	1.8
121.10152	19.0
123.11714	5.1
127.03924	40.3
129.05476	5.3
129.07010	2.3
131.08554	11.3
133.10143	9.4
135.08041	2.1
135.11713	9.6
137.13303	1.9
143.08627	2.1
145.04967	29.4
145.10147	11.4
147.11711	9.3
149.02335	2.8
149.09607	2.3
149.13280	9.0
157.10201	4.0
159.06555	3.8
159.11708	6.1
161.13268	7.4
163.06041	9.5
163.14813	2.7
165.12718	2.6
169.10081	2.0
173.11963	1.9
173.13237	8.6
175.14717	2.2
177.12701	1.7
183.06544	6.0
187.14815	4.8
201.07675	4.7
211.14731	2.2
243.21135	5.9
259.20575	3.2
261.22165	19.6
275.19937	3.1
285.22205	1.8
317.24814	2.5
333.15549	2.1
335.25830	75.7
341.24854	1.9
363.25165	2.2
369.23993	2.0
381.96451	1.8
437.02551	1.9
443.27872	4.3
461.29166	2.6
469.81558	1.9
479.30164	8.7
497.30933	2.7
659.35999	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	658.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.3
55.05514	18.0
57.03441	15.9
57.07069	2.3
61.02919	4.7
65.03942	2.5
65.46245	2.1
67.05511	100.0
67.53510	2.2
69.03410	3.3
69.07074	13.7
69.30490	2.4
69.30811	19.8
71.04969	2.8
74.09682	1.9
79.05501	43.2
81.03407	2.7
81.06577	3.0
81.07063	56.1
83.08616	6.5
85.02901	5.3
85.06536	4.0
91.05479	20.8
93.07055	41.0
95.04926	2.5
95.08617	36.2
97.02864	3.4
97.06473	2.6
97.10176	3.2
99.08106	2.7
105.07014	12.8
107.08607	17.6
108.48926	2.4
109.06506	4.8
109.10168	67.9
111.08065	2.7
117.07038	4.8
119.08595	15.8
121.10168	19.7
123.11718	6.8
125.09624	2.7
129.07051	2.4
131.08568	8.9
133.10152	10.5
135.11717	15.9
137.09613	5.5
145.10129	8.0
147.11693	6.8
149.13280	6.8
157.10110	2.9
159.11710	7.3
161.13203	2.3
173.11746	14.7
173.13300	6.4
184.07359	2.3
186.04497	2.1
187.14844	2.2
215.18059	11.9
217.36517	2.3
227.12717	3.8
227.32483	2.0
229.14366	58.0
229.16563	4.7
233.19084	15.0
261.22284	3.6
307.22714	53.6
307.26270	2.6
308.22858	2.3
312.02994	2.0
335.25827	76.2
351.27255	2.7
369.27869	6.9
377.27167	2.3
443.31570	3.0
461.32703	41.2
492.37561	2.9
548.39935	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	4.9
57.03439	5.2
57.07082	37.8
61.02934	13.7
62.83783	1.5
67.05508	11.8
69.03442	2.2
69.07059	10.1
70.06599	7.2
71.08637	28.6
71.56876	1.5
73.02926	5.5
75.96400	1.1
78.83286	1.2
81.03424	2.3
81.07065	13.8
83.08612	8.7
85.02910	16.3
85.10190	18.6
86.09720	1.4
88.07635	5.9
89.06020	2.1
89.31255	1.1
90.09068	1.2
91.03960	13.5
93.07034	1.7
95.04881	1.4
95.08608	20.4
97.02901	8.0
97.10160	3.9
102.09186	6.2
102.95963	1.3
109.10197	9.9
111.11716	3.6
117.07071	1.5
123.11685	3.7
125.13252	1.6
127.03906	4.4
133.98157	1.2
137.13246	2.4
145.04947	6.2
149.02368	13.5
163.06038	9.9
193.04976	16.1
200.05661	1.2
219.06715	1.6
225.22118	20.5
237.07571	3.8
243.23151	4.2
256.26373	16.0
274.01947	1.5
299.25824	100.0
317.26880	30.9
319.63373	1.2
341.06644	3.2
359.07700	2.9
385.09174	8.2
429.11777	11.0
536.57794	1.4
657.04932	1.7
658.36017	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	658.401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.6
57.03432	4.0
57.07081	33.3
61.02928	10.9
61.09066	1.0
67.05504	9.7
69.03441	1.6
69.07082	9.4
69.47678	6.0
70.06606	6.5
71.08638	30.1
73.02921	5.6
75.04478	2.4
79.05486	1.2
81.07060	14.3
83.08612	8.2
85.02429	1.2
85.02917	15.1
85.10189	16.5
88.07649	7.5
89.06033	1.6
91.03964	8.7
93.07067	1.6
95.08043	1.7
95.08614	23.3
97.02902	9.4
97.10160	3.9
102.09188	6.5
103.07575	1.1
109.10162	9.0
111.11742	2.4
123.11745	5.0
125.13345	0.7
127.03959	3.5
137.13278	2.3
145.04979	6.9
149.02350	14.1
149.03464	1.3
151.14818	1.2
163.06055	8.8
170.50929	0.8
193.04980	15.7
207.21065	1.6
217.29204	0.8
225.22150	21.8
225.24245	1.3
237.07634	3.9
243.23145	4.5
256.26370	19.3
299.25827	100.0
300.26126	1.6
317.26871	27.3
341.06622	2.5
359.07852	1.7
385.09247	7.3
413.51175	0.9
429.11859	8.7
461.30969	2.5
590.64313	0.9
617.75720	0.8
658.35895	38.9
659.36371	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.38
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37112	0.8
51.02377	0.9
53.03946	3.3
55.01862	1.8
55.05515	8.0
57.03446	6.0
59.40386	0.7
61.02905	0.8
62.14358	0.6
65.03941	0.9
67.05511	31.4
67.75622	0.7
69.07073	8.5
69.22179	2.9
69.22602	4.5
71.01358	2.0
71.05005	1.4
79.05500	39.8
79.46809	0.7
81.03431	4.8
81.07066	20.1
83.04988	6.9
83.08629	3.7
85.02914	0.8
85.06548	1.9
86.26004	0.7
91.05489	24.9
93.07053	44.5
95.04977	8.3
95.08617	10.7
97.06539	5.2
97.10177	5.0
99.08099	1.0
105.04524	0.9
105.07039	14.5
107.04980	2.5
107.08602	16.4
107.09303	1.4
109.06527	3.0
109.10162	3.3
111.08121	0.9
117.07058	4.2
119.08598	11.9
121.06524	1.3
121.10146	3.8
123.08095	1.7
125.09696	0.8
128.06264	0.8
129.07016	5.9
131.08617	1.1
133.10147	5.3
135.11703	17.0
143.08594	3.8
145.10143	6.9
147.08076	0.7
147.10628	1.4
147.11699	14.0
161.09689	1.6
161.13283	3.9
163.11174	2.1
171.11699	10.2
173.44154	0.7
181.12238	2.9
188.46066	0.7
189.12784	3.9
207.13849	12.2
225.14914	2.0
255.15936	25.5
281.17502	25.2
281.20718	1.0
313.96622	0.6
461.29022	100.0
462.29581	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	656.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.5
55.01869	3.0
55.05516	10.8
57.03434	7.4
65.03944	1.9
67.05511	38.4
69.07066	5.2
70.82212	3.7
71.04953	1.9
79.05058	3.4
79.05501	48.0
81.03419	14.1
81.07058	26.8
83.04982	16.8
83.08628	5.2
85.06535	3.0
91.05489	90.6
93.07050	42.2
95.04979	12.7
95.08609	8.8
97.02887	2.9
97.06525	5.2
104.72474	1.8
105.07045	39.2
107.04984	9.0
107.08605	10.2
109.06499	5.5
109.10173	2.2
117.07011	10.3
119.08586	24.7
121.10155	3.5
123.08057	3.3
128.06190	1.9
129.07030	9.7
131.08572	4.6
131.84903	1.8
133.06465	1.6
133.10146	32.8
135.08052	6.4
137.09605	2.1
141.09143	1.9
143.08551	11.9
145.10136	6.1
147.08005	2.3
147.11705	21.1
149.09627	5.8
151.11191	3.9
161.09650	14.4
161.13286	7.0
171.11647	12.0
173.35109	1.8
179.10719	10.5
189.12759	8.1
207.13792	17.2
225.15060	1.9
235.13281	2.4
253.14380	55.8
281.14337	2.2
281.17496	48.8
309.16861	5.0
441.26398	6.3
459.27408	100.0
460.27725	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	656.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.2
55.01865	3.4
55.05516	22.2
57.03431	2.0
67.05511	24.1
68.05838	1.2
69.03451	2.6
69.07069	6.4
70.62997	4.0
73.02880	1.2
79.05494	20.4
81.03439	1.8
81.07063	16.6
83.04975	2.8
83.08622	14.7
85.02933	2.8
91.05494	18.2
93.07050	11.7
95.04971	3.3
95.08617	6.0
97.02866	2.4
97.10175	22.8
103.05480	11.7
105.07048	14.8
107.04966	2.9
107.08604	13.1
109.06492	1.4
109.10183	5.0
111.08086	2.6
112.96382	1.2
114.87927	1.1
115.05476	5.4
115.69437	1.2
117.07023	34.3
119.08588	7.9
121.06485	1.5
121.10155	3.7
123.08057	1.8
125.09640	23.3
128.06250	3.3
129.07005	15.1
131.04968	1.4
131.08569	20.1
133.06487	5.1
133.10075	3.2
135.08075	5.1
141.07010	5.8
143.04990	1.3
143.08575	8.0
145.06546	6.5
145.10161	6.6
149.09618	2.5
153.09148	3.3
155.08554	8.6
157.06543	3.9
157.10141	3.1
159.08087	3.3
159.11633	2.4
163.11243	1.4
167.08699	1.9
169.10143	5.2
171.08090	2.6
171.10249	1.7
171.11661	3.1
173.13428	1.2
179.08536	1.3
181.10135	2.5
185.09760	1.9
187.14838	8.2
189.11229	11.9
195.11783	1.6
197.13271	9.0
199.11319	2.5
207.11790	1.3
209.13371	1.5
213.12781	1.9
215.14333	35.5
225.12881	1.8
227.12758	18.1
233.15419	1.3
241.12231	1.5
245.13795	2.1
271.17014	2.9
304.14261	1.4
331.20929	1.2
339.23276	2.0
349.21735	6.1
367.22647	11.7
385.23743	7.1
403.24786	4.6
441.26401	57.4
459.27466	100.0
460.27774	2.9
477.28583	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	655.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	4.2
57.03434	2.9
57.07080	33.4
61.02938	7.1
67.05511	10.5
69.07072	7.6
71.08636	27.4
73.02916	3.5
75.04481	2.0
79.05484	1.0
81.07059	14.8
83.08627	11.4
85.02908	8.9
85.10187	15.9
89.05995	0.9
91.03967	7.5
93.06991	1.0
95.08047	1.5
95.08616	21.2
97.02909	4.3
97.10188	5.0
99.11733	1.1
103.07615	0.9
109.10162	10.7
111.11762	1.0
123.11737	4.2
127.03931	3.5
133.20699	0.9
137.13220	1.7
139.12881	0.8
145.04942	4.0
151.14838	1.1
156.78482	0.9
163.06056	4.2
221.22639	1.1
239.23723	26.7
257.24692	4.4
295.19135	1.0
313.27390	100.0
314.27649	2.5
331.28433	13.3
426.47754	0.8
428.75891	0.8
475.32629	2.3
489.35510	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.05515	4.3
57.03434	3.9
57.07077	38.7
59.49955	0.6
61.02930	10.9
67.05507	11.4
69.03420	1.1
69.07076	6.7
69.80685	3.5
71.04992	0.8
71.08633	33.9
73.02914	4.7
75.04482	2.3
81.03416	0.8
81.07056	17.1
83.04971	1.0
83.08620	10.9
85.02910	13.3
85.10183	18.1
89.06006	0.8
91.03956	13.3
91.05463	1.1
92.21139	0.6
93.07053	1.0
95.08609	23.5
97.02885	6.2
97.10181	6.1
99.04393	0.7
99.11741	0.8
107.08609	0.8
109.10156	10.1
111.11724	1.2
115.03926	0.9
117.09173	0.7
122.15479	0.7
123.11702	4.8
125.13291	1.2
127.03919	4.7
137.13248	2.5
145.04973	6.3
151.14790	1.4
163.06032	8.2
165.16486	1.0
194.28647	0.6
196.53253	0.5
221.22621	1.6
239.23701	31.4
257.24789	5.3
293.60638	0.6
310.20282	0.8
311.79419	0.6
313.27371	100.0
314.09869	0.6
314.27731	1.9
331.28424	16.0
428.88333	0.7
538.68835	0.8
655.27771	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	655.3688
Annotation	Cilistol p
Peak:m/z	Relative Intensity
53.03946	2.4
55.01878	1.1
55.05504	3.1
57.03424	1.0
57.07063	0.9
61.02927	1.1
65.03945	0.6
67.05512	6.0
68.44205	0.4
69.03429	5.3
69.07072	3.2
70.87788	0.5
70.88158	0.9
71.04995	1.0
72.83859	0.4
73.02914	1.1
79.05492	2.6
81.03407	2.7
81.07056	5.8
83.01350	5.8
83.08630	2.0
84.11669	0.5
85.02913	7.6
87.04450	0.7
91.03996	0.5
91.05451	2.2
93.07043	2.8
95.04986	0.7
95.08626	4.9
97.02889	4.5
97.06513	0.4
97.10156	1.2
99.04469	0.8
105.07042	1.5
105.35944	0.3
107.04987	1.0
107.08605	2.2
109.02917	1.2
109.06517	1.2
109.10180	2.8
109.10788	0.5
111.08097	0.4
113.05996	0.4
115.03880	0.5
117.07015	0.4
119.08588	1.8
121.10154	1.7
123.08054	0.4
123.11703	1.9
127.03919	1.8
128.90323	0.4
129.01852	2.0
133.06441	0.4
133.10150	2.0
135.04428	5.8
135.11736	1.1
137.06020	0.9
137.09604	0.5
137.13222	0.5
145.04956	0.5
145.10127	0.6
147.11713	1.2
149.09610	0.5
149.13275	0.5
151.07533	0.5
153.05453	3.5
159.11752	0.5
160.66109	0.4
163.03923	1.2
167.07059	0.5
175.14885	0.5
181.04964	12.4
183.06593	0.7
185.13211	0.4
189.12724	0.4
195.06534	13.6
199.06027	31.5
207.06534	1.2
209.08096	6.8
221.08078	1.1
223.09642	8.1
235.09689	1.3
237.11197	4.5
249.11314	2.8
251.12785	3.8
263.12848	1.7
265.14545	2.2
277.14465	0.6
279.15762	1.1
291.15982	0.9
293.17566	1.4
305.17462	0.9
307.19116	1.8
319.18982	1.7
321.20801	0.6
331.19073	0.7
333.20563	0.7
343.25513	0.5
361.23752	0.7
408.31210	0.7
429.30109	2.0
431.31662	8.8
439.28452	1.5
445.29614	2.0
447.31125	7.3
457.29504	7.1
475.30560	7.8
493.31622	100.0
494.32025	3.1
637.36157	3.2
655.36969	12.2
656.36499	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16061	1.4
54.32909	1.7
54.52341	1.7
55.01865	4.4
57.86920	1.6
67.05502	3.3
70.85864	3.2
70.86196	3.0
91.05474	5.6
93.03390	1.7
93.05775	2.8
93.07039	6.0
94.06554	2.4
96.04451	2.2
97.86532	1.8
98.06027	1.9
104.47286	1.7
108.08117	7.8
108.47220	1.8
110.06038	7.9
119.04943	6.7
121.06539	2.8
122.06017	15.2
122.09681	2.5
123.06795	3.3
124.07596	6.1
136.03900	1.7
136.07587	28.2
138.09145	22.1
140.07034	6.1
146.05939	3.7
147.04422	3.6
150.05533	3.4
153.10362	2.4
154.08670	4.9
160.07513	1.7
162.05461	2.1
163.08704	2.2
164.07072	72.3
164.10716	2.5
169.07475	1.9
172.07602	2.8
174.09177	11.0
175.08653	3.2
177.06642	4.4
181.09778	17.2
182.08115	11.5
186.05450	2.2
188.07082	3.1
189.10182	3.6
191.08163	8.2
192.06546	3.1
192.10155	1.9
199.08841	2.1
199.10716	4.6
200.07082	5.7
201.06570	7.0
202.08800	9.0
203.08148	38.4
204.06621	24.7
204.08511	3.6
205.09756	3.6
206.08127	1.9
209.09209	3.4
213.10298	4.7
215.08173	5.2
215.11858	2.2
217.09735	21.9
218.08090	2.3
220.09859	2.3
227.08151	4.8
228.06499	2.6
229.06075	25.4
229.13342	3.3
230.08112	5.9
231.07767	4.5
231.11221	3.6
235.10797	5.9
241.09709	4.9
243.07632	12.1
243.11319	2.9
245.06859	3.6
245.09236	49.3
245.12904	4.7
246.07550	10.1
247.10820	3.0
248.09238	3.7
257.09235	4.4
257.12863	4.7
259.10812	11.4
261.08725	16.8
261.12271	3.5
263.10284	53.4
269.09296	4.2
271.07184	14.6
272.09042	2.2
273.12344	3.0
274.13281	2.4
275.13913	16.7
276.12393	2.6
277.11749	3.6
285.08673	4.7
285.12183	2.0
287.10294	29.9
289.08160	8.3
289.11755	4.4
299.13989	2.7
301.11841	27.1
301.17236	1.9
305.11334	100.0
307.12885	11.3
313.08145	3.7
315.09543	2.8
317.14691	2.6
319.12943	4.3
322.15277	3.3
329.11310	3.3
331.09192	3.4
333.10794	4.3
336.17038	2.5
337.14822	2.1
339.16885	3.7
348.17023	2.6
352.16431	4.7
360.16946	2.1
364.16397	2.0
366.18011	7.6
378.17996	5.2
380.15765	2.7
384.19293	2.3
398.16891	5.8
398.21130	3.2
406.17606	6.5
408.19186	5.1
420.19092	7.8
422.16870	3.4
424.18539	5.2
426.20328	48.2
434.16608	2.2
438.20114	8.6
444.21362	66.5
450.16501	4.6
452.18243	30.6
456.21198	2.2
468.17496	17.6
470.19244	23.6
482.18869	3.2
486.18707	8.0
488.20447	10.6
496.95776	2.1
542.59229	2.3
543.25842	3.4
561.27258	2.9
571.25568	4.2
589.26599	51.0
601.26678	2.2
607.27667	73.4
608.27386	2.8
619.28168	11.4
625.28601	13.3
637.28625	10.4
655.28711	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	653.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	3.5
53.03939	13.1
55.01869	9.0
55.05518	29.2
57.03450	15.2
65.03936	6.0
67.05508	70.0
69.03426	22.5
69.07076	14.4
70.06588	5.3
71.04987	9.0
79.05062	5.2
79.05498	86.5
81.03420	100.0
81.07058	58.2
83.04981	39.9
83.08617	22.9
85.02906	25.8
85.06530	4.1
86.09705	9.6
91.05486	90.7
93.07053	77.0
95.04976	39.6
95.08123	3.7
95.08616	36.9
97.02888	15.6
97.06548	7.9
97.10158	7.3
99.04441	3.9
105.04541	3.4
105.07043	65.5
107.04983	16.8
107.08592	25.7
109.02894	8.1
109.06525	8.5
109.10151	7.3
111.04448	7.7
111.08057	8.9
115.05447	5.3
116.07116	3.6
117.07014	18.6
119.08588	42.4
121.06523	4.9
121.10151	13.0
123.08070	8.3
124.83429	3.2
127.03896	8.6
128.06230	6.0
129.05534	5.3
129.06999	29.4
131.04892	3.6
131.08591	19.7
133.06500	5.8
133.10121	20.0
135.11737	4.0
143.08534	14.8
145.06480	6.6
145.10092	10.8
147.07982	6.0
147.11702	43.7
149.09662	6.6
155.08533	5.2
157.10121	14.8
159.08014	5.0
161.13251	9.1
161.22235	2.8
163.11139	6.3
167.08682	3.1
171.07977	3.9
171.11690	26.3
173.04462	4.0
175.11214	13.4
177.12741	4.4
181.10101	4.4
189.12769	11.2
193.12228	37.3
207.13821	30.5
211.13298	44.4
225.14798	4.5
267.15915	24.4
269.15329	4.9
281.17517	69.0
285.16989	18.3
287.16428	9.2
425.21628	6.5
429.21030	9.9
473.29117	50.3
491.30112	27.5
635.34094	27.9
653.33710	3.8
678.19617	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11802	2.1
55.01880	1.9
64.47064	1.7
67.05506	5.0
69.22785	13.4
69.23208	6.1
91.05460	4.0
93.07097	3.9
94.06586	5.7
98.06000	2.2
98.20792	4.3
108.08128	8.5
110.06047	15.6
110.09695	7.9
111.01237	1.9
120.08097	3.6
121.06509	2.4
122.06022	16.6
122.09679	6.8
123.06825	7.4
123.08109	4.0
123.67167	2.0
124.07565	14.3
136.07590	15.8
138.09148	79.7
140.07071	5.0
140.10744	3.3
148.07588	2.4
150.05507	11.6
151.06284	17.8
152.07086	12.1
154.08672	4.0
160.07585	3.7
162.05511	4.2
162.09135	3.9
164.07083	36.0
165.07535	4.5
166.08678	17.4
172.07565	3.0
174.09177	5.1
175.08675	3.1
177.06636	6.7
180.06567	2.7
181.09772	9.1
183.11320	5.2
188.07065	3.5
189.10297	4.8
190.08652	6.8
191.08205	8.7
192.06610	2.5
200.06995	2.9
200.10808	2.0
201.06599	3.1
202.08719	9.5
203.08199	22.0
204.06570	8.5
204.10399	2.2
208.09770	2.3
213.10207	2.4
214.08717	2.6
215.08202	8.1
215.15556	2.5
217.09697	17.2
218.08130	9.6
219.08676	2.4
227.08099	2.6
227.11810	3.5
228.06561	3.3
228.10316	2.2
229.06047	6.9
229.09686	10.1
230.08136	5.4
231.11253	2.7
233.09186	3.3
235.10828	9.4
241.09677	4.8
241.13332	12.3
242.14206	8.5
243.07555	3.6
243.14980	22.8
244.13344	6.4
245.09222	16.5
246.07579	2.8
247.10744	2.4
248.09235	2.8
250.10800	3.5
255.11319	2.3
257.09204	11.2
257.13052	3.2
259.10739	6.8
260.09323	3.0
261.08679	10.5
263.10193	21.0
269.12964	2.5
271.07056	4.8
271.11188	2.4
271.14456	7.3
275.10297	14.1
275.13736	4.1
276.10953	2.5
277.11926	6.0
285.08716	6.4
285.12354	6.2
286.09586	2.3
287.10236	16.7
289.08322	4.7
289.15500	8.2
293.11356	15.6
295.12918	7.3
301.08237	3.6
301.11890	8.6
303.09845	6.1
304.10547	2.8
305.11270	25.7
306.11560	2.3
307.12952	4.8
313.08228	3.6
317.11166	2.2
331.09363	4.5
335.12640	5.7
336.17053	2.5
337.14218	8.2
362.98209	4.2
364.16357	2.6
376.95886	4.0
378.18265	3.0
379.16672	3.3
380.99286	6.7
394.17740	3.9
396.19427	2.7
398.16989	3.9
406.17685	2.9
407.16730	2.6
408.19547	4.0
420.19659	2.7
424.18851	2.7
425.17172	3.1
426.15811	2.8
438.20114	2.8
440.18140	5.8
441.19226	4.1
442.19846	13.9
450.16632	5.4
452.18088	5.2
453.16492	11.3
460.20804	10.1
468.17575	13.9
470.19159	12.4
482.18842	2.6
484.17181	4.4
486.18652	3.7
498.18381	7.3
507.02362	6.6
563.25116	8.0
577.26923	14.9
578.25488	2.6
581.26245	18.0
587.25146	4.4
589.26489	2.7
605.26050	34.7
617.25757	8.4
623.27112	100.0
624.27014	5.3
635.26996	23.7
653.28088	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01965	1.0
52.05249	1.1
53.03943	3.0
55.01868	1.9
55.05507	7.2
56.05027	4.1
57.70625	1.0
60.04525	2.3
67.05505	16.2
68.05022	1.2
69.03446	6.2
69.07056	5.0
69.53076	8.8
70.06605	8.3
70.58616	1.3
71.04990	5.7
72.08159	7.1
79.05490	16.1
80.05010	3.6
81.03415	3.1
81.05785	1.5
81.07059	21.3
82.06573	2.7
83.04977	1.5
83.08622	4.9
84.04491	4.4
85.02911	3.9
85.06542	4.1
86.09718	21.3
87.04459	2.9
91.05470	8.1
93.07050	26.1
94.06579	18.8
95.04961	5.0
95.08614	33.1
96.08124	3.1
97.02871	1.3
97.06533	9.4
97.10162	2.2
101.07133	2.4
105.07046	12.8
106.06583	1.3
107.07384	6.4
107.08575	4.1
108.08135	2.1
109.02863	1.6
109.10171	5.9
110.09692	10.6
111.08089	15.6
116.07096	7.2
119.04894	1.2
119.08566	3.2
120.08104	1.8
121.10142	3.6
122.06058	1.3
122.09680	59.4
123.08081	34.0
123.10001	7.6
123.11720	3.2
124.11246	2.2
127.03918	1.3
128.09787	1.8
128.10722	27.6
133.10161	2.1
135.11658	4.8
136.07576	6.6
137.13257	1.7
140.10710	100.0
141.09109	17.2
142.12151	1.3
145.44437	1.2
147.08044	1.2
149.13242	2.1
150.05463	1.5
151.07549	1.5
151.14809	1.5
158.11795	8.9
162.73096	1.1
164.07204	1.6
165.09128	3.2
178.04912	1.8
199.04930	1.3
204.08447	1.8
204.10216	2.7
215.08081	2.0
217.09724	2.7
218.10025	1.3
235.10852	9.7
236.11043	4.3
245.09265	2.2
251.10268	3.2
251.23607	1.7
259.06949	1.7
263.10172	2.4
277.08231	28.5
287.10168	1.6
296.25757	4.4
305.11371	3.7
306.11609	2.5
307.12830	1.4
314.26761	3.3
322.27426	1.8
340.28757	1.5
344.44159	1.3
378.18097	3.3
388.31995	2.2
406.17548	4.1
406.33298	6.2
414.16541	15.2
418.33231	8.9
424.34189	3.1
428.21780	2.7
429.22055	2.8
431.16714	1.9
436.18848	2.7
436.34265	62.5
437.34451	2.7
439.20477	3.5
454.35278	60.2
455.35321	1.6
457.21622	3.4
472.36252	8.1
498.18640	3.7
624.26831	2.0
634.25250	2.5
635.26904	8.4
652.28406	3.4
653.28217	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	4.3
53.03956	24.2
55.01871	15.3
55.05516	31.5
57.03432	16.0
65.03923	7.8
67.05177	5.3
67.05505	71.3
69.03439	31.5
69.07053	18.2
69.33646	17.6
69.34071	25.0
71.04987	13.0
71.87162	4.0
79.05061	8.0
79.05499	100.0
81.03423	95.5
81.07059	73.7
83.01346	6.2
83.04990	45.9
83.08625	21.7
85.02919	22.4
85.06532	5.9
86.09680	5.4
91.05489	86.3
93.07051	91.9
93.65244	4.5
93.67290	4.2
95.04974	37.0
95.08604	41.3
97.02890	18.8
97.06516	12.5
97.10214	10.0
99.04452	12.1
105.07040	52.5
107.04973	29.0
107.08602	34.9
109.02868	19.2
109.06504	18.5
109.10152	12.0
111.04443	18.5
111.08060	7.6
115.05462	8.3
116.46379	4.2
117.07006	33.6
119.08559	39.6
121.06546	10.3
121.10149	15.7
123.08060	13.0
127.03937	25.8
128.06253	8.3
129.07004	25.1
131.08565	13.8
133.06493	5.8
133.10143	13.0
135.11705	12.8
135.93048	5.1
141.38364	4.8
143.08585	13.9
145.10106	30.8
147.07997	5.9
147.11687	29.1
148.07983	4.8
153.12737	10.2
155.08624	10.6
159.11815	5.1
161.09560	6.0
161.13251	14.0
163.11166	34.9
171.11673	26.7
173.09622	9.3
174.69128	4.0
181.12279	10.9
189.12764	13.1
191.10692	13.4
207.13812	31.7
209.11784	10.9
223.14833	5.2
227.12727	24.0
251.14413	5.9
257.60742	4.2
259.17041	7.3
281.17453	58.1
283.15509	38.2
287.16370	9.5
353.16028	11.5
425.21924	5.1
427.19724	21.6
462.55923	4.6
471.27722	7.9
489.28387	38.9
569.30725	8.2
590.30353	4.3
633.32654	43.3
651.33539	27.1
681.90558	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	651.3351
Annotation	Strychnogucine C
Peak:m/z	Relative Intensity
67.05495	1.6
69.07043	0.8
70.10991	2.7
71.04993	1.0
79.05491	1.1
81.03437	0.9
81.07066	1.7
83.01104	0.6
86.09705	1.5
91.05464	1.1
93.07052	0.9
95.01101	0.8
95.08623	1.0
97.77734	0.6
105.07034	1.4
106.84856	0.6
107.08631	1.0
109.10152	0.7
131.08563	0.6
133.03482	1.7
141.05183	1.0
151.04495	0.7
157.51404	0.7
163.03944	0.6
185.04335	1.5
199.05827	2.4
227.05310	1.9
243.04904	1.3
271.04285	1.1
275.07376	1.1
277.09003	3.2
291.19604	0.7
300.53409	0.6
301.09061	1.9
317.08569	1.1
319.06323	0.9
319.09787	3.7
363.09006	8.2
385.25986	0.9
403.28159	3.9
431.27802	1.3
467.22656	1.2
485.32895	0.9
517.48639	0.8
547.32605	1.7
565.33289	9.4
589.33685	4.1
607.34521	33.2
608.34686	1.9
633.32458	7.3
651.33508	100.0
652.34021	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	651.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.0
61.33574	0.7
67.05500	1.9
69.07053	1.5
69.97150	2.6
70.06599	1.6
72.08130	1.6
78.03844	0.8
79.05505	1.3
81.03412	1.6
81.07055	2.3
83.05015	1.1
83.08614	0.8
84.04491	1.4
85.02881	1.2
86.09708	3.7
91.05489	2.4
93.07053	3.0
95.08615	2.8
97.10147	1.0
105.07041	2.7
107.08608	1.4
109.06532	0.9
109.10160	1.9
116.07100	1.6
119.08616	1.9
121.06519	1.3
121.10143	2.2
122.06060	1.1
122.09706	1.4
123.11720	1.7
124.07574	1.6
127.03908	1.1
131.08609	1.6
133.10172	1.2
135.08130	0.8
136.07625	2.0
136.11209	1.1
137.09619	1.2
138.09163	6.0
145.10254	1.0
147.06865	1.0
147.08028	1.2
147.11674	1.4
148.07660	0.8
164.10765	7.1
165.09094	1.2
165.12625	0.9
176.10736	1.9
177.09196	1.2
187.08701	0.9
191.14398	1.1
192.10266	4.4
193.12346	1.0
194.12012	0.8
195.10205	2.2
201.06554	4.7
202.07448	1.9
204.10243	3.5
210.11299	4.6
211.08658	0.7
213.10297	2.0
215.08183	10.8
216.08934	8.8
217.09694	1.3
222.11243	2.1
224.47121	0.9
225.10176	1.0
227.08226	2.5
231.11357	3.7
233.09126	1.1
235.10715	1.0
240.12323	0.9
241.09731	1.7
242.10536	1.4
242.96852	0.8
245.09283	1.9
249.12405	1.9
255.11142	1.1
257.09229	3.7
260.07959	10.9
261.08749	10.3
263.10345	0.9
271.10791	1.1
274.09598	1.6
275.10281	100.0
276.10645	2.5
284.07886	3.3
285.08817	2.3
285.12399	5.8
286.09500	7.6
287.10239	2.7
299.10251	10.9
300.11099	2.6
301.11847	26.6
310.11942	0.8
313.08359	2.1
315.13467	6.0
319.16599	1.0
321.14432	0.9
327.09747	9.6
329.11475	0.9
330.16162	0.8
331.09119	1.7
332.22946	1.1
334.18994	1.1
336.13525	1.2
343.16949	1.0
345.10815	14.3
347.12634	6.3
347.16504	1.6
348.13513	1.0
350.15048	1.9
350.24460	1.2
361.14154	1.7
362.18805	0.9
368.24698	1.0
376.12869	1.4
378.18295	6.1
380.19904	1.6
390.18237	4.4
398.17151	2.2
402.18195	5.4
406.17676	23.4
407.18118	1.4
408.19272	3.5
412.18713	42.6
413.18854	1.2
426.20480	1.0
434.17007	1.5
436.18680	2.6
440.21344	1.9
452.18228	21.8
453.33957	1.2
458.22971	4.8
464.18301	1.3
466.19809	11.7
470.23758	1.0
482.19327	20.2
483.19955	1.2
484.20792	15.3
496.20898	3.2
514.21851	5.3
539.26215	3.1
573.27051	1.1
589.26581	15.2
590.26508	1.0
601.26282	1.8
603.28143	5.4
605.29785	1.7
615.28009	3.0
619.27509	9.4
621.29126	19.6
633.29498	6.5
633.38666	1.5
651.30457	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	651.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72250	0.7
56.63481	0.8
67.05496	0.9
69.43255	6.3
69.69740	0.8
70.06585	2.2
79.05527	0.8
81.37033	0.7
85.02924	0.7
85.47855	0.7
89.20464	0.7
91.05461	1.0
93.07024	1.8
94.06566	1.9
95.08562	0.9
98.21560	1.4
107.04990	0.8
108.08128	3.1
119.04903	1.0
122.06040	3.4
122.09666	1.1
124.07595	1.9
127.03994	0.8
136.03951	0.9
136.07562	6.0
138.09200	1.1
147.04443	1.2
150.05519	2.3
152.07089	1.0
156.00798	0.8
156.02231	0.8
164.07079	13.2
172.07639	1.1
178.05005	1.9
181.09831	1.1
182.08266	1.0
186.11604	0.9
191.08224	1.8
199.12314	5.0
200.13182	4.0
202.08768	2.4
203.08188	3.5
204.06563	1.7
211.14337	1.2
217.09793	2.2
218.10503	1.0
219.11414	1.1
220.09859	0.8
226.11020	1.2
228.06715	1.0
229.06152	2.2
229.13123	1.0
235.10780	4.9
241.13385	11.8
243.11406	1.5
245.09123	4.2
245.12936	1.5
247.10880	0.9
257.13089	1.3
258.11282	1.1
258.13739	3.1
259.14444	100.0
260.14893	1.3
261.08691	2.6
263.10284	4.8
271.07227	1.4
275.13879	3.6
285.12299	3.1
287.10333	3.0
289.11813	1.4
291.13486	0.8
301.08801	0.8
301.11780	4.4
305.11377	10.1
307.13016	2.2
322.15366	1.0
352.20245	1.5
364.16644	1.6
365.17474	2.6
366.18192	2.5
378.18185	0.9
380.19797	11.1
382.21268	75.2
383.21732	1.6
406.17725	2.4
408.19302	2.5
420.19116	0.9
424.18845	1.5
425.19235	2.5
426.20282	36.8
427.20245	1.1
438.20169	1.4
450.16928	1.3
452.18173	2.8
453.16599	1.9
456.21332	53.8
457.21683	1.4
468.17819	1.0
470.19193	9.6
478.15784	1.2
482.19147	3.1
488.20416	4.5
496.17252	6.0
514.18378	1.2
603.24524	0.9
615.24487	1.1
621.25653	9.0
633.25732	8.5
651.26587	50.5
652.27094	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77071	0.8
60.19734	1.1
60.83121	1.3
66.48190	1.0
67.05511	1.8
70.54101	2.9
76.41894	0.9
79.07312	0.9
81.07055	0.9
90.48125	0.9
91.05479	3.1
93.05814	1.6
93.07054	2.8
94.06591	2.0
95.59584	1.1
96.04493	1.5
108.08141	5.4
117.07053	1.1
119.05001	3.1
122.06062	5.4
136.07590	13.2
145.23917	1.0
147.04512	1.4
149.07149	1.8
150.05554	2.3
152.07132	1.3
160.07660	2.1
162.05577	3.0
162.08020	1.1
162.09108	4.9
163.08630	1.1
164.07095	25.8
164.08400	1.9
173.08438	1.5
174.09290	2.7
177.06685	2.7
181.09727	7.3
185.10881	1.4
188.07175	2.4
190.08688	5.0
191.08238	1.7
199.12378	4.6
200.13176	4.1
202.08733	2.6
204.06615	1.2
217.09718	1.3
218.08182	8.7
218.10065	1.5
219.11412	1.5
220.09756	1.6
228.06689	1.6
229.09804	1.9
230.08244	2.0
234.09956	1.6
235.10840	8.7
239.11862	1.3
241.13356	12.8
243.11269	1.7
244.09711	1.5
246.07805	1.4
248.09183	1.3
257.09329	3.2
257.12994	1.1
258.11356	3.1
258.13800	2.4
259.14450	100.0
260.14819	1.5
261.08652	6.8
263.10492	1.8
271.10886	1.4
272.09210	1.5
275.13962	3.1
285.12589	3.6
287.10431	3.5
287.13425	1.2
289.11942	2.6
301.11923	4.0
305.11398	4.1
312.90808	1.2
338.11517	1.5
350.15106	1.1
351.16736	1.3
352.20505	1.4
358.14120	2.2
364.16565	1.4
365.17697	2.2
366.18005	1.9
380.19736	13.1
382.21283	72.5
383.21689	3.1
397.17667	1.8
406.17731	1.7
407.16168	1.8
408.19223	4.3
425.16779	7.6
426.20258	39.0
430.15994	2.0
435.15555	5.4
450.16422	1.2
452.18228	3.7
453.16580	20.8
454.16815	1.2
456.21341	53.9
468.18323	2.1
470.19272	6.0
471.17938	1.4
478.16046	1.2
482.19345	3.3
488.20374	2.7
496.17480	5.5
603.24658	3.8
615.24402	4.2
621.25513	10.4
633.25458	11.8
651.26666	80.7
652.26855	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	651.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.5
56.05064	1.1
65.03939	1.6
67.05500	2.9
71.04971	1.2
71.56570	1.3
74.49431	1.1
79.05499	1.7
90.05180	1.0
91.05495	7.4
93.05795	4.3
93.07059	6.0
94.06580	3.2
95.04967	2.2
97.17149	1.0
108.08133	16.3
110.06059	1.8
112.88898	1.0
117.07024	1.6
118.06574	1.5
119.04932	7.0
119.08559	1.2
120.08124	1.9
121.06506	4.1
122.06039	16.0
123.05651	1.3
134.06004	1.4
134.09669	3.9
136.07591	37.7
138.09157	2.8
140.07100	3.1
146.06000	2.3
147.04437	3.9
148.07552	1.4
149.07166	3.7
150.05560	1.1
152.06999	1.1
160.07611	3.0
162.05566	2.8
162.09166	7.3
163.08665	1.9
164.07077	100.0
172.07600	1.7
174.09140	2.6
175.05077	3.7
177.06612	10.3
181.09715	10.8
182.08168	3.2
186.05574	4.2
188.07103	3.1
189.10339	1.5
190.08621	12.2
191.08234	5.2
199.09938	1.3
200.07138	2.5
202.08646	5.6
203.08273	2.0
214.08714	1.5
216.10297	2.2
217.09790	2.3
218.08133	20.0
219.08867	2.2
220.09753	1.7
225.05440	1.3
228.06566	11.8
230.08159	5.7
235.10835	2.1
236.09372	1.5
242.08208	3.1
243.11206	1.5
244.09752	2.9
245.09369	3.1
246.07683	2.3
248.09274	4.1
258.11334	3.7
261.08698	6.8
263.10123	2.5
267.11322	1.5
270.07639	2.3
272.09332	2.4
274.13272	1.2
275.13992	2.3
287.10428	2.9
288.08759	3.6
289.11856	1.7
290.10400	1.6
291.63083	1.2
301.11969	5.1
305.11249	6.7
307.13028	1.4
313.11798	2.9
330.14514	1.6
338.11163	1.6
340.13040	3.0
351.17102	1.9
358.14041	5.5
361.15668	3.4
379.16760	2.2
389.15042	2.3
397.17657	3.0
398.17334	1.3
406.17569	1.4
407.16251	4.2
416.18628	1.8
424.18436	1.3
425.17178	8.4
426.20807	1.5
434.16916	1.8
435.15485	11.7
450.16803	2.5
452.18222	5.4
453.16592	33.0
454.16977	1.7
456.21463	2.9
468.17603	5.3
470.19165	11.2
471.17740	4.8
478.07904	1.1
478.16174	2.0
488.20248	9.3
496.17267	11.1
603.14606	1.1
615.24701	3.8
633.25574	26.7
651.26672	52.7
652.26959	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	649.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.01876	1.7
55.05519	9.8
56.06725	1.1
57.07069	2.4
58.42294	1.2
67.01867	2.0
67.05511	6.0
68.99798	8.1
69.03419	1.6
69.07080	14.5
70.18964	2.4
70.19342	4.5
79.05489	5.5
81.03452	1.7
81.07069	10.3
83.04976	2.8
83.08629	9.8
91.05494	3.2
93.07045	8.3
95.04978	2.3
95.08622	6.4
97.02905	1.2
97.06531	5.9
97.10175	4.0
105.07037	3.0
107.08582	7.2
109.06556	1.6
109.10171	2.0
111.00812	22.0
111.04452	5.6
111.08026	2.9
113.35378	1.2
117.07061	1.2
119.08590	2.6
121.06514	1.2
121.10147	6.7
123.08080	1.8
125.06025	2.1
125.09653	3.1
127.03941	8.8
131.08563	2.7
135.08075	3.5
135.11674	2.4
137.09589	1.8
137.60033	1.4
139.03925	14.5
139.07585	1.6
143.08562	1.4
145.10193	1.3
147.11688	3.0
149.09660	1.9
149.13266	5.0
159.11687	1.4
163.07582	1.6
163.14798	4.0
167.07010	3.4
167.10783	1.6
171.10149	2.3
173.13304	2.6
181.08591	2.8
191.14359	2.9
195.10165	4.2
195.13899	1.7
205.15889	1.5
209.11786	2.4
209.15413	9.1
227.16437	2.4
233.31743	1.2
237.14914	4.0
251.16457	37.6
265.14417	5.1
265.17975	2.4
279.15945	100.0
280.16125	1.3
293.17471	8.9
297.17087	1.8
339.18030	1.6
351.67902	1.4
353.19632	24.2
367.21140	2.3
514.35706	1.4
605.32635	2.7
620.02051	1.3
631.34735	20.4
649.32471	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	649.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	17.5
55.01871	8.1
55.05515	21.1
57.03422	9.9
64.56206	2.5
65.03924	6.2
67.05177	3.4
67.05515	63.2
69.03448	14.7
69.07068	11.7
71.04987	6.3
79.05499	100.0
81.03426	40.8
81.07061	56.6
81.16876	2.6
81.74423	2.7
83.04995	18.1
83.08620	9.6
85.02911	11.2
91.05491	98.7
93.07056	87.5
95.04987	38.6
95.08617	33.8
97.02905	8.6
97.06528	7.1
97.10178	5.8
99.04454	4.7
103.05457	4.2
105.04483	3.2
105.06378	5.5
105.07044	66.3
106.51133	2.7
107.04945	11.6
107.08607	23.1
109.02875	8.5
109.06507	10.2
109.10139	4.0
111.04422	5.0
115.05473	6.7
117.07020	23.2
119.08573	30.9
121.06472	4.7
121.10102	5.7
123.08044	8.0
127.03916	8.0
128.06210	7.9
129.07019	40.9
131.04866	5.4
131.08603	15.2
133.06493	8.3
133.10117	15.1
141.06982	5.3
143.08557	24.2
145.06450	6.1
145.10115	12.4
147.08063	6.8
147.11691	40.2
155.08559	4.4
157.10152	7.5
159.08046	8.6
159.11713	6.4
161.09569	8.0
161.13284	18.7
161.96042	2.8
167.08583	4.1
169.10078	4.0
171.08089	7.3
171.11710	39.6
173.04494	7.7
174.98521	2.9
180.61826	3.1
181.10226	5.4
183.08092	3.6
185.09689	5.3
187.11118	3.4
189.12772	19.0
195.11668	3.3
207.13826	43.5
223.14798	4.7
233.15404	4.2
251.14360	4.5
259.16855	3.6
269.15329	13.3
281.14630	4.6
281.17490	59.0
287.16287	18.7
318.27887	3.2
361.20050	5.9
425.21439	6.1
444.10300	2.8
487.30579	47.0
501.31812	6.1
539.33502	3.4
567.33240	8.9
631.34595	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	649.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28890	1.4
51.02374	1.3
53.03947	16.5
55.01858	4.2
55.05305	1.6
55.05514	18.3
57.03424	6.4
57.14875	1.6
63.40754	1.3
65.03940	4.6
65.05935	1.4
67.05507	63.6
69.03432	9.6
69.07071	13.7
69.85109	1.5
71.04980	4.4
73.06544	2.8
77.03918	2.1
79.05495	99.3
80.16456	1.6
81.02975	2.6
81.03422	37.6
81.07058	50.8
83.04987	15.9
83.08630	8.4
83.76411	1.6
85.02895	12.1
85.06530	3.6
91.05486	96.0
93.07050	100.0
95.04974	31.2
95.08049	2.2
95.08612	31.2
97.02898	5.9
97.06510	7.2
97.10149	1.9
99.04418	3.0
103.03912	4.5
103.05454	4.2
105.04498	3.0
105.07034	61.1
107.04946	11.9
107.08598	21.1
109.02883	26.4
109.06539	10.0
109.10149	3.8
111.04390	2.0
111.08092	3.7
115.05447	2.9
117.07011	15.5
119.08585	27.7
121.06502	5.4
121.10137	5.7
123.04413	1.7
123.08096	9.8
127.03919	41.5
127.07610	1.9
128.06194	7.7
129.07007	31.0
129.25203	1.6
131.08557	6.0
133.06476	2.4
133.10127	16.6
135.08035	2.3
135.11705	1.8
141.06998	2.0
142.07739	2.0
143.08551	18.0
145.05005	1.5
145.06494	2.9
145.10120	18.5
147.08069	4.9
147.11693	71.0
157.10095	1.9
159.11574	3.8
161.09621	11.3
161.13269	22.8
163.11185	2.8
165.05502	2.4
165.09103	1.6
167.08604	1.7
169.10132	1.6
171.08066	1.7
171.11705	55.8
179.14302	2.8
183.06520	5.1
187.11140	1.9
189.12752	23.0
201.79364	1.5
207.13820	97.5
225.14816	6.8
226.70872	1.8
228.23174	1.9
256.26392	1.9
281.17493	53.6
287.16504	2.4
309.16968	7.9
315.15894	2.9
320.91159	1.8
323.18597	1.8
333.16830	3.9
351.18008	15.5
369.18985	1.8
389.19662	7.1
407.20471	1.7
649.35791	3.0
649.51666	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	649.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.4
57.03450	2.7
60.14709	0.6
61.02922	2.8
67.05505	4.5
69.03440	2.4
69.07073	1.6
71.01351	0.6
71.04977	0.6
73.02925	2.2
79.05492	4.1
81.03426	2.7
81.07060	4.6
82.18998	0.6
83.04995	1.5
83.08607	0.9
85.02914	4.8
91.03970	1.7
91.05486	4.2
93.07062	4.5
95.04967	1.5
95.08612	2.6
97.02906	2.5
98.20731	1.6
99.72772	0.6
101.02388	1.3
105.07041	3.4
107.08588	2.0
109.02879	0.8
109.06500	0.7
109.10171	1.1
117.07042	0.7
119.08591	1.5
121.10125	3.7
127.03905	1.4
129.06929	0.7
131.08627	1.4
133.10150	2.2
135.11745	0.7
139.11200	0.9
147.11703	1.5
149.13330	1.3
159.11795	0.8
167.10658	0.7
171.11775	0.7
181.88828	0.6
189.12897	0.7
215.18185	0.7
217.99611	0.6
243.08478	1.4
247.13191	0.7
425.17929	4.8
437.17862	3.1
453.20834	2.7
465.21130	2.6
606.84467	0.6
631.38678	1.9
649.31982	100.0
650.32007	6.2
677.52393	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26583	0.9
69.03426	1.6
70.94804	1.9
70.95114	1.2
81.03436	1.1
82.99858	1.4
85.02893	1.5
89.03925	3.2
91.05508	1.5
97.02893	2.1
98.97617	1.6
101.00893	10.5
103.05486	1.2
109.02887	3.0
113.00884	2.4
113.80180	1.2
115.02419	2.0
117.03370	3.5
119.01934	24.1
119.05016	1.4
121.01727	1.2
127.02412	1.7
131.01901	9.8
131.04912	4.1
133.03499	1.1
135.04443	6.8
136.47636	1.0
137.02954	2.6
139.02333	1.1
143.01903	19.9
144.48407	1.0
145.02699	3.7
145.03676	9.1
147.01389	1.5
147.04385	9.6
149.02855	1.1
149.05986	6.5
155.01903	15.0
157.03526	7.9
159.04390	1.3
159.68748	1.2
161.02969	22.7
163.03911	74.9
164.04192	2.4
167.01906	9.3
169.03455	4.7
171.05025	3.2
173.01556	2.1
173.02982	22.5
175.04521	2.7
177.05466	1.3
179.01878	4.1
185.02975	48.1
187.02872	1.5
187.04472	5.4
189.03926	1.6
191.03920	1.3
193.03535	1.5
196.04504	1.2
197.02966	19.1
203.01955	3.7
203.04021	12.5
203.05785	2.0
205.03513	3.0
206.05913	1.0
207.05127	5.2
209.02992	3.8
215.04015	9.6
217.03636	1.7
218.04279	1.7
219.05025	1.7
221.02974	56.2
221.04976	2.2
222.03166	2.3
223.04601	1.3
225.06078	1.5
227.04033	8.8
231.05067	1.3
233.03113	1.8
235.04593	5.9
237.03180	1.1
237.05684	1.4
239.02003	1.8
239.04050	14.6
241.03407	3.7
244.04355	1.3
245.02997	6.8
245.05095	100.0
246.05243	2.6
247.04823	2.6
253.05684	2.3
257.02899	1.6
257.05136	17.6
259.04532	10.6
261.02515	6.3
263.03979	17.0
263.06223	9.9
275.06271	11.7
277.05573	22.0
279.03500	9.2
281.05084	45.6
282.05447	1.9
293.07196	4.4
295.06680	15.9
299.06503	7.9
305.07465	6.1
307.06531	2.9
309.08560	1.2
311.06250	1.8
317.05023	4.8
319.06516	1.7
321.04630	4.1
323.06372	2.5
325.07709	1.7
335.08655	1.6
337.07645	2.1
339.05646	62.7
340.05811	1.8
347.06131	4.0
351.05640	3.5
353.07175	2.6
357.06778	6.4
362.07092	2.9
365.07074	27.7
369.06635	7.4
381.06696	14.7
383.08194	7.1
399.07623	4.2
411.07898	2.0
423.07706	9.6
441.08902	15.2
603.13397	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	646.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.6
55.01871	4.6
55.05508	17.2
57.03437	14.4
61.51103	3.4
67.05505	32.4
69.03431	65.4
69.07076	36.9
70.50608	8.2
70.50962	7.0
73.02912	4.0
79.05499	32.7
81.03425	44.2
81.07063	75.6
83.08616	9.1
85.02917	47.7
87.00832	21.0
91.05499	23.9
93.07041	49.5
95.08598	41.5
97.02902	37.4
98.20868	4.1
99.04475	20.8
103.03965	7.8
105.01871	18.9
105.07040	40.9
107.08600	43.3
109.02892	24.8
109.10179	34.3
111.11732	18.5
111.14751	3.6
112.95728	4.2
117.07037	11.0
119.08591	48.1
119.88924	3.4
121.10155	23.2
123.11703	11.7
126.66228	3.8
127.03930	67.0
131.08601	9.7
133.10130	27.3
135.11736	30.7
145.04970	26.8
145.10146	13.2
147.11652	21.6
149.13275	17.9
159.02879	24.5
159.06467	4.0
159.11720	9.6
161.13359	11.0
163.14824	10.3
173.13313	5.6
175.14835	7.8
177.16449	12.1
183.06538	16.4
187.14825	5.8
189.03836	4.1
189.16441	8.1
201.07597	6.6
201.16364	7.5
213.04076	5.0
215.17972	8.6
229.19588	4.3
231.05017	100.0
249.06073	36.7
255.16003	6.1
271.24255	29.6
305.08667	26.7
323.09607	13.0
328.70444	4.0
337.72958	4.5
444.89139	4.3
449.28958	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	646.38
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.6
55.05503	8.6
57.03434	5.9
57.07051	3.0
63.04990	2.8
67.05506	27.4
69.03437	40.3
69.07070	21.0
70.88564	5.0
71.04992	5.1
73.02925	5.0
79.05494	22.0
81.03428	31.3
81.07062	75.9
83.08632	10.2
85.02908	41.7
87.00848	14.8
91.05486	15.1
93.07050	39.5
95.08054	4.6
95.08621	73.7
97.02905	18.3
97.10191	6.3
99.04458	11.8
105.01880	12.1
105.07034	44.7
107.08607	54.1
109.02902	15.4
109.10172	34.7
117.01882	3.0
117.07043	7.2
119.08595	41.8
121.10146	39.4
123.11736	16.7
125.09639	2.7
127.03929	41.8
131.08574	7.2
131.31485	2.8
133.10147	21.2
135.11711	100.0
137.13254	4.1
145.04955	15.2
145.10127	13.4
147.11720	24.3
149.13284	10.2
155.08566	3.0
159.02896	13.0
159.11705	10.6
161.13268	14.1
163.14841	10.1
164.84790	2.6
173.13322	7.3
175.14752	6.5
177.16422	23.3
183.06569	13.5
187.14830	10.9
189.16403	7.4
201.07596	5.7
201.16438	7.6
203.17952	18.7
215.18001	10.8
229.19614	3.5
231.05035	70.1
231.20992	3.3
249.06111	32.5
271.24222	60.2
305.08786	31.3
323.09775	11.7
385.36584	3.4
385.45529	3.1
400.21970	3.2
474.06915	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	646.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.6
55.01882	2.6
55.05519	12.7
57.03432	5.8
57.07071	4.5
61.02942	2.6
67.05510	22.4
68.99742	1.2
69.03432	46.3
69.07071	25.5
69.42775	1.3
69.95995	1.5
71.04989	5.2
71.08636	2.0
71.57014	2.2
73.02921	4.4
79.05505	24.0
81.03419	29.6
81.07059	100.0
83.08631	12.6
85.02909	36.7
85.03423	1.5
87.00828	16.3
91.03944	2.3
91.05478	15.9
93.05508	1.6
93.07042	32.0
95.04978	3.6
95.08610	45.4
97.02894	23.0
97.06535	1.7
97.10176	5.5
99.04472	12.6
103.03967	3.4
105.01855	9.5
105.07031	35.9
107.08591	29.8
109.02888	19.1
109.06558	3.3
109.10159	28.5
111.08128	2.4
117.01871	2.7
117.07040	6.0
119.08588	32.0
121.10149	21.3
123.11701	12.0
127.03926	37.4
131.08571	8.7
133.10153	18.1
135.11676	12.0
137.13280	4.5
145.04974	19.0
145.10103	14.8
147.11694	20.8
149.13277	10.5
153.17090	1.6
159.02910	16.5
159.11713	15.7
161.13269	10.0
162.78210	1.6
163.14812	6.5
166.73314	1.4
171.11739	1.5
173.13289	8.6
173.17937	1.5
175.14832	6.0
177.16414	5.8
183.06573	12.8
187.14771	8.2
189.16391	11.0
201.07578	5.2
201.16399	7.8
203.18044	7.6
210.07816	1.3
213.04010	4.9
215.17931	14.1
223.51891	1.5
229.19693	1.7
231.05020	72.6
249.06087	31.4
271.24197	22.0
289.25244	5.6
305.08688	25.3
323.09799	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	646.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	6.8
55.05507	14.8
57.03439	12.7
57.59752	3.3
65.03923	3.5
67.05173	3.5
67.05509	48.2
69.03434	25.3
69.07079	20.3
71.04984	2.8
71.14849	7.0
73.02905	2.8
79.05502	35.6
81.03436	22.7
81.07066	59.7
83.08614	8.8
85.02930	21.0
85.06559	3.1
87.00809	7.7
88.20311	2.8
91.03947	3.6
91.05480	16.0
93.07057	50.8
95.04983	4.2
95.08604	26.6
97.02364	3.2
97.02881	16.4
97.06535	13.4
97.10181	6.6
99.04449	6.3
105.01869	3.2
105.07028	18.2
107.08601	38.1
109.02874	8.9
109.10156	11.1
111.08183	3.2
117.07018	5.1
119.08591	14.2
121.10159	17.4
123.11745	5.3
127.03925	24.0
131.08606	6.5
133.10150	14.3
135.11702	24.7
145.04977	9.3
145.10152	10.4
147.11726	8.0
149.13289	13.3
159.02928	9.5
159.11707	10.9
161.13266	4.1
162.86351	3.3
163.11137	3.5
163.14812	6.1
171.11891	2.9
175.14801	4.9
181.12436	3.6
183.06572	10.4
215.18083	3.4
231.05002	38.6
237.07495	3.0
249.06024	20.9
255.15956	28.3
269.17468	29.1
271.24289	7.0
305.08716	11.8
323.09857	7.4
324.39554	3.1
354.31744	3.5
414.26773	3.4
423.77405	3.8
429.11703	5.1
449.29028	100.0
544.30383	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	646.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.7
53.85872	1.0
54.47145	0.9
55.01892	7.2
55.05509	6.3
56.59824	1.1
57.03437	3.6
61.02922	3.9
63.31610	1.0
65.03949	1.8
67.05515	22.0
69.03418	3.6
69.07079	16.6
69.93903	2.7
69.94299	2.3
71.04996	3.9
74.66566	1.0
75.27181	1.0
79.05499	23.8
81.03436	12.2
81.07065	20.2
83.04984	4.2
83.08611	3.4
85.02914	5.5
85.06558	1.5
86.09708	1.4
91.03938	1.3
91.05489	25.9
93.07051	17.9
95.04985	7.8
95.08629	10.4
97.02891	2.6
97.06531	5.0
97.10167	2.6
99.08145	1.3
103.05470	1.2
105.07044	17.7
107.04957	8.9
107.08607	18.7
109.02870	1.1
109.06541	3.2
109.10160	10.7
111.08072	1.7
113.06012	1.8
115.05458	1.5
117.07034	12.3
119.08583	9.0
121.02888	1.3
121.06512	3.6
121.10149	3.3
123.08039	2.4
123.11680	2.6
125.06036	4.0
125.09650	10.1
127.03901	1.4
129.07018	4.4
131.08575	6.4
133.06477	2.9
133.10158	19.1
135.08070	13.9
135.11708	3.4
137.09630	2.7
141.06992	1.3
143.07013	5.5
143.08557	4.1
145.06485	3.9
145.10146	4.7
147.08076	3.3
147.11702	2.1
149.09613	1.8
149.13188	1.1
151.11174	9.4
153.09116	8.5
155.08598	2.1
157.06519	1.9
157.10133	3.2
159.08099	2.4
159.11635	1.6
161.08188	1.5
161.09674	3.7
161.13254	1.2
163.07553	6.0
163.38457	1.0
165.09065	1.2
167.08627	1.3
167.47235	1.1
169.10149	2.5
171.11667	2.5
173.09654	1.5
175.11203	1.7
177.09119	2.1
179.10664	1.7
181.08607	1.2
181.10062	2.2
183.11714	2.1
185.09593	1.6
185.13271	1.7
197.13309	2.2
199.09601	2.3
199.11234	1.9
213.12761	1.7
215.10692	1.5
215.14336	1.4
227.10745	1.8
233.15154	1.2
239.58223	1.5
249.14786	1.6
250.27879	1.1
255.12334	4.7
269.17453	4.0
311.20139	4.0
329.21188	3.8
339.19461	10.5
357.20624	26.9
375.21573	3.3
403.24988	1.6
413.22641	2.3
431.24316	100.0
432.24628	4.5
449.25381	63.1
467.26492	3.9
503.51669	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
55.01861	5.4
55.05510	10.2
57.03440	6.0
59.05021	1.2
61.02921	3.2
67.05506	14.7
69.03422	3.3
69.07075	6.4
70.91718	2.9
71.04988	2.3
77.73550	1.2
79.05062	1.6
79.05494	19.1
81.03430	7.2
81.07060	24.9
83.04971	5.3
83.08620	6.0
85.02908	4.3
86.09728	1.5
91.03945	1.9
91.05484	17.4
93.07053	17.7
95.04974	15.7
95.08607	17.7
97.02895	3.6
97.06532	3.5
97.10168	8.4
99.08104	2.0
105.07033	11.4
107.04971	6.8
107.08609	11.9
109.02879	2.3
109.06522	7.5
109.10133	5.9
111.04461	4.3
111.08060	2.5
117.07014	5.4
119.04977	1.5
119.08583	8.7
121.06477	5.7
121.10104	5.6
122.09583	1.3
123.04428	1.4
123.08075	15.3
125.05984	1.3
125.09634	10.4
128.06192	1.5
129.06940	3.8
131.08591	7.2
133.06461	3.3
133.10136	7.3
135.04355	1.5
135.08049	7.7
135.11705	5.8
137.09636	2.1
139.11203	1.5
141.07011	1.6
143.06963	1.4
143.08563	4.6
145.06494	2.7
145.10176	9.2
147.04414	2.6
147.08061	3.3
147.11696	2.1
149.05959	1.5
149.09622	2.9
151.07553	3.5
151.11189	1.5
153.09084	1.6
153.12773	2.0
155.08583	3.4
157.06537	2.1
157.10152	2.8
159.11714	4.2
160.17101	1.1
161.06029	1.7
161.09590	4.1
163.07568	3.3
163.11192	10.0
165.09134	1.9
167.08569	1.4
167.10677	2.1
169.10107	2.5
171.08090	2.8
173.09558	2.8
173.13185	1.2
175.07591	1.4
175.11163	2.5
177.12787	1.4
179.10664	1.4
181.10207	1.4
181.12199	3.2
185.09593	3.0
187.11255	7.5
189.11171	2.6
191.10706	2.1
193.12306	2.8
199.11232	2.4
203.03349	1.5
205.12271	5.2
207.13866	1.4
209.13301	1.7
213.09126	1.6
217.12146	1.6
223.13263	1.6
227.12775	3.1
241.14342	4.4
245.11768	1.8
283.15530	3.1
311.20023	6.1
321.18375	3.0
329.21170	9.3
339.19611	11.2
352.35443	1.2
357.16498	1.8
357.20633	25.6
375.21722	6.1
413.23129	3.3
431.24301	100.0
432.23920	2.0
449.25375	75.1
450.25461	2.1
467.26129	3.6
492.68365	1.4
582.04370	1.3
583.28119	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
53.18697	0.4
53.40846	0.3
55.01851	0.5
57.03411	0.9
61.02928	4.3
62.78683	0.3
65.03942	1.8
68.99777	0.7
69.03430	3.3
71.04984	0.7
71.56395	0.6
73.02892	1.3
81.03403	2.0
85.02908	9.3
87.04436	0.4
89.43091	0.3
91.03977	1.8
91.05457	1.2
93.03416	2.3
97.02893	4.1
107.04980	0.4
109.02860	1.5
111.00761	0.5
111.03717	0.5
111.04440	8.5
119.04913	0.5
121.02826	1.5
123.04391	0.8
127.03912	2.1
135.04395	0.6
137.02344	13.2
137.03380	0.8
137.05945	0.5
139.03905	22.4
145.02911	0.4
145.04890	1.1
147.04323	1.1
149.02367	0.5
153.01833	3.9
161.02335	0.8
163.03896	3.0
165.01892	2.1
169.99544	0.3
173.05975	0.8
177.01810	0.5
177.92792	0.4
179.03369	0.9
181.01329	0.5
181.04982	3.1
183.02919	0.7
187.03918	0.5
189.01813	0.6
191.03404	0.4
195.02820	0.5
201.05457	1.8
203.03403	0.9
205.01306	2.2
207.02853	0.8
211.03889	0.5
213.05420	0.5
217.01286	1.6
227.03346	0.5
229.05032	5.1
229.07207	0.3
231.02869	0.5
241.04994	0.9
245.04262	0.4
247.06091	0.7
253.04964	0.4
255.02817	0.8
255.06532	0.5
257.04462	3.7
273.03915	1.1
274.04678	1.0
275.05429	0.4
281.04581	0.7
285.04071	2.2
287.05417	0.7
299.05457	1.4
303.04990	100.0
304.05405	1.8
307.06033	0.4
311.05557	0.5
315.04944	0.7
319.04507	1.3
325.06934	0.5
327.04987	0.6
329.02838	4.0
329.06583	5.1
331.04370	2.3
337.03271	0.7
347.03931	4.6
349.94983	0.4
355.04483	6.7
367.08264	0.6
373.05453	1.7
377.06564	1.6
405.06000	0.7
423.07095	14.8
437.08875	0.6
447.07059	0.6
465.08194	7.5
483.09222	97.8
484.09485	2.3
499.08597	0.5
623.95074	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	8.2
55.75025	2.3
57.03437	3.6
57.06821	2.9
57.07079	38.0
58.18007	2.2
58.96698	2.2
61.02930	17.2
66.10021	2.0
66.44201	2.3
67.05501	13.4
69.03425	8.4
69.07070	14.7
69.10295	2.2
71.08636	29.0
73.02915	7.0
79.05482	6.4
81.03431	5.2
81.07057	22.4
83.04946	2.3
83.08608	7.3
85.02912	21.8
85.10198	17.0
91.03970	16.2
91.05489	3.1
93.07057	11.5
95.08611	29.8
97.02891	12.9
97.10172	7.0
105.07038	9.8
107.08591	10.0
109.10172	13.0
111.11714	6.8
119.08578	9.5
121.10137	7.3
123.11692	6.1
127.03933	11.7
131.08598	2.7
133.10155	4.5
135.11713	3.7
137.13243	4.4
143.08490	2.4
145.04921	11.7
145.10103	3.1
146.34258	2.2
149.13228	3.3
152.06322	2.4
154.15524	2.5
159.11700	4.3
163.06032	14.2
173.13130	3.0
175.14690	3.1
178.68433	2.1
184.11243	2.3
203.17993	2.9
211.20598	23.5
229.21651	4.5
231.04947	9.0
249.06107	5.2
285.24280	100.0
285.27496	4.7
303.25311	50.3
387.71472	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	2.4
57.03443	4.4
57.07080	32.0
61.02931	12.4
67.05514	8.7
69.03436	1.7
69.07068	7.9
69.58487	6.0
71.08637	24.2
73.02924	5.0
75.04495	1.8
81.03422	1.9
81.07066	11.9
83.08621	4.0
85.02910	15.8
85.10188	13.3
91.03948	11.8
91.05506	1.6
92.31617	1.0
93.07059	1.3
95.08611	20.2
97.02897	5.8
97.10178	4.4
105.07076	1.1
109.10159	10.2
111.11709	2.7
123.11707	5.1
127.03905	6.1
133.57117	0.9
137.13243	2.8
145.04956	6.9
159.03578	1.0
163.06042	10.1
211.20580	23.5
229.21696	3.3
247.46869	1.2
285.24265	100.0
303.25314	32.1
360.22919	0.9
433.63208	0.9
446.09528	1.1
447.29617	3.1
607.47992	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	8.9
55.01899	5.7
55.05501	15.3
57.03432	9.3
57.07088	29.3
61.02902	7.8
67.05515	41.3
69.03432	48.3
69.07087	35.9
70.19627	18.8
70.44995	4.2
71.08649	32.5
73.02905	5.3
79.05495	36.3
81.03426	27.8
81.07063	86.6
83.08631	12.0
85.02914	57.9
85.10185	14.0
87.00837	14.9
91.03961	9.1
91.05501	32.6
93.07041	57.0
95.04964	11.2
95.08617	70.7
97.02898	36.0
97.06531	11.2
97.10174	8.4
99.04480	10.5
103.03947	5.3
103.49129	4.7
105.01855	8.3
105.07044	62.6
107.08610	76.2
109.02889	17.9
109.06564	6.6
109.10171	48.9
111.11747	5.3
117.07034	6.2
119.08594	50.5
121.06530	6.2
121.10168	43.5
123.11719	14.2
125.09641	15.1
126.53328	5.1
127.03934	45.5
131.08586	15.7
133.10156	32.2
135.11731	32.1
137.13240	8.8
142.07851	4.5
143.08568	17.4
145.04950	23.3
145.10118	22.9
147.11729	34.7
149.13280	25.3
149.55371	4.7
157.10178	13.5
159.02907	18.9
159.11679	31.7
161.13274	24.9
163.06062	13.0
163.14758	5.0
171.11711	11.5
173.13290	19.6
175.14832	21.0
183.06567	17.9
185.13174	5.4
187.14859	9.5
189.16350	6.5
199.14774	11.5
201.16454	5.1
211.20625	24.1
213.04042	5.4
213.16394	21.4
229.21683	6.2
231.05026	86.8
249.06100	35.8
269.22760	31.1
285.24274	100.0
287.23645	17.0
303.25284	47.3
305.08835	30.5
323.09811	20.7
389.55246	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	644.365
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92792	6.3
53.03957	9.2
55.05518	19.3
57.07063	10.6
64.46999	6.5
65.85823	6.1
67.05511	62.0
69.03431	50.6
69.07076	38.4
69.73333	38.0
71.05003	13.6
72.91367	6.7
79.05505	65.9
80.48599	6.0
81.03426	53.8
81.07063	98.6
83.04976	11.6
83.08607	14.5
85.02926	50.2
85.06563	18.5
87.00837	19.3
87.04431	6.5
87.86578	6.4
91.05482	85.3
93.07056	81.2
95.04972	14.0
95.08624	74.8
97.02890	30.2
99.04445	15.6
105.07034	100.0
107.08603	64.8
109.02908	23.2
109.06551	10.2
109.10175	51.2
117.07028	30.4
119.08585	79.9
121.06516	8.1
121.10143	38.8
123.11734	8.2
124.51531	6.8
125.09634	7.9
127.03923	56.7
128.06204	7.4
129.06982	9.5
131.08572	47.3
133.10120	39.9
135.11711	39.7
143.08575	21.0
145.04958	20.7
145.10149	59.5
147.11659	41.3
149.13257	13.5
157.10144	33.9
159.02911	14.0
159.11700	38.8
161.13313	36.1
163.11284	12.0
171.11717	21.3
173.13263	19.3
175.14845	14.4
183.06497	18.7
185.13260	16.7
187.14853	25.4
199.14828	29.5
201.16476	19.9
213.16403	30.8
229.19522	22.5
231.05000	83.8
231.17421	15.4
249.06064	36.6
269.22632	35.9
287.23691	20.1
305.08743	28.9
323.10092	12.9
373.49994	7.2
644.35229	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	644.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.2
55.01876	1.3
55.05513	8.1
57.03444	14.9
65.03949	1.3
67.05510	27.4
69.03421	1.2
69.07081	6.7
69.45369	2.5
69.45790	3.6
71.01355	1.7
71.04993	2.6
79.05499	31.1
81.03430	6.6
81.07063	24.9
83.04995	7.0
83.08619	7.0
85.02887	1.9
85.06541	2.0
91.05487	39.9
93.06464	2.0
93.07054	38.0
95.04977	6.3
95.08620	9.5
97.02894	2.7
97.06533	3.8
97.10194	0.9
98.20741	1.6
105.07040	19.0
107.04971	5.1
107.08593	10.0
109.06512	2.4
109.10163	1.1
111.08099	1.9
117.07049	7.3
119.08609	10.1
121.06537	1.6
121.10156	15.4
123.08115	1.3
128.06252	1.3
129.07027	3.6
131.08603	5.0
133.10135	14.4
135.08040	2.0
135.11728	2.2
139.11185	3.2
143.08585	3.2
145.10158	2.9
147.08095	0.9
147.11708	8.1
149.09653	5.1
149.13257	6.3
159.11725	3.5
161.09622	7.2
161.13292	1.4
167.10724	2.6
167.66159	0.9
171.11726	5.8
179.10617	4.2
189.12718	2.5
195.13852	1.9
207.13817	5.7
241.14371	24.6
253.14384	26.2
269.17496	18.6
281.17496	12.2
288.24069	0.9
372.64008	0.8
403.24527	1.1
447.27444	100.0
448.27768	3.1
576.34351	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37660	0.4
67.05504	1.0
69.39359	1.7
69.39780	1.7
71.50478	0.4
79.05488	0.6
81.07045	0.8
91.05470	0.5
93.07045	0.6
95.08607	0.7
97.10171	0.4
113.00278	0.5
119.08618	0.7
126.06448	0.5
140.32304	0.4
147.04407	0.7
158.28534	0.5
209.97733	0.4
274.96326	0.5
329.82623	0.4
622.95770	0.5
643.25293	100.0
644.25665	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	642.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.8
55.01865	5.9
55.05524	8.5
57.03436	3.9
57.07063	5.6
58.46775	1.1
61.02937	7.1
67.05509	12.3
68.99783	2.2
69.03080	1.8
69.03436	32.8
69.07076	8.1
69.37114	6.0
69.37541	4.0
71.04988	3.4
73.02913	5.0
79.05492	2.0
81.03426	16.1
81.07063	31.0
83.04970	1.5
83.08625	8.7
84.08076	1.4
85.02911	100.0
87.00835	39.3
93.07067	1.5
95.08613	40.4
97.02898	29.1
97.09615	1.6
97.10187	17.2
99.04453	8.2
105.01877	94.5
107.08559	1.4
109.02888	28.4
109.10162	56.6
110.70602	1.2
115.03901	1.5
115.11191	2.6
121.10120	2.7
123.11717	63.3
127.03926	77.2
129.01860	2.2
137.13254	22.7
139.14806	1.4
145.04967	27.9
147.02873	2.8
151.24309	1.4
159.02902	7.4
163.06085	2.9
177.16408	3.2
179.17976	55.0
189.03967	1.7
197.19019	66.1
213.03973	8.4
231.02682	2.3
231.05016	44.1
249.06061	42.6
271.08060	1.8
303.05057	1.8
359.24487	1.4
364.71091	1.2
368.60040	1.2
372.25116	1.3
391.21417	1.8
394.23505	1.4
409.22147	1.7
427.23618	1.8
445.24649	2.0
481.07642	1.7
525.26422	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
61.62954	0.4
63.51327	0.4
67.05478	0.6
69.36489	1.0
69.36900	3.2
79.05455	0.5
81.07034	0.6
81.52084	0.4
91.05430	0.8
93.07007	0.6
95.08536	0.7
98.21523	0.8
110.69888	0.5
135.11731	0.5
142.48894	0.4
205.25880	0.4
215.04001	0.5
248.02336	0.4
264.85498	0.5
282.31812	0.5
306.02200	0.4
380.62378	0.4
396.12338	1.2
397.13022	2.0
398.13919	0.9
409.13129	1.6
410.13602	2.8
411.14554	7.9
412.15341	4.3
413.16275	2.4
422.13947	0.6
423.14697	1.2
424.11188	1.6
424.15417	2.6
425.16351	13.2
426.16962	10.3
427.17966	2.2
428.18362	1.1
437.12042	1.2
437.16931	1.0
438.12247	3.8
438.17960	1.1
439.13712	17.7
440.13467	0.8
440.19052	5.1
441.19315	38.8
442.19965	2.9
451.14044	1.2
452.14297	4.8
453.15390	19.2
454.16010	4.7
455.15866	0.4
457.14819	1.3
458.15814	0.5
460.19861	0.4
463.14127	0.6
465.15540	0.8
466.12024	0.9
467.17197	25.3
468.17892	15.0
469.18796	13.2
470.18542	0.8
471.16595	0.9
472.17554	0.5
478.16248	0.6
479.16705	0.6
481.14722	15.7
482.15067	4.5
483.16290	0.7
485.18097	1.3
494.16940	0.8
495.16055	5.1
496.17032	24.0
497.17743	3.4
499.15741	0.6
509.18277	2.9
510.19348	0.6
512.20886	1.1
514.22015	1.8
523.19690	1.9
524.20276	0.5
527.22620	2.6
528.24097	0.4
537.19421	0.7
540.19751	0.9
542.21735	0.8
555.22418	31.7
556.22357	1.9
583.21930	100.0
584.22162	8.9
586.20276	0.6
587.25049	1.9
611.21503	2.0
614.23895	1.1
615.24512	12.5
616.24823	0.9
643.23853	82.7
644.23749	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	640.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84478	1.5
52.17484	1.4
53.03938	2.2
55.05507	4.9
57.03435	4.1
57.07061	1.5
61.02926	3.0
62.60091	1.4
67.05503	10.1
69.07051	3.2
71.56455	1.9
79.05498	16.3
81.03446	2.4
81.07074	13.3
83.04968	3.7
83.08599	1.9
85.02911	3.9
85.06580	1.4
91.05482	12.7
93.07051	17.5
95.04980	4.2
95.08620	7.7
97.02896	3.3
105.07044	11.6
107.08594	8.9
109.10141	3.1
117.07020	3.1
119.08592	6.3
121.10143	3.7
123.08070	1.4
127.03947	1.8
129.07022	4.5
133.10149	3.6
135.11717	2.6
136.21930	1.5
136.59749	1.4
145.10162	3.4
147.11690	11.5
161.09703	2.1
161.13211	3.0
163.06061	1.8
171.11691	8.7
189.12741	3.0
207.13846	6.1
281.17496	100.0
282.17709	2.1
443.22977	3.3
452.82104	1.4
471.19278	1.7
625.85999	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	4.4
55.01896	2.7
55.05516	24.2
56.68136	2.3
57.03432	6.8
57.07083	6.8
60.80719	2.1
61.97664	2.0
65.03954	4.4
67.05509	68.5
69.07078	25.9
71.08643	4.7
71.16696	2.4
77.03901	2.6
79.05498	47.8
81.07061	75.6
83.05000	3.2
83.08613	13.0
85.06554	5.9
85.10181	3.8
88.49870	2.3
91.05486	55.0
93.07047	52.5
95.04985	4.7
95.08614	61.0
97.06548	4.9
97.10194	4.5
102.43035	2.3
105.07046	44.4
105.07758	2.6
107.08597	30.5
107.09271	2.6
109.10161	26.6
111.08098	2.9
116.14527	2.5
117.07050	25.0
119.08572	36.2
121.10149	29.4
123.08102	2.9
123.11707	12.1
126.25917	2.6
128.06232	4.8
129.05501	5.0
129.07016	17.7
131.08578	37.8
133.10167	26.2
135.08101	3.3
135.11696	17.6
137.13216	5.4
141.07028	3.4
142.07825	2.7
143.08604	19.2
145.10136	26.4
147.11700	18.2
149.09610	3.3
149.13315	10.2
151.14813	3.0
155.08594	8.7
157.10159	19.8
159.11726	19.7
161.09674	4.4
161.13280	12.3
163.14839	5.7
167.08578	2.8
169.10162	10.4
171.11673	18.2
173.13261	14.8
175.11259	3.9
175.14835	11.8
177.16425	5.8
181.10216	6.6
183.11778	10.1
185.13293	20.4
187.14861	10.8
189.12718	4.2
189.16451	8.9
191.14125	2.8
195.11746	3.6
197.13304	5.4
199.14865	9.5
201.16455	10.2
203.14301	2.9
203.17975	17.8
205.19574	3.0
209.13307	3.4
211.14886	4.5
213.16428	5.9
217.19591	2.8
225.16502	2.8
227.17865	3.8
229.19650	2.5
239.17844	4.0
241.19606	3.8
243.21198	6.9
245.22733	2.8
257.19034	4.3
257.22601	3.1
259.20645	8.0
259.24216	5.8
261.22314	5.0
267.21152	6.3
269.22656	17.0
285.22107	15.1
287.23672	33.7
333.24426	3.1
335.25824	30.6
337.27533	8.5
359.25836	2.5
361.27493	10.1
363.28915	2.9
547.45105	10.1
621.49255	14.0
639.49854	100.0
640.50555	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	639.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.2
57.07064	0.9
58.06604	6.4
58.51173	0.4
67.05508	0.5
69.07079	1.0
70.06587	0.7
72.08162	11.2
73.06191	0.4
73.06542	1.8
79.05493	0.5
81.07090	0.6
83.04974	1.3
83.08606	0.4
84.08156	0.5
85.08919	0.8
86.09713	19.0
91.05463	0.4
92.11253	0.4
95.08604	0.5
98.06071	0.7
98.21500	1.0
100.11265	100.0
101.06031	2.0
101.11620	0.6
107.08567	0.3
109.10173	0.4
114.92233	0.3
128.10747	0.4
140.14333	3.3
146.11778	3.0
154.12312	1.5
154.15912	0.5
172.13347	2.4
196.13145	0.3
200.12875	0.4
200.16505	1.4
211.14481	0.6
214.14429	0.8
220.51680	0.3
222.05548	0.3
228.15973	5.8
235.56129	0.4
245.18526	0.5
285.21741	5.4
299.23337	8.3
313.21103	0.6
320.31311	0.4
321.20737	0.4
327.22800	14.3
355.58640	0.4
367.25684	0.4
384.44547	0.4
395.25064	0.8
412.31448	0.5
427.28317	0.4
440.31396	2.9
458.32281	5.1
484.34088	0.4
498.35110	0.4
512.33325	0.7
526.34558	0.9
540.36371	0.7
593.77661	0.4
611.43823	33.9
612.44470	1.6
621.42676	0.4
639.43323	8.8
640.43365	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	5.3
69.31377	46.2
70.52016	4.3
77.14621	4.4
81.95752	4.3
91.05473	5.6
95.08642	4.6
209.10724	6.5
223.44928	4.4
239.15504	6.0
240.56503	4.6
330.51544	5.5
449.19223	7.6
459.21631	18.4
547.26984	12.0
561.25653	5.4
579.25739	10.9
596.26117	8.0
606.19177	7.6
606.28363	100.0
607.24902	28.5
611.28491	17.3
639.27972	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	639.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	10.6
55.01880	7.5
55.05516	23.3
57.03447	10.9
57.19214	1.4
65.03933	2.8
67.05507	33.7
69.03435	16.2
69.07073	9.5
71.01347	1.6
71.05000	8.1
71.10944	1.3
72.47998	1.6
79.05502	33.9
81.03422	100.0
81.07063	36.9
83.04983	23.4
83.08631	24.6
85.02911	20.6
85.06531	4.0
91.04958	2.8
91.05489	33.3
93.07048	27.7
95.04971	31.0
95.08604	12.7
97.02913	18.1
97.06538	7.1
97.10191	9.2
99.04465	4.7
99.08105	3.8
103.05489	1.5
105.07041	27.6
107.04954	10.3
107.08597	18.2
109.02887	20.2
109.06522	7.8
109.10159	7.4
111.04444	14.3
111.08069	15.1
115.05468	3.3
117.07035	7.2
119.08576	22.2
121.06512	6.4
121.10176	13.7
123.04429	2.6
123.08054	4.7
123.11691	3.6
125.06018	2.4
125.09622	6.4
127.03946	12.1
129.05527	2.6
129.07004	15.6
131.04941	2.5
131.08591	15.0
133.06505	6.0
133.10124	11.2
135.04414	1.6
135.08081	3.1
135.11708	5.3
137.09624	2.9
142.07823	2.1
143.08578	2.6
145.06494	2.9
145.10120	6.4
147.04485	1.9
147.08054	5.6
147.11723	16.9
149.05948	2.2
149.09634	6.8
153.09073	2.0
153.12740	2.5
155.08527	3.1
157.06497	1.6
157.10141	10.7
159.08150	1.5
159.11658	2.6
161.06017	1.8
161.09543	2.0
161.13290	1.4
163.03922	2.5
163.11182	8.4
165.12778	6.4
167.08488	1.6
171.07993	2.2
171.11653	1.8
173.04482	5.7
173.05931	1.5
173.09660	2.4
175.11185	14.1
177.12805	1.8
181.12250	5.2
187.14767	1.6
189.11282	2.9
191.10698	6.4
193.12262	43.5
195.13701	1.7
209.11748	1.7
211.11305	3.5
211.13307	62.3
217.07523	1.8
227.12643	8.5
229.14404	2.1
249.14856	2.9
259.13510	1.7
267.15915	20.8
273.14844	3.7
277.14310	1.7
283.15390	5.0
285.16946	12.7
301.14426	4.4
315.70862	1.5
319.15482	2.3
337.16418	3.6
339.23282	2.4
351.18198	1.6
355.17548	4.7
357.24271	2.9
367.22739	3.8
375.25214	1.6
385.23666	6.3
393.18948	2.1
403.24570	3.6
411.20139	6.1
429.21313	2.6
441.26340	1.9
449.29489	1.5
459.27383	16.6
460.27774	1.7
477.28479	22.1
495.29575	14.7
585.30542	3.8
603.31213	2.6
621.32813	12.1
639.33862	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
55.01855	2.0
55.24979	0.6
56.50937	0.6
57.15405	0.6
59.81857	0.7
65.03916	0.8
67.05491	2.2
68.01404	0.9
69.46806	4.4
79.05509	3.3
80.05014	1.5
80.44468	0.6
82.06606	0.7
85.02888	1.2
91.05470	0.7
93.05765	2.0
94.06571	6.5
95.04945	1.9
96.08146	0.9
98.06050	0.8
98.20745	1.0
106.06538	2.1
107.04932	2.8
108.04456	2.3
108.08092	1.9
110.06024	2.5
112.07621	0.7
122.06054	8.1
122.09686	0.8
123.06800	1.9
124.04005	0.8
124.07605	8.5
134.06052	5.0
136.03906	2.6
136.07544	0.9
137.02319	2.5
137.05931	0.8
138.09145	10.6
140.07019	0.7
147.09184	0.8
148.07532	0.6
150.05524	19.8
152.07079	9.7
160.07632	1.1
162.05542	0.8
163.08748	0.9
164.07074	1.9
164.10739	1.2
172.07634	1.1
174.09129	2.1
175.08711	3.7
176.07047	1.8
176.09409	0.8
177.06601	2.7
178.05003	16.7
186.05499	1.5
187.12274	0.7
188.07069	1.3
189.10242	3.1
191.08205	4.3
192.06624	1.1
192.10220	1.1
194.51291	0.7
196.06082	7.7
199.08759	1.3
200.07091	2.1
200.09404	0.9
201.06548	2.2
201.10306	1.2
201.13899	2.0
202.07117	0.8
202.08701	2.5
203.08176	38.5
204.06584	16.0
204.08446	1.6
205.09785	1.2
213.10327	1.9
215.08188	1.9
215.11836	2.9
216.12463	0.7
217.09744	16.9
218.08086	1.0
227.08163	1.5
228.06567	1.2
229.06145	6.5
229.09644	0.9
229.13390	2.7
230.08243	1.3
231.07771	0.8
231.11304	3.0
233.09265	1.4
234.10025	6.5
235.10796	21.8
241.09650	1.7
243.07648	2.4
243.11337	3.1
243.14951	1.3
245.09245	32.3
245.12950	2.9
246.07600	6.0
246.09746	0.8
246.13661	1.2
247.10852	2.4
247.14349	1.2
248.09239	1.1
257.12866	6.7
258.11411	0.7
259.10803	3.8
261.08804	2.2
261.12378	9.8
263.10303	45.6
264.10754	1.2
269.09271	1.4
269.12869	0.9
271.07123	3.5
271.10776	1.4
272.09222	1.0
274.13150	12.4
275.13928	41.5
276.14429	1.0
279.09686	0.8
287.10275	13.6
289.08459	1.4
289.11871	4.5
301.11975	2.9
303.04974	1.1
305.11340	100.0
306.11832	1.7
307.12997	4.0
314.14990	1.7
322.15289	0.9
331.09280	1.2
338.15439	0.7
339.16928	1.8
352.20447	1.1
362.18661	0.9
363.16962	0.9
364.16580	1.1
378.18497	0.7
380.16522	0.7
380.19955	5.0
381.18137	3.0
398.20880	6.5
406.17792	1.6
408.19223	4.6
409.17584	3.5
424.18707	2.0
426.20270	88.6
427.20294	2.5
434.17047	0.9
444.21356	19.4
452.18198	9.7
470.19232	8.6
482.15646	1.3
585.23553	1.5
593.26746	1.0
603.24469	9.9
621.25543	23.6
622.26013	1.3
639.27026	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	637.4828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.4
55.05518	22.4
57.03434	7.6
57.07077	6.0
65.03942	5.8
65.37236	2.7
67.05508	80.5
69.07076	27.0
69.88493	15.1
71.08640	3.9
79.05498	54.7
81.07060	87.1
83.08615	11.9
85.06544	4.8
91.04939	1.9
91.05482	61.6
93.07052	61.1
95.04975	5.7
95.08613	67.4
97.06548	7.9
97.10173	5.0
98.20789	3.1
101.28360	3.0
105.07033	50.1
107.08595	35.8
109.10161	29.9
109.29134	2.9
111.08087	3.4
111.11734	3.2
115.05460	4.8
116.06293	3.0
117.07037	37.6
119.08584	41.3
121.10146	26.3
123.11726	17.9
125.09599	4.2
128.06219	6.5
129.07039	22.5
130.79262	2.8
131.08580	57.0
133.10107	24.3
135.08067	3.2
135.11684	23.1
141.07005	9.5
142.07864	4.2
143.08595	18.0
144.09445	3.1
145.10147	42.7
147.11681	20.1
149.09653	4.5
149.13318	12.2
155.08580	12.5
157.10156	21.4
159.11697	31.2
161.13261	17.5
163.14888	7.7
169.10153	16.8
171.11754	25.9
173.13281	20.5
175.11182	3.1
175.14854	12.6
181.10118	6.1
183.11682	16.4
185.13243	21.1
187.14851	20.1
189.16391	6.3
189.66928	2.9
195.11710	7.6
197.13290	9.4
199.14854	11.2
201.16414	26.0
209.13251	5.5
211.14914	6.2
213.16423	9.3
215.14359	3.1
215.18010	5.0
217.19530	2.8
223.14825	5.8
225.16417	9.3
227.17938	3.3
237.16464	3.8
239.17949	3.8
241.15819	4.4
241.19655	7.2
243.21121	6.4
249.52350	2.9
255.21201	5.5
257.22733	5.1
259.20648	3.2
261.22220	6.1
262.35281	2.9
265.19608	7.4
267.21100	25.8
283.20630	9.9
285.22141	41.6
333.24600	4.8
335.25842	38.7
337.27676	7.4
359.25906	8.8
404.16049	2.9
527.42719	3.4
545.43640	12.1
591.45978	2.8
607.33838	3.0
619.47064	10.4
637.48285	100.0
638.49249	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	13.8
55.01871	9.7
55.05513	29.0
57.03442	17.2
65.03943	6.2
66.69478	2.3
67.05511	94.1
69.03444	26.2
69.07079	26.3
69.59858	13.2
71.04981	10.1
73.02927	3.6
77.23609	2.0
78.63503	2.2
79.05502	98.6
81.03427	46.7
81.06575	5.0
81.07060	100.0
83.05002	25.9
83.08620	16.3
85.02909	17.1
85.06531	7.3
91.05491	83.1
93.06468	4.9
93.07057	99.8
95.04980	32.7
95.08048	3.1
95.08617	36.2
97.02900	13.9
97.06550	17.4
97.10171	5.3
98.20801	4.2
99.04444	8.3
103.05405	2.9
105.04552	2.7
105.07042	51.5
107.04965	13.8
107.08607	43.3
109.02874	9.3
109.06511	9.2
109.10156	8.1
111.04436	4.3
111.08083	6.7
115.05478	5.1
117.07044	23.1
119.08606	27.9
121.06492	4.9
121.10165	21.6
123.04429	2.4
123.08056	7.8
127.03907	8.1
128.06229	6.6
129.05504	4.6
129.07010	27.9
131.05014	2.5
131.08603	20.0
133.06519	5.3
133.10150	19.6
133.55829	2.6
135.08122	3.7
135.11708	8.5
137.09642	3.5
139.11201	2.8
141.06979	3.9
143.08606	14.4
144.93164	2.5
145.06491	8.2
145.10092	11.9
147.08028	3.8
147.11688	31.7
149.09601	2.5
149.13266	28.5
151.11107	2.6
155.08638	5.6
157.10188	5.6
159.08043	7.6
159.11717	20.3
161.09544	3.9
161.13257	10.2
169.10164	2.6
171.08014	6.4
171.11736	21.9
173.04449	8.4
173.13383	4.2
175.11235	2.7
177.12741	9.0
181.10127	2.8
183.11708	2.8
189.12770	8.7
195.13867	10.9
207.13844	23.0
213.16437	2.9
223.14769	2.9
225.14867	3.8
233.15332	3.3
241.16000	5.6
257.15311	3.0
259.16980	4.6
267.15979	4.1
269.15253	6.2
269.17630	39.7
271.16983	2.3
281.17499	33.1
287.16373	13.9
305.17542	3.0
339.18091	2.5
351.17795	2.6
361.20029	4.5
381.74136	2.6
413.21933	12.0
425.21576	6.5
439.87616	2.8
475.30603	95.2
476.30823	4.5
489.32208	5.2
517.31537	3.6
555.33179	5.5
619.34595	19.4
637.35638	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	637.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	5.5
58.95548	2.4
60.54740	2.2
63.72001	2.0
67.05509	7.0
70.69519	5.5
79.05494	2.6
91.05502	5.9
93.07040	8.4
94.06612	12.9
95.04948	3.4
96.04496	4.8
98.06075	4.0
101.58639	1.8
107.08265	2.1
108.08121	14.3
109.21648	2.1
114.39227	2.0
119.04935	6.4
120.08135	2.3
121.06496	2.4
122.06052	39.2
122.09624	3.4
123.06879	2.3
123.08057	2.1
124.07579	3.5
136.07584	40.2
138.09160	29.4
140.07062	5.9
146.09679	2.2
147.04422	3.4
150.05537	2.5
158.06055	2.8
160.07613	4.8
162.05487	6.3
163.08636	2.1
164.07086	100.0
164.10782	4.4
172.07610	6.4
174.09164	13.9
174.96956	1.8
175.08661	8.7
176.07095	2.3
177.06584	9.0
181.09743	27.2
186.05565	4.0
187.08627	3.4
188.07101	7.1
188.10745	3.1
189.10201	3.4
191.08186	26.9
192.10120	2.5
198.09427	2.4
200.07077	6.1
201.06580	7.3
202.06999	3.2
202.08789	22.9
203.04488	3.0
203.08165	55.8
204.06593	28.1
205.09703	3.7
213.10300	4.6
215.08159	6.3
215.11855	4.8
216.10458	2.5
217.09749	38.3
218.08208	3.2
219.11255	3.9
220.09604	2.9
227.08182	7.0
228.06564	2.6
228.08675	2.3
229.06180	22.8
229.13402	3.0
230.08203	14.5
231.07619	5.2
231.11319	7.3
233.09242	4.6
235.10815	7.4
240.05331	2.0
241.09781	6.8
242.10529	3.9
243.07713	10.2
243.11282	6.1
244.09729	4.1
245.09230	65.7
245.12874	4.7
246.07635	11.6
247.10812	4.8
248.09203	8.0
257.09186	6.4
257.12848	8.5
259.10803	14.9
261.08704	22.6
261.12338	4.2
262.10709	3.0
263.10278	69.4
265.11884	2.3
269.09268	4.8
271.07227	13.6
271.10410	2.0
272.09210	6.6
273.12296	3.0
274.13104	4.9
275.13876	15.2
277.11804	4.4
285.08878	4.0
285.12234	4.8
287.10269	44.2
289.08380	5.0
289.11798	6.1
290.10126	4.1
299.13873	2.6
301.11853	42.9
305.11353	93.8
306.12006	2.2
306.15939	3.4
307.12927	19.1
313.08237	9.0
315.09778	5.0
318.16299	2.6
319.12894	5.5
322.15298	5.1
326.15060	2.8
331.09222	6.8
333.10831	7.8
339.17108	2.6
340.12775	3.0
348.17038	3.0
350.14755	2.7
352.16495	3.4
364.16574	4.6
366.18161	12.4
378.18121	8.5
380.19922	3.0
381.17865	4.3
384.19196	2.2
398.16913	7.7
398.21387	3.8
406.17795	13.8
408.19080	6.8
420.19177	11.1
421.19788	2.5
424.18939	10.0
426.20554	58.8
434.16983	4.7
438.20251	10.5
441.23227	2.2
444.21292	56.5
450.16745	17.9
452.18253	59.1
453.18289	2.5
468.17529	21.6
470.19196	35.7
482.19205	7.4
543.25769	5.8
571.25195	11.4
573.27252	3.0
589.26587	90.1
590.26471	7.8
591.27972	2.5
601.26172	3.6
607.27637	40.1
608.27747	2.6
619.27588	17.4
655.71600	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	637.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	4.5
63.60865	2.2
67.05499	7.1
69.54904	16.0
75.70924	2.3
91.05509	6.3
93.07038	3.9
94.06575	7.1
98.21442	4.5
108.08110	6.7
110.06030	3.5
119.04961	3.5
122.06045	30.5
124.07587	5.0
136.07599	25.8
138.09146	27.4
140.07057	4.7
160.07671	3.9
162.05510	2.9
164.07063	65.1
164.08374	3.7
164.10739	3.3
172.07649	2.6
174.09149	13.4
176.07088	3.8
177.06551	7.1
181.09753	16.0
188.07146	3.5
191.08186	18.8
192.10178	5.9
200.07170	3.7
200.09428	2.9
201.06638	6.7
202.08827	15.3
203.08167	40.2
204.06583	23.8
213.10229	3.9
215.08163	4.1
217.09755	25.0
220.09709	3.5
227.08243	2.8
229.06136	16.0
230.08182	11.7
231.07663	3.8
233.09148	3.4
235.10774	4.1
241.09680	3.9
243.07681	4.3
243.11458	5.8
245.09218	46.5
245.12975	4.0
246.07622	6.3
247.10861	3.5
248.09270	6.4
257.09229	6.9
257.13089	2.7
259.10803	8.5
261.08713	27.8
263.10278	47.1
269.09268	2.7
271.07074	9.8
272.09100	5.3
275.13992	7.9
285.08670	6.3
285.12442	4.1
287.10226	33.2
289.08258	4.7
289.11710	3.9
299.13791	3.9
301.11844	40.1
305.11331	67.7
307.12833	15.6
313.08072	4.7
315.09680	5.1
319.12991	5.8
319.16660	2.8
322.15503	3.5
333.10788	6.7
366.18085	8.2
378.18085	3.2
398.17166	7.5
406.17657	8.6
408.19443	5.1
420.19080	8.3
424.18741	6.5
426.20416	40.3
434.17065	6.7
438.20114	8.2
444.21384	37.7
450.16675	18.0
452.18204	53.2
468.17542	18.4
470.19159	35.2
482.19220	5.1
543.26141	5.0
571.25372	10.0
573.27380	2.9
589.26587	100.0
590.26440	5.2
601.26794	3.1
607.18176	4.1
607.27576	42.2
619.27612	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	637.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	6.8
56.22776	3.0
57.73577	2.8
67.05518	6.6
69.23538	30.0
69.23872	6.5
71.02502	3.5
91.05492	7.9
93.07037	9.8
94.06570	10.3
96.04525	3.7
98.21516	6.1
108.08130	14.3
119.04950	4.1
121.06551	3.4
122.06043	36.2
123.06843	4.5
124.07617	6.3
134.06070	4.2
136.07584	44.4
138.09137	34.0
146.05960	3.0
147.04416	6.5
150.05542	3.7
162.05502	8.8
164.07082	100.0
166.75818	2.8
172.07571	7.0
174.09192	12.5
175.08664	6.9
176.07089	4.0
177.06615	13.1
181.09760	32.2
182.08170	4.2
188.07074	7.7
188.10703	3.4
189.10268	6.0
191.08147	29.3
192.10239	4.0
200.07156	5.6
201.06569	8.8
202.08667	19.6
203.04570	4.6
203.08173	55.2
204.06587	23.5
205.00478	3.9
205.09813	3.8
206.08119	4.3
213.10254	5.5
215.08257	6.4
217.09695	32.0
219.11249	3.6
227.08203	5.0
228.06526	4.6
229.06053	21.4
230.08162	21.2
231.07622	3.8
231.11235	4.7
235.08661	3.8
235.10786	11.4
241.09862	6.0
242.08287	2.7
243.07651	8.2
243.11282	4.8
244.09685	4.7
245.09229	65.5
245.12875	7.2
246.07599	10.5
247.10555	4.3
248.09222	12.6
257.09323	3.4
257.12802	5.3
259.10693	14.6
261.08658	19.5
261.12558	3.9
263.10251	75.9
269.09222	8.4
271.07196	16.3
271.10608	2.9
272.09183	9.1
273.11966	2.9
275.13983	12.9
276.11716	3.3
277.11890	8.2
285.08917	5.5
285.12265	5.2
287.10312	36.9
289.08316	6.5
289.11523	6.2
291.09753	4.8
299.13953	4.4
301.11810	32.1
305.11310	97.2
307.12872	21.5
313.08212	6.3
315.09912	5.3
319.12982	6.8
322.15402	6.1
329.11502	3.5
331.09216	5.9
333.10770	6.6
339.17029	3.4
352.16614	3.9
366.18015	16.6
378.17960	9.9
381.17899	5.9
398.16968	8.0
404.15958	3.1
406.17590	10.6
408.19144	6.5
420.18964	8.4
424.18768	13.4
426.20560	43.8
434.16989	5.6
438.20090	9.8
444.21387	51.1
450.16391	15.9
452.18170	44.7
468.17630	35.8
470.19153	47.2
474.22018	5.8
482.19052	8.9
543.25677	4.6
547.23987	2.9
571.25458	8.2
573.26880	3.7
589.26556	92.3
607.27606	60.1
619.27301	12.0
637.28448	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	636.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08879	1.1
50.49929	1.2
50.81190	1.0
51.29320	1.3
55.05492	1.3
57.07076	4.9
67.05496	2.1
70.06590	7.1
70.84363	1.1
71.01639	2.5
71.08640	2.4
77.83478	1.2
79.05514	1.3
81.03413	1.5
81.07053	2.5
88.07644	8.0
91.05468	1.7
93.07024	2.8
93.48765	1.2
95.08591	3.3
102.09177	2.2
105.07037	1.9
106.08647	6.1
112.25679	1.3
122.09657	2.1
123.08050	1.4
130.78874	1.1
135.11673	1.3
140.10672	2.4
171.11644	1.4
201.12910	1.3
204.49464	1.2
256.26233	3.8
274.27426	100.0
274.53638	1.3
438.35760	2.0
456.36942	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29795	1.5
53.03945	7.6
55.01873	5.3
55.05294	2.0
55.05515	21.3
57.03445	21.3
57.07081	8.8
59.32365	1.3
61.02927	59.8
67.05511	10.1
69.03432	29.8
69.07070	31.2
71.01341	2.5
71.04996	4.5
71.08628	7.8
71.56902	2.1
73.02924	20.0
75.04487	3.4
79.05499	8.7
81.03417	21.7
81.07054	12.3
83.04966	5.0
83.08625	28.9
85.02909	77.1
85.10181	4.0
87.04496	4.2
91.03962	43.6
91.05479	5.1
91.35790	1.6
91.73562	1.9
93.07047	9.9
95.04961	2.3
95.08614	10.2
97.02897	65.5
97.06506	2.5
97.10162	18.9
99.04456	12.0
100.13247	1.6
101.02383	7.9
101.03187	1.6
103.03959	6.0
105.07039	3.4
106.07378	1.6
107.08586	7.0
109.02905	13.0
109.10146	2.6
111.04463	2.1
111.11745	8.1
115.03937	6.1
115.57944	1.8
117.05486	2.6
117.07034	1.9
119.04957	1.9
119.08596	5.1
121.10152	10.2
125.13284	1.9
127.02985	1.7
127.03909	32.3
129.05496	7.9
129.06972	1.7
131.08572	3.4
133.10060	2.4
133.54633	1.7
135.11699	5.2
136.06229	2.0
145.04950	17.0
145.10107	2.8
147.04404	6.7
147.06511	1.9
159.06540	2.9
161.13287	2.4
163.05981	3.9
163.14899	2.4
183.06508	12.4
193.11389	1.8
201.07552	9.9
217.05016	4.8
219.08539	2.1
219.21115	6.6
237.22115	21.5
255.23195	2.1
283.80161	1.6
290.22025	2.0
311.25812	100.0
312.25912	1.9
329.13736	3.0
339.25397	4.5
353.26956	4.8
376.38113	2.0
381.26379	2.2
419.27917	1.9
437.29193	3.5
448.60873	1.7
455.30203	13.6
473.30951	6.2
539.50012	1.8
635.35486	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	19.4
54.16333	1.7
55.01874	7.0
55.05515	29.5
57.03434	10.4
57.10385	2.0
59.04981	1.8
65.03941	4.5
67.05505	60.7
69.03427	20.1
69.07068	13.8
71.04998	9.0
71.56879	3.0
79.05492	74.8
81.03419	100.0
81.06575	3.0
81.07056	55.4
83.04980	28.0
83.08633	18.9
85.02904	19.6
85.06551	5.4
91.05485	76.3
93.07049	54.3
95.04364	2.8
95.04971	34.0
95.08605	29.9
97.02902	19.0
97.06540	7.9
97.10181	5.8
99.04447	6.5
99.08073	2.7
103.05476	3.0
105.07032	48.3
107.04942	12.5
107.08600	24.9
109.02893	15.6
109.06510	7.4
109.10161	6.1
111.04445	12.7
111.08092	6.9
113.06017	2.8
115.05482	3.8
117.07042	14.9
118.79308	1.7
118.95867	2.4
119.08582	36.3
119.09354	3.7
121.06509	6.8
121.10163	14.6
122.44335	1.6
123.04417	2.4
123.08073	6.3
123.11726	3.2
125.09650	3.6
127.03935	12.6
127.07566	2.4
128.06258	5.0
129.05472	2.1
129.06998	22.9
131.04984	3.4
131.08588	15.8
133.06534	5.1
133.10146	13.3
135.08066	4.4
135.11710	6.0
135.63217	1.9
141.06992	2.8
142.07837	3.7
143.08562	9.1
145.06548	4.5
145.10118	12.7
147.08090	6.0
147.11700	35.9
149.09615	5.5
155.08467	2.0
157.06529	2.6
157.10109	10.4
159.08032	2.3
159.11678	2.0
161.09668	2.1
161.13243	10.0
163.07620	1.7
163.11200	6.4
165.12753	4.1
167.08691	2.4
169.10158	2.2
171.08107	2.6
171.11725	19.3
173.04448	4.1
175.11174	7.3
181.12202	4.0
189.11340	2.1
189.12764	10.4
191.10674	4.8
193.12248	23.7
207.13786	21.5
211.13318	36.6
227.12788	6.3
249.14864	2.2
267.15793	13.2
269.15295	3.2
281.17456	21.4
285.16931	3.2
287.16428	3.7
326.46588	2.0
337.16605	4.0
355.17389	4.8
411.20154	6.0
429.98511	1.9
452.83673	1.8
464.99567	1.8
473.28992	13.5
491.30054	9.6
553.31787	2.4
571.33112	2.8
599.32141	2.6
617.33044	6.8
635.34241	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	635.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
62.94968	0.8
67.05516	1.2
69.36663	5.8
78.63148	0.8
85.02892	0.8
86.74168	0.7
91.05477	1.5
93.07042	1.0
94.06575	1.9
98.20805	1.5
106.06574	2.6
107.07344	11.6
108.08100	1.3
120.08100	1.9
122.06013	2.5
122.09676	100.0
123.10003	0.8
124.07578	1.2
136.07588	3.6
138.09146	4.7
142.28421	0.6
146.09593	0.9
148.11247	1.8
150.05609	0.8
150.09193	1.6
151.06262	1.1
160.07555	0.9
163.48779	0.7
164.07088	3.7
166.08646	1.9
174.09160	1.1
176.10739	5.3
177.06558	0.8
181.09764	3.0
186.09206	0.9
191.08133	1.6
202.07204	1.2
202.08830	1.3
203.08191	1.4
213.10303	0.9
215.08154	1.3
217.09767	3.3
220.09695	3.9
225.10257	0.7
230.08183	1.9
235.10782	7.2
242.11923	0.7
243.11418	1.3
243.15042	1.0
244.13327	0.8
245.09274	1.6
257.09366	1.0
259.10867	1.8
259.14417	1.0
261.08728	16.0
271.10812	0.9
272.09265	1.7
272.12656	0.7
273.15887	0.9
275.10266	1.5
275.76935	0.6
287.10449	2.5
305.08130	1.2
305.11444	3.8
313.08286	0.8
335.12869	1.5
351.12872	0.8
362.11581	0.8
364.12943	0.9
379.12958	2.4
380.16165	1.0
390.18176	1.5
398.17041	4.3
406.14114	0.9
407.12296	3.5
416.16333	0.9
424.14789	7.7
436.18640	8.8
452.17886	1.2
454.19598	2.5
466.15973	8.0
468.17755	1.5
470.19247	4.4
472.20789	2.3
559.25677	0.8
573.27197	5.1
587.24835	2.1
590.24988	1.8
591.28021	2.3
599.25214	2.6
605.26007	3.9
607.27618	0.8
609.87122	0.7
617.26294	2.9
628.19373	0.9
635.27032	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69772	0.9
53.03946	3.9
55.01874	3.9
55.55605	1.1
57.03438	2.4
61.02935	2.2
67.05502	2.4
68.99797	2.1
69.03429	13.5
70.03764	2.5
71.05020	2.5
73.02924	2.2
73.95242	1.0
79.05487	4.9
80.05013	1.9
81.03425	12.5
82.03745	3.0
82.06576	1.0
84.02974	1.3
85.02910	32.3
86.03233	6.2
87.00839	15.4
88.01187	2.5
89.94355	1.0
91.05484	7.3
93.07042	7.6
94.06565	9.6
95.04996	1.4
95.07380	6.3
96.08136	13.9
97.02890	17.5
97.06509	1.8
98.03227	3.0
98.06027	2.4
98.21564	1.9
99.04452	5.1
103.05477	2.8
105.01877	15.1
106.06575	6.2
107.04955	5.2
107.07338	2.4
108.04468	1.2
108.05254	1.2
108.08129	11.4
109.02885	15.1
110.03207	3.4
110.09693	26.2
115.03928	1.2
117.01868	1.5
117.05723	1.2
117.07055	1.1
120.08112	27.2
121.06516	14.0
121.08921	2.1
122.06014	5.6
122.06859	4.8
122.09663	14.1
123.06802	1.6
124.07587	3.7
127.03916	26.1
128.04242	6.3
133.06503	2.1
134.06007	4.6
136.07538	6.8
138.09148	100.0
139.09575	1.2
140.07057	1.4
140.10788	1.6
145.04948	8.2
145.06488	2.0
146.05229	1.7
146.09653	2.7
147.04442	1.3
147.08017	1.9
148.04727	1.2
148.07579	1.3
150.05594	1.2
150.09151	2.3
159.02878	5.4
160.03300	1.5
160.07503	1.3
162.05504	27.6
162.06763	2.2
163.07475	1.3
164.07059	14.2
166.08685	5.5
169.04898	1.2
174.09164	6.8
175.07356	1.2
177.06595	4.4
181.09758	6.3
189.03960	2.4
191.08168	8.3
192.10226	1.4
200.07018	1.6
202.08752	5.3
203.08151	12.8
204.06570	5.6
213.03958	2.3
217.09755	7.7
218.08131	1.0
219.11261	1.4
220.09706	4.4
229.06255	1.4
229.08620	3.3
229.13274	1.1
230.08295	5.0
231.05095	5.4
232.05336	2.0
232.11841	1.1
235.10834	4.2
241.09712	1.2
243.07681	1.5
244.09711	2.0
245.09181	12.4
246.07504	1.9
248.09299	3.4
255.14760	1.1
257.09045	2.7
257.16568	1.4
259.10864	1.9
261.08710	20.7
263.10321	14.3
271.07077	2.1
271.10617	1.5
272.09146	1.9
273.06122	3.7
273.08908	1.3
274.06351	3.5
274.13184	1.4
275.13873	5.2
285.08701	2.6
285.12241	1.7
287.10269	8.5
289.11841	1.8
299.09961	1.4
305.11288	23.2
307.12939	7.4
313.08078	1.5
319.16394	1.3
331.09198	2.4
333.10922	2.4
381.18005	2.1
392.16275	1.2
398.16803	6.0
406.17465	2.2
408.19211	2.1
426.20300	13.3
434.17044	2.3
436.18857	2.1
444.21292	7.5
452.18008	7.1
454.19705	5.9
468.17804	4.0
470.19171	16.0
472.20569	4.1
480.17575	8.1
498.18649	2.1
525.24951	1.7
543.25903	2.3
571.25366	2.8
587.25116	8.5
589.26660	11.3
599.24768	2.2
605.25812	3.9
607.27417	4.0
617.26123	10.6
635.27130	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	635.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23225	1.3
55.01886	1.3
66.69485	1.3
67.05519	5.7
69.03434	1.4
69.07040	1.6
69.82758	6.4
70.85061	1.1
77.98443	1.2
79.05495	3.6
80.11639	1.3
81.07026	1.9
91.05489	2.7
93.07101	2.3
94.06568	1.7
95.04956	2.5
95.08595	3.0
105.07019	2.2
106.06555	5.0
107.07348	5.8
107.08603	1.7
108.08138	1.2
109.10159	3.1
110.09682	1.4
119.08575	2.0
120.08094	2.8
122.06020	2.8
122.09676	44.9
123.11713	1.5
124.03947	5.2
134.06013	2.7
136.07568	3.8
137.09613	2.7
138.09117	11.7
140.10715	4.5
150.05453	1.3
150.09129	2.1
159.09209	2.0
161.07039	1.1
162.05516	24.7
164.07056	5.4
165.09117	26.4
174.09131	1.9
176.10667	2.2
187.08678	1.6
189.10301	1.5
201.06659	1.6
201.10306	1.3
203.08153	10.1
204.06575	4.7
205.09801	1.3
215.08124	3.4
215.11818	1.6
217.09740	6.9
227.08278	2.0
229.09760	1.9
231.11234	2.0
235.10796	5.3
241.13515	1.2
243.11253	1.4
245.09248	7.2
255.07556	1.4
257.09052	1.8
259.10867	3.9
259.13721	1.2
261.08676	1.4
261.12344	1.8
263.07684	1.6
263.10147	11.1
275.13910	3.9
277.09714	1.5
277.13239	1.7
279.11804	1.1
279.14993	1.5
287.10309	5.8
290.10703	2.0
291.11301	4.3
292.12125	1.4
293.09314	1.5
293.12732	3.2
299.10172	1.5
301.12003	2.3
305.11307	29.2
306.10052	4.6
307.10614	2.5
307.14371	3.3
308.10239	1.8
308.13895	2.4
312.09836	2.4
319.10663	9.1
320.11014	3.4
321.11978	4.1
323.13678	3.4
331.09872	1.7
333.12210	8.3
334.12537	1.8
335.13837	3.8
336.09851	2.3
336.13431	5.8
338.15030	2.5
347.10062	6.2
350.11334	2.5
351.12531	17.0
352.12772	3.0
361.11865	6.4
362.11490	4.1
363.12799	2.3
364.12875	17.6
364.16953	1.6
366.14490	5.9
378.14667	7.4
379.12881	28.1
381.14377	3.0
389.11127	3.0
391.11609	3.8
396.15976	1.3
406.13931	17.8
407.12402	37.2
423.14197	5.1
424.14978	100.0
425.16110	6.0
426.20517	10.8
436.34564	1.6
437.34769	2.3
442.19601	6.0
444.21185	4.6
448.14896	2.9
450.20557	2.4
454.19849	2.8
454.35098	2.7
457.22168	4.8
466.16110	95.5
467.16061	2.0
468.17557	7.6
472.20920	6.5
526.02460	1.3
559.25409	5.3
563.23682	1.4
569.23633	2.1
573.27441	1.9
587.25012	20.2
589.26532	2.0
591.29041	1.6
605.17444	1.7
605.26221	24.7
607.27283	4.2
617.25494	2.3
628.93011	1.4
635.27094	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	632.4435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.8
54.29021	4.4
55.01855	7.9
55.05523	32.0
57.07073	9.5
62.92855	4.3
65.84171	5.4
67.05494	43.6
69.03430	16.7
69.07050	19.4
69.30849	34.5
69.31258	10.3
71.04988	14.2
73.06539	7.9
79.05497	38.6
81.07069	49.8
83.04973	24.3
83.08624	48.4
85.06538	15.2
91.05482	58.3
93.07046	69.5
95.04982	30.3
95.08611	45.6
97.06555	34.7
98.21507	9.8
105.07037	100.0
106.07844	6.6
107.04929	9.2
107.08604	75.3
109.06511	15.5
109.10165	30.6
111.08086	13.9
113.09634	10.8
115.05422	10.6
117.07045	28.1
117.07717	5.6
119.04950	5.2
119.08592	73.5
121.06493	18.5
121.10146	52.5
123.08049	18.3
125.09631	32.3
125.24649	5.2
128.06236	13.8
129.07018	22.9
130.07784	15.0
131.08572	40.2
132.09242	7.0
133.06487	7.3
133.10139	53.6
135.08017	15.2
135.11720	14.2
137.09605	11.9
139.11174	20.1
141.06960	11.7
142.07814	32.5
143.08556	44.0
143.10674	41.8
144.09314	17.8
145.06465	23.0
145.10129	74.2
147.08044	17.3
147.11702	15.7
149.09639	13.5
153.07021	7.8
155.08546	22.3
155.10652	16.4
156.09335	20.9
157.10129	72.6
158.10898	7.2
159.08070	23.2
159.11691	36.9
160.08841	70.0
161.09622	16.0
163.11185	24.7
164.79742	5.4
165.07005	10.6
167.08533	16.2
167.10677	17.2
169.10156	43.1
170.10910	8.7
171.11673	33.1
173.09633	13.9
173.13203	16.8
175.11101	6.7
179.08527	9.8
179.14339	5.3
179.60728	4.5
181.10170	23.5
181.12228	33.5
182.10902	16.8
183.11711	25.9
185.09644	4.5
185.11713	41.3
185.13274	18.5
186.13896	5.9
187.14810	6.3
192.09372	8.3
193.10123	19.3
194.10863	7.6
195.11723	29.6
196.12343	7.5
197.11687	7.4
197.13297	46.7
199.11115	11.5
199.14679	6.6
201.12706	5.9
203.14180	7.6
206.10919	9.6
207.11684	21.1
207.13623	5.4
208.12544	10.0
209.13286	30.5
211.14845	19.9
213.12773	10.5
215.14371	35.3
218.16724	8.3
219.11717	6.7
220.12575	6.2
221.13179	15.7
221.15359	27.1
223.14833	19.4
225.12709	5.7
225.16200	5.9
233.13431	9.8
233.15376	28.8
235.14757	13.2
237.16422	9.4
239.16325	5.6
245.13304	8.4
247.14690	7.2
247.16978	11.3
249.16341	6.8
251.18210	6.6
253.15662	6.4
255.17485	27.6
259.17050	5.7
263.18011	6.4
265.19492	9.3
267.17477	5.0
269.18939	5.3
281.19092	7.3
285.18576	8.8
286.19296	18.3
299.20129	8.5
307.20349	6.3
311.20016	7.6
312.20679	7.4
482.44437	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	631.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	1.2
51.02365	1.6
53.03951	13.3
55.01871	8.3
55.05518	25.7
57.03451	8.0
57.07060	1.4
65.03931	6.8
67.05510	74.9
68.77702	1.3
69.03436	12.3
69.07073	17.0
70.06612	1.5
70.23914	1.4
71.04987	8.5
71.57003	1.5
73.02916	1.3
73.06560	2.2
77.03924	2.6
79.05500	100.0
81.03425	49.5
81.03912	1.8
81.07064	65.8
83.04984	18.3
83.08619	9.6
85.02915	12.7
85.06552	3.9
91.05490	93.9
93.07052	77.3
95.04978	39.0
95.08618	39.3
97.02895	11.3
97.06528	9.4
97.10163	3.3
99.04473	4.4
99.08125	1.7
101.02399	1.6
103.05492	6.4
105.04536	2.6
105.07043	69.7
107.04964	20.6
107.08604	25.8
109.02889	5.6
109.06512	11.4
109.10184	7.3
111.04465	4.8
111.08098	4.6
115.05447	7.3
116.06268	1.6
117.07021	29.7
119.04947	4.1
119.08590	39.6
121.06531	15.2
121.10143	9.1
123.04452	5.1
123.07275	1.4
123.08096	7.9
123.11692	1.3
125.09702	1.6
127.03947	5.1
127.07528	1.8
128.06238	10.4
129.07013	38.2
131.04921	6.8
131.08591	21.9
133.06520	8.9
133.10130	15.8
135.04451	2.3
135.08051	3.8
135.11725	5.4
137.05969	10.5
137.09624	3.6
139.11235	1.6
141.06976	8.2
142.07794	3.9
143.08583	19.7
145.06502	13.0
145.10149	15.3
147.04457	2.0
147.08054	8.2
147.11697	39.2
149.02339	1.9
149.05992	3.7
149.09630	2.4
149.13254	2.8
153.07001	2.7
155.06041	1.8
155.08577	7.4
156.09419	1.9
157.06531	7.9
157.10196	7.5
159.08113	7.6
159.11711	7.8
161.05981	2.8
161.09662	6.8
161.13266	14.1
163.11206	4.0
165.07066	2.4
167.08569	6.7
169.06535	2.1
169.10109	7.5
171.08105	8.9
171.11700	38.6
173.04504	4.7
173.09665	2.5
173.13309	4.6
175.07533	3.2
175.11230	2.7
175.14915	1.8
177.12778	2.0
179.08580	3.7
179.14291	3.2
180.09296	1.3
181.06607	2.0
181.10135	4.2
183.08041	3.3
183.11748	4.0
185.09683	5.5
185.13306	3.7
187.11226	4.7
189.12781	14.0
191.14177	1.5
193.04964	1.3
193.10155	1.8
195.08028	1.6
195.11726	2.9
197.09641	1.8
197.13304	2.5
199.07610	1.3
199.11279	2.2
201.12666	2.9
203.14337	1.7
205.10316	2.1
205.12210	2.2
205.15933	1.2
207.11882	2.9
207.13809	30.9
209.13290	3.2
213.12766	2.1
221.15321	2.2
223.14839	2.3
225.12810	1.8
225.14911	3.7
226.11192	2.2
227.14471	2.5
228.23227	1.7
229.23726	1.6
231.13835	3.0
237.12656	1.6
241.16029	4.4
243.13744	2.5
244.12230	1.4
245.15466	2.3
251.14308	5.3
255.14009	2.0
257.15427	2.4
259.17020	4.3
261.14886	5.1
263.16464	1.7
265.17966	1.6
269.15350	9.7
273.14944	2.2
279.16168	2.7
281.17490	28.4
287.16455	15.6
291.47925	1.3
297.14917	4.2
305.17432	1.9
309.17255	2.9
315.15909	8.5
325.18039	5.3
325.68262	3.7
326.18253	1.9
333.17044	7.4
343.19370	2.2
351.17984	6.2
361.20258	3.3
371.18585	1.5
379.09387	1.4
389.19614	4.6
407.20758	9.6
469.29532	2.1
487.30399	7.1
541.31427	2.7
567.33459	6.7
585.34387	2.2
595.32587	5.1
613.33612	11.4
631.34625	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	2.1
52.48317	1.7
53.03957	16.4
55.01870	7.9
55.05262	2.0
55.05514	23.4
57.03437	7.1
65.03948	7.6
67.05511	68.3
69.03439	12.6
69.07070	14.2
69.85326	9.1
71.01352	1.8
71.05003	9.0
77.03956	1.8
77.54990	1.8
79.05499	100.0
81.03428	50.8
81.07063	59.1
83.04993	17.1
83.08620	7.5
85.02895	12.1
85.06542	2.4
90.48560	1.9
91.05490	96.2
93.07053	75.8
95.04972	39.2
95.08616	36.9
97.02901	12.4
97.05975	1.6
97.06532	8.0
97.10174	4.7
98.21507	2.0
99.04457	3.6
103.05487	5.4
105.04527	2.4
105.07035	62.7
107.04960	20.5
107.08599	22.6
109.02898	8.3
109.06530	9.3
109.10183	4.9
111.04465	4.2
111.08080	3.2
115.05463	6.6
117.07024	28.0
119.04964	2.4
119.08590	37.8
121.06544	9.2
121.10142	9.7
123.04436	5.8
123.08096	9.8
127.03931	6.2
127.07536	1.7
128.06221	11.4
129.07016	36.0
129.07921	3.1
130.07823	2.6
131.04967	5.4
131.08551	20.5
133.06526	10.2
133.10132	16.5
135.04436	3.0
135.08058	6.1
135.11685	4.2
137.05978	2.5
137.09634	3.1
141.07005	8.6
143.08580	21.5
145.06509	13.6
145.10132	17.1
147.08028	8.7
147.11687	39.6
149.05986	4.0
149.09630	2.5
149.13359	2.8
153.07019	2.2
155.06059	1.8
155.08559	8.7
156.09361	2.8
157.06538	5.9
157.10179	5.7
159.08055	6.4
159.11745	4.9
161.09659	6.0
161.13272	15.8
163.07623	2.1
163.11198	3.9
167.08607	4.8
169.06596	1.7
169.10141	6.2
171.08054	6.6
171.11705	31.6
173.04482	4.1
173.09636	3.0
173.13243	3.2
177.12749	3.0
179.14331	3.5
181.10112	5.8
183.08263	2.1
183.11766	3.6
185.09645	4.1
185.13206	2.9
187.11211	7.8
189.12733	13.9
191.14360	1.9
195.08095	2.3
195.11697	2.6
197.13414	2.5
201.12614	3.1
207.13817	29.2
209.13191	2.4
213.12794	3.0
213.16383	1.8
221.13414	2.1
223.11386	2.0
223.14967	5.0
225.14925	4.3
227.14374	3.3
231.13805	2.6
241.16045	3.8
245.15411	3.1
251.14458	4.1
251.16969	1.9
259.13300	1.9
259.16876	3.0
261.14951	3.6
263.16534	1.8
265.18109	1.6
269.15359	12.6
279.16022	4.2
281.17545	28.9
287.16449	13.3
288.73978	1.9
297.14737	3.3
309.16983	6.3
315.15915	7.7
333.16971	6.2
343.19177	2.4
351.17767	4.8
361.20047	3.2
389.19678	3.6
399.91592	1.8
407.20731	11.7
487.30539	12.5
541.31781	2.7
567.33014	6.5
595.32568	5.3
613.33618	9.7
621.90985	2.4
631.34863	39.5
632.35327	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	629.2244
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
55.05519	0.9
60.99118	1.0
67.05496	2.3
69.07093	1.0
71.32206	1.0
79.05497	1.2
79.42896	0.8
81.07058	3.1
91.05483	1.1
93.07063	1.5
107.05006	0.9
107.08616	1.9
118.95313	1.0
119.08629	1.6
121.10137	1.8
124.75469	0.9
131.08580	1.5
157.10164	1.0
311.24463	1.0
384.12357	1.8
387.06329	1.0
396.12210	2.0
397.13126	2.5
399.14862	1.7
410.13760	4.1
411.14587	7.6
412.15375	5.4
413.16177	4.1
423.14822	2.1
423.90887	0.9
424.15738	2.1
425.11285	1.8
425.16235	17.2
426.16992	7.9
427.17868	2.8
428.18628	3.4
438.12817	2.6
439.13605	22.5
440.19073	8.6
441.19351	44.8
442.19681	2.9
452.14630	4.8
453.15402	24.7
454.16046	6.1
456.17853	2.2
467.17221	27.7
468.17868	22.4
469.18887	10.9
481.14630	8.8
482.15201	1.1
483.16364	1.3
484.21179	3.6
485.18527	3.4
495.16092	1.3
496.17215	13.6
497.17841	3.0
499.19589	1.2
500.20880	3.5
509.18234	1.5
512.20667	3.0
513.22089	4.5
523.19617	1.3
541.20898	45.9
542.21313	2.9
553.22015	1.1
569.20355	100.0
570.20844	5.7
572.19128	1.2
573.23773	2.2
597.19800	26.7
598.20001	2.3
601.23053	14.0
629.22375	70.0
630.22742	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	631.1368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90277	1.3
53.15355	1.5
56.96581	2.7
57.03461	1.4
69.03433	2.4
69.37955	11.1
79.05505	1.4
85.02905	2.8
89.03918	6.1
91.05495	7.1
97.02911	5.0
98.05310	1.5
101.00878	8.5
102.43463	1.5
103.02542	1.7
105.00313	1.7
107.04938	1.7
109.02878	2.1
116.98658	1.5
117.03377	5.2
119.01932	28.1
119.04939	15.7
127.02486	1.8
127.03942	2.7
131.01923	10.4
133.03458	2.2
133.06493	10.9
135.04443	7.6
136.04787	1.6
137.02934	3.2
143.01903	18.9
145.03581	13.3
147.04410	99.5
148.04758	4.0
152.02396	1.9
155.01894	14.8
157.03467	7.7
161.02965	22.5
161.05977	2.8
163.00972	2.0
163.03871	40.5
164.04272	4.3
167.01949	6.0
169.03482	4.5
171.05101	2.3
173.02972	26.3
175.04570	3.0
179.01973	3.5
185.02954	41.2
187.04544	5.9
191.03964	2.1
197.02977	16.3
199.04590	3.2
203.04042	13.1
205.03493	3.7
215.04079	6.7
221.05023	2.9
223.04572	9.7
227.04031	10.2
229.03485	2.7
229.05521	2.2
233.06737	2.8
237.06198	5.4
239.03867	2.0
241.05591	14.5
243.05200	1.8
245.05086	100.0
246.05135	3.2
247.04466	17.5
251.04033	1.9
255.07042	1.9
257.05090	4.8
258.51874	1.5
259.04587	4.2
261.03229	2.9
261.06100	23.7
263.03979	3.6
263.06375	8.9
265.05594	44.4
275.06039	10.0
279.07196	17.3
279.86893	1.6
281.05139	2.1
283.06824	7.5
289.07919	9.0
291.07153	3.3
293.07190	4.6
295.06671	2.6
301.05627	5.7
302.08844	2.2
303.07208	2.5
305.04413	2.5
305.07248	5.5
307.08698	5.3
317.05057	1.9
319.06516	1.8
323.06128	54.8
324.06583	2.3
335.06070	1.7
337.07678	4.2
341.07196	6.4
346.07693	2.2
349.07605	23.7
353.07037	8.6
363.09378	1.8
365.06644	8.1
367.08704	5.6
383.02954	1.6
383.08429	2.5
407.08438	9.1
425.09457	10.9
486.99515	1.7
511.04202	2.3
587.14423	3.0
630.86316	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
55.01855	0.9
55.05490	0.4
57.03436	2.8
57.53160	0.4
61.02927	3.1
65.03923	0.6
66.17927	0.4
68.99766	0.9
69.03432	3.6
70.03267	1.1
70.03675	0.8
71.05000	14.3
73.02900	1.1
81.03391	1.8
83.04955	0.4
85.02909	21.0
87.04463	0.6
91.03974	2.1
91.05453	0.8
91.50018	0.3
93.03364	1.5
95.04435	0.5
95.04971	5.6
97.02386	0.4
97.02897	4.5
99.04401	0.7
107.04925	0.8
109.02856	1.5
111.00779	1.0
111.03832	0.4
111.04444	4.2
119.04883	0.6
121.02876	3.5
121.06445	0.4
123.04440	24.6
127.03925	2.5
129.05499	2.7
135.04369	0.7
137.02354	14.4
137.03395	1.2
139.02940	0.7
139.03914	10.6
141.84116	0.4
145.02924	0.4
145.04945	1.1
147.04413	2.1
147.06509	0.4
149.02345	1.0
153.01822	4.5
155.96930	0.4
161.02350	0.7
163.03929	3.2
165.01862	2.8
165.05507	3.6
171.04422	0.4
173.05991	0.8
177.01826	0.5
178.99977	0.4
179.03366	0.9
181.04962	1.2
183.02853	1.3
183.04326	0.5
185.05943	0.5
187.04001	0.6
189.01825	0.5
191.03416	0.4
197.05946	0.5
201.05479	2.3
203.03340	1.2
205.01410	2.2
207.02869	0.7
213.05551	0.6
215.03426	0.5
217.01361	2.4
219.02908	0.6
219.06577	0.6
222.86826	0.4
225.05414	0.5
229.04980	5.0
231.02911	0.7
239.03325	0.7
241.04929	0.5
243.06470	0.7
247.05989	0.8
253.04933	1.5
254.23767	0.4
257.04474	4.2
269.04483	0.8
271.06055	1.1
273.03955	1.0
274.04654	0.8
281.04489	0.7
285.03983	2.5
287.05484	11.7
299.05472	1.4
302.04105	0.6
303.05005	100.0
304.05350	2.0
305.02771	0.6
313.03482	0.8
313.06851	0.6
315.04987	0.6
327.05038	0.9
329.02869	4.2
329.06607	4.0
331.04489	3.7
339.05023	0.7
345.06052	1.0
347.03979	5.8
353.06604	0.5
355.04517	6.1
356.05032	0.5
361.06992	0.7
365.06619	0.9
367.08148	0.4
373.05734	2.0
377.06506	1.0
395.07913	0.7
407.07620	17.9
413.08685	0.5
421.09012	0.8
423.07037	5.4
431.09256	0.4
447.07513	0.5
449.08640	8.6
465.08121	3.1
467.09778	82.2
468.10287	2.2
483.09247	43.5
484.09601	1.2
503.10999	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.8
55.01854	0.9
57.03424	2.1
61.02916	2.9
65.03953	1.3
69.03432	4.9
70.52501	2.7
71.05001	4.5
71.05314	0.7
73.02902	1.5
75.04477	2.5
81.03407	3.2
85.02425	1.2
85.02909	16.7
87.04444	0.9
91.03933	0.9
95.04987	6.1
97.02905	5.0
98.21358	1.0
99.04491	1.0
107.04896	0.7
109.02890	2.3
111.00792	1.2
111.04431	2.2
119.04955	0.8
121.02862	2.8
123.04440	29.7
123.40323	0.9
127.03911	3.1
137.02344	10.7
139.03897	2.6
145.04961	1.2
147.04442	2.4
149.02382	1.6
153.01836	5.4
163.03928	4.6
165.01825	3.2
165.05542	5.1
165.06691	0.8
183.02872	1.0
183.25661	0.8
191.03447	0.9
201.05536	1.3
205.01349	1.8
217.01245	1.6
229.04930	4.8
253.04947	1.7
257.04443	3.7
285.03925	2.7
287.05502	9.4
299.05426	1.5
303.05008	100.0
304.05432	3.8
313.03519	1.4
329.02902	2.7
329.06638	2.5
331.04489	1.9
347.04071	6.1
355.04330	4.9
373.05533	2.7
377.01901	6.6
377.06046	1.4
395.02762	2.5
407.07614	17.5
421.09525	1.1
423.06650	1.1
431.08194	0.9
449.08740	7.5
467.09772	86.9
468.10019	1.6
479.44159	1.0
483.09167	5.2
629.04053	1.2
649.41498	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.6
55.01877	15.9
55.05519	25.7
57.03440	17.0
57.07102	2.1
64.49507	2.3
65.03941	3.6
67.05509	66.2
69.03426	3.2
69.07067	30.2
69.40730	13.7
69.41134	5.0
71.05005	2.8
79.05495	50.2
79.05962	2.8
81.03443	4.0
81.07062	71.3
83.04990	5.9
83.08600	11.1
85.06552	3.9
85.75063	1.9
91.05482	60.7
93.07052	57.7
95.04977	10.2
95.08606	44.9
97.06541	22.7
97.10207	2.9
103.05495	2.6
105.07040	56.5
107.04971	10.0
107.08604	27.7
109.06533	8.2
109.10168	17.2
111.08082	2.4
117.07018	16.7
119.08584	36.3
121.06533	2.4
121.10144	21.1
123.08087	3.8
123.11703	4.0
129.07008	4.4
131.08569	29.8
133.10147	28.6
135.08081	5.0
135.11691	13.1
137.09604	4.9
139.07587	2.5
140.86723	2.1
143.08543	5.4
145.10141	19.9
147.08154	2.8
147.11679	11.0
149.09575	5.6
149.13235	4.4
151.11142	2.9
157.10139	3.1
159.11676	11.2
161.13303	6.0
163.11156	5.1
165.09161	3.0
173.13280	4.8
179.14355	8.1
185.13312	4.0
185.31161	2.3
201.16473	3.8
203.14355	4.5
211.14732	2.6
219.17458	100.0
239.17979	2.7
257.19095	6.3
261.22226	3.9
267.98184	2.6
275.20102	61.2
293.21100	5.3
335.25815	79.3
349.23776	17.7
366.25613	2.2
559.06671	2.6
609.45093	54.5
627.46307	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	627.1555
Annotation	Myricetin 3-rutinoside
Peak:m/z	Relative Intensity
53.03954	1.0
57.03435	2.6
58.92408	0.7
58.97031	0.7
59.93319	0.8
61.02945	4.3
65.45434	0.9
68.99796	1.1
69.03423	5.1
70.03961	1.3
70.04366	2.3
71.05001	12.2
73.02909	1.7
78.50374	0.8
81.03423	3.0
81.85712	0.7
82.93797	0.7
83.04975	0.7
85.02914	31.1
85.03429	1.6
85.94697	0.8
91.03951	1.8
91.24685	0.7
95.21382	0.8
97.02903	7.7
98.20826	1.2
99.04462	1.0
109.02882	2.7
111.00819	2.8
127.03922	3.9
129.05505	3.7
137.02357	4.7
145.04964	5.5
147.06496	1.2
153.01845	10.7
163.03984	1.4
165.01840	3.6
175.04001	0.9
179.03328	1.5
183.02950	1.4
195.03055	0.9
201.05508	1.6
203.03300	0.8
217.05025	3.1
229.05037	3.2
233.93398	0.8
235.06013	1.0
245.04416	4.3
257.04520	2.2
273.03976	4.1
285.04007	1.1
301.03375	1.6
303.05026	83.1
304.05264	2.0
319.04510	100.0
320.04700	1.4
345.06229	0.8
400.86011	0.8
465.10089	1.8
532.53943	0.9
584.82300	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1559
Annotation	Myricetin 3-rutinoside
Peak:m/z	Relative Intensity
57.03433	1.6
68.99799	0.8
69.03445	1.0
69.70786	2.3
71.05003	11.6
75.04464	0.7
83.04974	0.7
85.02912	15.9
97.02885	1.1
97.62165	0.4
98.20667	0.4
111.00822	1.5
111.04427	0.6
123.04540	0.4
125.02379	1.1
126.72649	0.4
127.03898	1.6
129.05486	4.2
137.02365	1.7
145.04958	0.5
147.06485	1.2
149.02333	0.8
151.03888	0.4
153.01852	7.3
164.39598	0.3
165.01851	4.7
167.03514	0.4
176.41824	0.3
177.05498	0.8
179.03375	2.5
179.87648	0.3
192.34651	0.4
194.69615	0.4
195.02936	2.4
203.03360	1.2
207.02908	1.6
217.04985	1.0
221.04366	0.6
232.03671	0.9
235.02444	0.4
245.04434	3.5
255.02832	0.6
273.03976	8.0
283.02457	0.5
290.04266	1.2
298.46957	0.4
301.03445	2.1
319.04510	100.0
320.04846	2.1
465.09995	0.4
481.09851	0.4
504.45831	0.5
557.05841	0.4
627.52496	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1345
Annotation	Quercetin 3-(6''-caffeylgalactoside)
Peak:m/z	Relative Intensity
51.16914	0.9
55.01872	0.9
55.05501	1.2
57.03431	4.2
61.02899	0.8
67.05488	1.2
68.99783	2.3
69.03411	1.6
71.04995	29.9
71.40726	1.2
81.03416	3.0
81.07052	1.0
83.05016	0.8
85.02908	30.8
89.03913	2.3
91.05477	1.0
93.07026	1.9
95.04979	1.5
95.08592	1.4
97.02880	2.3
99.04437	1.0
107.08593	3.1
109.02871	2.5
109.10091	1.2
117.03352	2.2
119.08587	1.3
121.02870	29.5
122.09622	1.2
127.03909	4.0
129.05493	6.0
133.10080	1.0
135.04413	6.1
135.11664	1.2
136.07631	1.0
137.02327	3.0
143.93558	0.8
145.02840	4.1
145.04955	2.7
147.04416	1.9
147.11678	1.2
153.01721	1.8
159.11699	0.9
163.03912	35.9
175.15085	1.0
181.04936	4.6
187.03989	1.0
201.05475	1.0
203.03401	2.3
215.08231	0.8
217.15959	0.9
227.03687	0.9
229.04982	2.3
233.09216	1.5
235.10759	1.4
239.31003	0.7
251.10231	1.1
257.04379	1.8
261.12314	1.1
271.02347	12.6
277.08163	1.5
285.04117	1.0
287.05475	1.4
289.03452	1.3
303.04971	41.8
304.05362	1.1
319.05872	2.1
347.05460	0.8
365.06598	2.7
375.05048	1.0
376.05759	1.2
393.05911	1.2
405.05991	3.5
406.06311	0.9
421.05533	100.0
422.06064	5.6
431.23862	1.0
432.17966	1.7
463.06500	1.9
481.07654	68.8
482.07919	1.3
531.09644	0.9
551.56799	1.0
627.27844	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1348
Annotation	Quercetin 3-(6''-caffeylgalactoside)
Peak:m/z	Relative Intensity
50.52423	0.2
53.03931	0.5
55.01869	0.2
57.03434	0.3
61.02916	0.3
63.02382	0.6
68.99785	0.2
69.03429	1.2
69.44523	0.3
69.44859	1.6
71.04984	0.2
71.05367	0.2
72.08145	0.6
73.02885	0.2
77.03918	0.2
79.05476	1.1
81.02972	0.4
81.03419	3.4
84.04503	0.5
85.02914	1.2
86.09713	2.1
89.03920	7.1
91.05483	0.2
95.04967	0.4
97.02901	0.6
97.81145	0.2
99.04450	0.5
101.07147	0.8
107.04971	1.6
109.02884	1.1
109.42346	0.2
111.00801	0.4
111.47183	0.2
116.07119	0.2
116.53028	0.2
117.03387	8.3
121.02862	0.2
127.03906	0.6
135.04430	18.0
136.07675	0.2
137.02338	0.8
143.11792	0.5
145.02856	12.7
146.03156	0.2
147.04388	0.8
149.02286	0.3
153.01814	1.5
163.03917	100.0
164.04265	0.8
165.01880	0.7
181.04979	2.3
183.02791	0.2
186.05544	0.3
201.05560	0.4
203.40704	0.2
229.05000	1.2
246.32430	0.2
247.06064	0.3
255.90646	0.2
257.04510	0.7
260.57700	0.2
285.03900	0.2
303.05011	23.3
304.05283	0.4
307.08176	5.1
319.04565	0.3
325.09219	1.8
398.23795	0.5
405.06183	1.3
406.06906	0.4
465.08286	1.1
511.32306	0.4
513.73834	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.6
56.05029	1.8
60.89409	0.5
61.02914	0.6
62.06102	0.8
65.61707	0.5
69.07072	1.6
69.73808	2.1
69.74226	0.9
70.06589	3.7
71.04958	0.6
72.08158	24.1
72.69569	0.5
83.06122	2.4
84.04506	34.7
84.08141	0.8
85.02882	0.8
86.09708	100.0
88.46685	0.5
98.09720	0.9
98.21472	0.9
101.07143	34.9
109.02903	0.6
109.61284	0.6
116.07099	5.8
122.09659	1.2
129.06607	6.4
129.10245	2.2
131.11815	6.3
136.07597	1.0
138.09206	1.0
140.14349	2.9
143.11800	16.7
152.10722	1.3
157.09740	7.7
164.07076	1.3
165.09122	1.9
169.13416	2.2
171.11288	9.8
183.11327	0.6
185.16490	2.5
188.13968	1.6
196.14487	4.0
197.12869	5.2
197.16443	3.2
200.14011	0.6
202.11142	0.6
208.09792	1.0
211.18132	0.7
213.15990	2.3
214.15555	6.0
214.17892	1.4
217.09837	1.1
224.13905	1.5
224.17548	0.7
225.12402	1.9
225.15994	5.9
229.15578	1.0
235.10881	4.1
236.11194	2.7
242.14989	13.0
242.18752	0.8
244.11865	0.6
252.17039	1.0
261.12326	4.0
262.12671	3.5
270.18106	8.0
271.18018	0.6
285.15634	0.8
287.20749	3.1
299.17188	9.2
303.05243	0.7
324.19223	1.2
327.16724	0.6
338.24442	1.1
339.20184	0.6
341.22040	0.9
353.21948	1.4
355.23251	0.9
355.27148	1.8
357.21664	0.8
367.23383	0.6
370.24619	1.3
380.22995	1.0
381.21484	7.6
382.18390	0.6
383.26569	1.9
384.26236	1.6
395.23010	0.9
398.24023	23.2
399.24423	0.5
400.29315	1.3
405.06219	2.2
406.06839	1.4
409.18088	0.9
410.18085	2.0
412.25525	11.3
427.20755	0.8
430.15991	0.9
431.16385	1.4
431.23886	1.1
445.21857	0.7
456.17303	0.7
457.17923	0.8
465.08081	3.7
466.30212	6.8
483.32962	15.5
493.31491	1.8
494.29871	4.6
508.53772	0.6
511.32422	27.5
572.27264	0.8
590.27057	1.1
606.56714	0.6
608.27753	1.6
626.29163	1.1
626.38727	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.4
54.06514	3.0
55.01876	27.6
55.05508	22.6
57.03433	7.4
57.07063	4.8
67.05510	58.9
69.06727	4.1
69.07076	64.4
69.63517	7.4
69.63927	15.5
71.04994	3.4
79.05497	55.1
81.03418	4.6
81.07062	74.7
83.04988	9.8
83.08617	13.7
85.06524	5.4
91.05486	60.6
93.07047	52.8
95.01341	5.0
95.04947	9.5
95.08608	44.9
97.06535	38.7
97.10181	4.0
105.07043	52.8
107.04954	16.2
107.08611	28.6
109.06519	7.6
109.10150	17.5
109.11206	3.7
111.08102	4.2
113.28720	2.7
117.07028	24.2
117.07793	4.6
119.08589	43.7
121.06493	7.9
121.10152	18.6
123.08028	6.5
123.11714	4.0
128.06239	7.3
129.07036	19.3
131.08594	38.0
133.06529	3.8
133.10143	34.7
135.08064	8.2
135.11742	15.3
137.09625	3.9
141.07031	6.9
143.08583	25.9
145.06541	4.7
145.10130	38.2
147.08122	5.7
147.11684	23.5
149.09621	8.4
149.13261	9.1
155.08600	12.2
157.10139	24.1
159.11707	24.2
161.09607	5.4
161.13208	15.7
163.11234	8.5
163.14769	3.4
167.08606	5.6
169.10179	16.8
171.11676	17.3
173.13281	17.6
175.14841	8.1
177.12724	4.7
179.14264	5.0
181.10097	7.9
183.11707	17.8
185.13249	18.0
187.11220	5.9
187.14870	8.0
193.10158	4.0
195.11734	8.9
197.13232	9.7
199.14781	7.7
201.16444	3.6
207.11778	3.5
209.13232	7.8
211.14806	7.8
221.13249	4.2
223.14940	5.2
227.17952	3.6
241.19478	19.7
251.18202	4.3
257.19003	7.5
259.20584	24.9
273.18542	9.3
275.20081	40.1
279.16052	4.3
285.18503	3.2
291.19510	5.0
297.22342	6.5
333.24271	21.9
335.25830	5.2
349.23663	23.4
435.32605	6.1
437.34119	11.5
493.36334	4.1
501.35535	4.0
511.37653	10.4
513.35748	8.5
515.38715	5.2
529.39337	5.2
533.39667	12.7
551.40723	4.3
607.43500	61.4
625.44745	100.0
626.45624	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	625.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.0
55.05508	1.4
67.05502	2.7
69.35876	2.9
69.36293	5.5
79.05479	2.5
81.07037	2.8
89.68597	1.0
91.05499	2.6
93.07039	1.4
95.04987	1.3
95.08606	1.6
98.21515	1.9
105.07037	1.8
119.54967	1.2
121.10127	1.2
145.10197	1.5
159.11694	1.1
178.28407	0.9
193.51181	0.9
203.37131	0.9
328.14557	1.1
346.16440	1.0
363.16116	2.4
376.16739	1.2
377.17657	6.6
378.18439	3.2
390.83145	0.9
391.19202	4.6
392.20123	5.8
393.20908	2.3
405.20917	5.3
406.21527	2.4
407.22290	15.1
419.22638	1.7
421.16370	2.0
435.22366	8.0
447.21991	1.9
451.21347	7.6
465.18671	1.7
465.23273	3.5
479.20618	14.1
480.21167	1.7
490.23941	1.2
493.22366	2.6
507.24023	2.0
508.24628	3.4
523.23468	1.0
524.24414	2.4
537.21466	4.2
551.22815	4.7
552.23663	11.2
553.27948	3.3
565.24591	4.0
579.25977	9.2
581.27698	14.6
607.25232	1.7
625.26575	100.0
626.26733	3.9
638.60925	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86838	1.5
67.05502	3.7
70.75671	2.7
70.75975	2.0
71.53250	1.8
79.05507	3.4
80.37251	1.2
81.07059	3.1
91.05495	3.1
93.07038	2.6
95.04946	1.7
95.08607	2.9
116.93485	1.3
119.08611	1.7
131.08635	2.4
206.09863	1.6
332.90436	1.7
391.19348	4.1
392.20267	1.6
404.20590	2.2
405.20752	10.5
406.21494	1.9
407.22305	6.0
419.22534	3.3
420.23175	1.9
421.24008	7.9
422.24594	1.7
433.24207	3.0
434.24377	2.0
449.19440	2.0
451.21280	17.0
452.22055	4.7
465.22974	17.4
466.23743	4.0
479.24432	2.4
491.20514	2.6
492.21140	3.2
493.26147	10.8
494.26505	2.0
501.22809	2.9
503.24716	6.5
509.21762	3.2
521.25482	8.9
523.23315	7.3
537.25098	7.0
538.25745	23.6
547.23431	3.5
565.24518	12.2
566.25012	2.7
581.27728	6.7
607.25708	8.7
625.26599	100.0
626.27222	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07716	3.2
50.49777	2.7
51.02382	3.8
53.03952	14.7
55.01872	6.0
55.05515	34.9
55.11575	3.0
56.72458	2.6
57.03439	20.0
65.03935	5.2
67.05174	5.2
67.05509	88.7
69.03432	24.9
69.07069	21.3
69.82559	2.9
71.01360	4.1
71.04987	6.9
79.05499	95.2
81.03425	59.3
81.07064	68.1
83.04982	36.5
83.08612	10.5
85.02920	16.7
85.06534	3.8
91.05488	71.9
93.07053	100.0
95.04978	30.7
95.08607	26.9
97.02894	13.4
97.06528	20.1
97.10157	8.8
99.04473	4.9
103.05502	4.2
105.04527	4.0
105.07037	46.5
107.04971	15.9
107.08607	38.8
109.02877	4.2
109.06538	8.2
109.10121	14.4
110.86798	3.0
111.04465	4.9
111.08085	5.0
115.05451	7.4
117.07022	25.6
119.08582	28.5
121.06484	6.7
121.10152	14.7
123.08064	8.3
127.03881	6.3
128.06183	5.7
129.05489	7.6
129.07016	31.1
129.30180	2.8
131.08600	23.9
133.06470	8.7
133.10138	17.6
135.08054	7.3
135.11720	45.0
141.07011	5.5
143.08545	17.5
145.06483	5.8
145.10167	21.0
147.08022	5.5
147.11688	21.4
155.08510	5.4
157.06514	3.3
157.10182	8.1
159.08040	5.5
159.11707	6.7
161.09665	6.2
161.13268	10.7
163.11189	11.0
167.08618	3.8
169.10086	3.3
171.08119	6.2
171.11681	25.2
173.04483	6.9
173.09596	3.5
173.13252	3.2
175.07443	5.1
179.14485	3.0
181.12238	12.4
183.11679	3.2
185.09732	3.8
185.13239	4.1
187.11226	3.5
189.12708	8.1
197.13329	3.4
207.13852	21.8
221.15326	4.4
229.59546	4.4
240.81059	3.1
241.15843	4.6
255.15921	42.3
259.16953	5.9
269.15350	10.5
281.17435	28.9
287.16376	16.5
305.17496	4.2
315.15939	3.3
343.19260	3.4
351.18381	4.0
361.20190	4.1
399.19897	6.1
425.21594	3.8
461.29022	74.5
541.31354	5.7
605.32941	13.8
623.33972	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	623.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55524	0.4
53.37503	0.5
55.05510	0.6
57.07066	0.6
57.86114	0.5
61.63604	0.4
67.05506	1.3
68.21284	0.4
69.07088	0.6
70.14046	1.8
75.39296	0.4
81.07055	1.1
91.05497	0.7
93.07053	0.7
95.08625	1.3
96.36815	0.4
107.08569	0.6
119.08622	0.8
121.10115	0.5
124.32394	0.4
133.10159	0.7
156.04259	0.5
204.13779	0.4
212.56029	0.5
248.08980	0.4
296.61047	0.5
301.75247	0.4
391.20389	0.5
400.17459	0.7
402.19208	0.5
403.19458	1.0
404.20837	0.7
405.21231	0.6
413.17664	0.6
414.18597	1.3
415.19559	2.1
416.20462	1.0
417.21216	0.9
419.18158	1.2
419.22864	1.0
420.58618	0.5
427.19247	0.7
428.19986	0.9
429.20898	7.8
430.21964	1.1
431.18106	0.8
433.23981	2.0
435.21716	0.8
443.22742	3.9
444.23703	2.7
445.24088	1.5
447.21918	2.0
449.23550	1.0
456.19641	0.7
457.19858	0.6
457.24426	0.8
458.25241	3.7
459.21671	4.5
460.22925	2.1
461.24579	2.3
462.20605	1.5
463.21695	0.7
470.20798	0.6
471.21487	0.9
472.22617	4.5
473.23468	2.6
474.20615	0.9
475.20911	1.1
476.21985	1.7
477.22983	4.0
485.23495	6.5
486.24237	1.7
487.25180	3.8
489.23105	0.9
490.23538	0.7
502.23624	0.6
503.24728	2.7
517.26178	4.9
519.24445	0.7
520.24762	0.8
521.22394	0.6
531.23950	5.1
545.25519	50.4
546.25708	2.1
563.26428	12.4
564.26581	0.8
587.90204	0.5
605.27484	4.3
622.61517	0.6
623.28662	100.0
624.28931	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	623.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.0
65.03932	0.8
67.05502	2.0
72.63039	0.9
76.10567	0.8
77.10497	0.9
79.05497	2.1
80.61343	0.8
81.07062	2.1
89.07162	0.9
90.03152	0.8
91.05476	1.7
95.08629	1.4
95.93803	0.8
105.07034	1.7
107.08557	0.9
119.08578	1.6
131.08559	1.2
132.71127	0.8
153.51218	0.8
155.68280	1.0
225.05453	1.0
332.69040	0.9
389.17615	1.3
403.19351	1.1
404.20255	1.3
405.21274	1.5
417.16486	1.3
418.17706	1.4
419.22488	2.5
420.23303	1.2
429.21426	1.1
430.17984	1.7
431.18103	4.1
432.19003	1.3
433.20209	6.0
443.18387	1.8
444.19489	2.1
445.20337	3.8
446.21048	3.3
447.21985	5.5
458.20938	5.6
459.21594	4.9
460.22821	4.3
463.21344	2.6
473.23978	0.9
475.21497	1.6
477.22858	2.4
505.25589	0.9
518.23230	4.4
521.22076	1.5
531.24030	1.4
533.25598	8.2
534.25171	1.0
535.26923	2.7
545.25433	2.1
563.26422	4.1
605.27679	9.8
623.28662	100.0
624.29291	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	623.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31841	0.9
55.05509	1.3
57.07086	1.8
67.05505	1.3
69.40444	2.3
69.40862	5.6
76.06285	0.9
77.51181	1.3
81.07043	1.2
89.06065	4.7
91.05521	1.4
93.07085	1.2
98.21519	2.3
109.10219	1.1
129.19785	0.9
133.08653	1.7
139.14107	1.1
170.47417	1.0
263.15204	1.1
375.16742	1.1
376.16995	1.1
377.17661	1.7
388.17978	1.2
389.17984	1.6
390.18790	1.9
391.19351	4.2
392.20105	3.5
393.21072	1.1
399.16409	1.3
400.16898	2.0
401.17941	1.0
402.19366	1.0
403.19504	1.5
404.20306	1.2
405.20911	4.4
405.79767	1.0
406.21771	3.2
407.22314	14.0
413.17764	1.4
414.18552	3.8
415.19281	6.3
417.20825	1.8
419.22552	1.9
420.23459	1.7
421.23984	11.5
422.24716	2.7
427.19525	3.0
428.20212	3.1
429.20779	14.1
430.21997	3.5
433.20111	2.2
442.22189	2.0
443.22717	8.0
444.23083	3.8
445.20248	3.3
447.22424	1.3
455.18915	1.6
456.19843	1.5
457.24728	4.7
458.24948	5.5
459.22202	7.5
460.22644	3.7
461.19159	4.9
462.20514	2.4
471.22034	2.1
472.22760	8.2
473.23679	2.2
475.21118	7.4
476.21640	6.4
477.22949	3.8
485.23615	18.5
486.24332	2.9
487.25150	1.2
488.22244	2.7
489.22922	3.8
499.21060	3.5
500.09204	1.1
500.22186	2.4
502.23752	1.8
503.24518	8.2
513.22986	3.1
514.23846	2.8
517.26422	8.5
521.25848	1.4
529.25671	1.8
535.27313	5.6
545.25531	89.4
546.25751	2.6
563.26904	1.2
564.27191	1.2
573.24982	20.8
574.25476	1.3
591.25568	2.1
605.27631	100.0
606.28107	4.2
623.28650	95.3
624.29163	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
69.50565	5.1
76.37955	0.8
81.07092	1.1
95.08627	1.1
95.36385	0.8
197.10791	1.0
204.87782	1.0
209.10782	1.2
210.11411	1.3
226.14340	1.0
236.99940	1.1
343.12314	1.4
391.19540	1.9
406.17780	1.2
417.21338	1.4
418.17599	1.8
419.18402	2.1
433.16220	2.3
434.21204	1.7
435.22177	2.6
446.17029	2.0
447.17450	1.7
447.22507	1.4
448.18915	4.2
449.23831	1.4
461.19077	4.9
462.20636	4.0
463.21277	7.8
475.21234	3.0
476.21771	9.1
477.22720	8.7
478.23395	2.5
533.22034	1.9
535.23962	4.8
536.23901	3.5
545.25482	1.3
547.26642	1.8
548.24170	1.8
549.25018	4.8
550.25275	2.1
563.26538	15.5
564.26880	4.0
579.29846	1.6
591.25836	9.6
594.24683	4.9
595.29291	4.6
605.27612	3.0
608.26160	1.9
623.28558	100.0
624.28973	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	623.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.2
57.85175	1.6
60.03896	1.3
67.05505	5.9
78.91175	1.8
79.05490	2.2
81.07066	1.8
91.05491	7.7
93.05777	1.5
93.07037	7.6
94.06595	9.0
95.04965	3.2
96.04514	4.2
100.45880	1.4
103.61356	1.6
106.06544	1.6
107.07359	3.3
108.08118	12.9
110.06042	5.4
118.06596	2.8
119.04939	8.2
120.08099	2.7
120.23919	1.5
121.06552	2.9
122.06041	22.0
122.09679	25.3
124.07622	2.7
125.24032	1.5
132.08109	2.1
134.09624	1.5
136.07585	33.7
136.29816	1.4
138.09148	6.0
140.07104	5.8
147.04428	5.2
149.07112	3.3
150.05502	6.1
154.08650	14.3
160.07587	3.4
162.05525	3.6
162.09174	1.6
164.07082	100.0
172.07616	2.1
174.05360	1.6
174.09207	4.5
177.06610	6.3
178.05106	2.2
180.10223	2.5
181.09720	11.1
186.05501	1.9
188.07069	4.5
189.06569	1.6
189.10300	3.7
190.08609	5.2
191.08168	17.4
200.07144	5.0
201.06630	5.5
202.08739	17.4
203.04597	1.6
203.08171	34.7
204.06627	17.8
204.08507	2.4
208.09645	3.1
213.10220	2.6
214.10760	1.7
215.08217	4.6
215.11800	3.6
216.10260	2.2
217.09775	18.4
218.08157	5.7
220.09750	4.2
227.08237	4.3
227.11736	1.6
228.06801	1.7
229.06079	18.3
230.08174	12.6
231.07683	4.5
231.11255	2.9
233.09259	4.1
234.10072	2.4
235.10732	7.8
241.09811	4.4
243.07664	6.5
243.11295	3.8
244.09709	5.4
245.06854	3.2
245.09238	38.2
245.12909	2.9
246.07646	5.7
247.10794	3.0
248.09253	6.9
257.09271	2.1
257.12842	6.5
258.11377	11.8
259.10834	7.3
259.14529	1.7
261.08768	13.9
261.12457	3.1
263.10291	40.7
269.09311	2.5
271.07193	10.2
271.10583	2.2
272.09186	5.1
274.13205	5.6
275.13898	17.2
277.11951	2.8
285.08936	1.9
285.12350	4.3
287.10266	23.9
287.13647	2.5
288.08795	1.8
289.08170	5.6
289.11807	5.4
290.10242	1.6
295.14169	1.7
299.13980	3.7
301.11844	24.7
305.11325	81.7
307.12952	11.8
309.15637	1.8
313.08298	3.2
315.09152	2.3
317.14972	2.3
319.12881	3.1
326.15167	2.2
330.14661	2.5
331.08990	1.6
333.10916	5.0
335.16583	1.8
337.15256	1.7
338.15009	4.3
351.17032	1.9
355.16522	2.5
355.39078	1.6
364.16602	2.6
365.18060	1.8
366.18222	10.7
376.16550	2.2
378.18033	4.4
379.16348	3.8
396.19336	2.1
397.17587	19.1
398.17056	6.0
407.16098	5.3
414.20309	3.0
420.19470	7.6
422.16977	4.2
424.18515	6.3
425.17169	34.8
426.16309	2.4
428.21927	3.2
437.19165	2.0
438.20712	8.9
440.18259	7.1
442.19781	65.0
443.19284	1.9
450.16779	7.7
452.18344	3.3
460.20779	43.4
468.17700	49.3
470.19031	11.0
486.18677	9.9
541.24396	1.7
559.25281	4.7
577.26447	1.9
587.24744	7.8
605.26074	65.7
606.25940	2.8
623.27069	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	623.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.3
53.21031	0.8
55.01868	1.4
55.41362	0.8
67.05502	3.2
71.11633	1.9
79.05473	1.0
81.71019	0.8
82.50533	0.9
89.09122	0.8
91.05490	6.0
93.05816	1.0
93.07039	5.1
93.44111	0.8
94.06563	3.0
96.04519	1.2
108.08116	13.2
109.06582	1.1
110.06058	2.8
118.06518	1.4
119.04958	5.0
120.08148	1.3
121.06542	3.0
122.06050	7.7
122.09695	1.5
123.05525	1.6
124.07600	1.4
131.38420	0.9
131.51727	0.9
134.06084	0.9
136.07581	20.4
136.08543	1.5
137.06026	1.0
137.34985	0.8
138.09195	1.3
140.07092	2.2
146.06007	2.6
147.04431	3.8
149.07132	1.7
154.08629	8.8
162.09154	1.3
164.07072	100.0
165.07437	1.4
170.09720	1.1
174.09149	1.8
175.05013	1.8
177.06590	3.1
180.10179	1.0
181.09650	2.7
186.05432	1.0
190.08636	1.5
191.08089	1.8
200.07065	1.4
202.08609	2.7
203.08173	2.3
208.09663	1.3
216.10179	1.1
217.09711	1.2
218.08174	1.7
220.09818	1.0
228.06635	1.9
234.09834	1.3
235.10840	1.3
242.08177	1.7
243.11295	1.2
244.09517	1.7
245.09267	2.5
245.12915	1.3
257.12680	1.9
258.11340	5.5
259.10938	1.6
261.08749	3.4
263.10330	3.6
267.11264	1.0
269.09143	1.1
271.10825	1.0
272.09253	2.0
272.12683	0.9
275.13919	3.6
285.09583	1.1
285.12186	4.6
287.10303	3.8
287.13773	1.3
301.11844	7.4
302.14938	3.5
305.11359	7.2
330.14517	12.6
351.17154	1.0
352.15964	1.0
355.16583	1.5
369.18115	2.0
379.16589	2.6
396.19437	1.1
397.17499	8.3
398.16272	1.7
399.33167	0.9
407.16089	2.6
420.19498	1.3
422.17145	1.3
424.18744	5.7
425.17072	26.2
442.19766	17.7
443.18289	2.3
447.28171	0.8
450.16397	1.3
460.20737	18.4
468.17728	13.4
470.18509	1.1
484.20959	1.3
486.18716	2.3
493.21066	2.5
508.66852	0.9
587.24664	2.0
605.26007	24.6
606.26373	1.5
623.27148	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85622	0.9
52.42731	1.1
53.03962	1.7
55.01880	1.3
65.63039	1.0
67.05492	3.1
69.41017	4.5
69.41454	4.8
72.19930	1.1
75.58607	1.2
80.05035	1.4
91.05498	9.6
93.05804	4.0
93.07049	8.1
94.06567	3.9
94.83202	1.0
95.04970	2.8
96.04520	1.5
108.08121	18.4
109.55713	1.1
110.06058	5.1
117.65583	1.1
118.06582	1.6
119.04942	8.4
121.06559	2.8
122.06037	13.1
123.05544	1.7
124.07607	2.0
136.07582	26.8
137.75386	1.2
138.09126	3.4
140.07077	2.9
146.06047	3.3
147.04419	3.9
147.05557	1.7
148.07643	2.2
149.07169	3.1
154.08644	14.3
162.05554	1.6
162.09174	2.4
163.08713	3.2
164.07074	100.0
170.09666	1.5
171.10573	1.3
172.07571	1.8
174.09151	2.9
175.05150	2.4
175.08684	2.5
177.06552	5.6
180.10246	3.2
181.09811	4.1
188.07005	1.8
189.10316	1.3
190.08670	3.3
191.08257	3.0
200.07098	2.7
202.08681	3.5
203.08182	4.7
204.06705	2.2
208.09711	3.5
212.10751	2.0
213.10172	1.3
215.08238	1.9
215.11923	1.4
216.10410	2.7
217.09766	4.3
218.08141	5.6
227.08177	1.4
227.11911	1.4
228.06717	2.5
229.13393	1.5
230.08092	2.4
234.09975	1.5
235.10889	4.2
241.09761	2.0
243.07791	1.7
243.11238	2.0
244.09811	4.8
245.09334	4.7
245.12947	2.0
246.07571	1.4
248.09232	3.0
257.12918	4.4
258.11240	19.2
259.10864	2.6
260.13025	1.6
261.08670	7.1
263.10434	6.8
267.11142	1.4
269.09271	1.7
272.09320	2.9
273.12537	2.0
275.13852	5.4
283.10745	1.7
285.12198	5.5
287.10208	13.4
288.08777	1.3
301.11859	24.1
302.15036	5.6
305.11295	10.9
307.13144	2.3
309.15891	1.8
315.09866	3.4
330.14487	10.2
338.14240	1.3
339.17075	1.3
351.17279	4.1
355.16556	1.8
364.16043	1.3
369.18161	3.3
376.16934	1.2
378.18021	1.2
379.16650	5.8
380.15396	1.2
381.18182	1.7
396.19131	1.9
397.17615	27.8
398.16339	1.8
407.16165	7.2
422.17377	1.8
424.18768	9.0
425.17090	63.8
438.20428	2.1
442.14059	1.0
442.19727	29.0
443.18826	1.3
450.16776	4.3
460.20786	16.2
468.17700	37.3
484.20999	1.9
493.20883	3.7
529.63251	1.2
587.24994	6.9
605.26105	48.9
623.27173	62.3
624.26996	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	16.1
55.01881	13.3
55.05515	35.3
57.03439	11.6
57.19717	2.3
67.05511	47.7
69.03427	44.0
69.07070	15.6
70.63444	7.5
71.01325	4.1
71.04997	16.9
73.02937	3.7
77.03905	2.8
79.05496	44.7
81.03421	100.0
81.07060	50.0
83.01363	3.6
83.04984	20.4
83.08623	18.5
83.58249	2.4
85.02902	13.8
85.06557	3.4
86.09724	3.3
86.98270	2.7
87.54691	2.5
91.05486	44.7
93.07044	42.5
95.04987	28.4
95.08612	27.2
95.09046	2.1
97.02891	33.2
97.06556	8.0
97.10181	12.5
99.04443	12.6
99.08080	2.9
105.07039	28.8
107.04976	9.0
107.08601	29.8
109.02887	16.0
109.06552	7.4
109.10175	10.4
111.04450	9.3
111.08107	5.7
117.07024	19.1
119.04971	3.5
119.08569	17.9
120.90359	2.5
121.06496	14.0
121.10137	14.8
123.04488	3.8
123.08096	6.2
123.11739	3.7
125.06082	2.7
125.09644	16.0
127.03927	22.1
128.06294	3.0
128.64006	3.2
129.05482	3.6
129.06990	14.3
131.04942	4.7
131.08568	20.3
133.06563	5.8
133.10161	14.0
135.08096	5.6
135.11716	16.9
137.06038	2.6
137.09647	5.7
139.67918	3.0
141.07024	5.3
141.29140	2.7
143.08609	8.9
145.06552	10.0
145.10147	16.3
147.08093	8.4
147.11742	9.1
149.09679	3.5
149.13318	10.4
153.09055	2.9
153.12802	7.6
155.08588	8.0
157.06502	6.4
157.10165	5.2
159.08089	6.8
159.11772	7.6
161.06088	3.8
161.09686	6.2
163.11232	17.4
165.07259	2.3
165.07849	3.0
165.09108	16.8
167.07162	3.8
169.10225	2.8
171.08122	4.5
173.04477	37.0
173.05803	3.6
173.09662	4.1
175.11255	2.8
177.12738	3.4
181.10075	5.8
181.12263	5.7
185.06065	2.6
185.09604	4.7
185.13351	4.1
189.11304	6.6
189.12793	3.3
191.10762	7.4
193.82837	2.6
195.11714	5.0
195.13969	2.5
197.13338	6.6
199.11197	3.3
207.11884	3.2
209.11719	5.8
215.14363	8.0
227.12715	15.1
233.15486	5.0
255.13571	2.7
273.14960	6.2
287.16464	4.3
321.22357	3.8
339.18265	7.7
339.23386	7.9
348.15158	3.4
349.21594	3.7
356.93970	2.9
357.24332	11.7
367.22870	12.1
385.23770	37.9
403.24820	25.1
441.26266	15.8
447.25967	3.4
449.29358	5.1
459.27386	59.3
477.28653	10.8
511.26987	3.7
529.27679	2.8
539.30817	4.0
547.28955	3.1
557.32080	3.3
585.30585	7.9
603.31787	17.7
621.32782	96.6
622.32990	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	623.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70208	0.9
53.03925	1.2
55.01874	1.4
61.49287	0.9
67.05502	3.7
69.03432	1.7
70.82272	1.1
70.82600	2.4
71.04985	3.0
85.02912	3.4
91.05488	10.6
92.31476	1.0
93.05793	4.0
93.07064	7.3
94.06588	5.0
95.04984	2.4
96.04521	1.6
108.08123	20.8
109.06527	1.0
110.06078	5.0
118.06514	1.6
119.04973	5.6
120.08140	1.9
121.06493	3.3
122.06044	16.5
123.05570	1.5
136.07582	30.1
138.09157	2.9
140.07089	3.6
146.06027	3.9
147.04414	4.8
148.07587	2.2
149.07129	3.7
153.01988	1.3
154.08635	17.5
154.09784	1.5
160.07626	2.4
162.05528	1.9
162.09195	2.3
163.08730	3.1
164.07079	100.0
174.09174	2.5
175.05122	1.3
175.08681	1.3
176.07069	1.2
177.06619	6.4
178.08794	1.0
180.10194	3.8
181.09714	4.9
186.05576	2.0
186.09258	1.5
188.07083	1.4
190.08604	3.4
191.08203	3.2
198.09164	1.7
199.10138	1.6
200.07158	2.7
201.10159	1.1
202.08696	3.0
203.08109	4.8
204.06602	3.0
208.09688	1.8
213.10197	1.7
215.08250	1.2
216.10275	2.0
217.09718	6.0
218.08163	4.0
220.09785	2.3
226.08746	1.4
227.08145	1.2
227.11852	1.8
228.06601	4.0
228.10359	1.3
229.06206	1.7
229.13348	1.3
230.08109	3.2
230.11829	1.5
233.09366	1.3
234.09900	1.6
235.10851	3.0
240.10304	1.1
241.09926	1.1
242.08257	1.3
243.11307	1.7
244.09727	3.6
245.09262	6.4
245.12953	2.6
246.07666	2.7
248.09305	1.9
257.12820	5.6
258.11313	15.8
258.13736	1.6
259.10779	2.4
261.08768	9.3
261.12219	1.7
263.10327	7.0
267.11435	1.2
269.09326	2.1
270.07703	1.8
271.10843	1.4
272.09259	2.6
273.12234	1.0
274.13287	1.6
275.13992	5.7
284.14011	1.8
285.12344	8.1
287.10309	11.3
287.13596	1.7
289.11597	2.4
299.13834	1.7
301.11816	22.5
302.15097	4.3
303.05026	14.8
304.05432	4.9
305.05719	1.4
305.11270	13.8
307.13034	2.8
315.10016	1.7
330.14447	16.1
337.15491	1.2
341.14975	1.4
351.17325	2.4
352.15683	1.3
355.16418	2.2
361.04025	6.0
362.04303	4.1
363.04156	1.9
366.18164	2.5
369.04547	1.2
369.18091	1.4
378.18420	1.7
379.05042	1.7
379.12363	1.4
379.16629	6.3
380.05530	1.3
380.15854	1.8
381.18152	1.5
381.65469	1.2
383.16077	2.3
396.19238	1.6
397.17593	19.7
397.22336	1.8
398.16821	2.9
407.15973	5.5
410.14703	1.3
420.19296	2.4
422.17218	2.4
424.18753	7.5
425.17099	45.5
426.16730	1.5
438.20175	1.3
440.18274	1.5
442.19711	27.4
443.18683	3.0
450.16733	4.0
460.20898	19.6
468.17703	38.1
470.19077	2.0
486.18701	3.2
493.20767	2.3
577.27374	1.2
587.24829	4.6
605.26031	55.3
606.26288	2.2
623.27106	63.8
624.27820	2.9
633.12531	1.1
634.13446	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	10.3
55.00544	2.3
55.01868	5.8
55.05513	15.2
57.03441	13.1
65.03939	4.9
67.05511	41.6
67.82735	2.3
69.03440	17.4
69.07055	7.5
69.25410	25.6
71.04996	5.8
79.05501	63.7
81.02983	2.9
81.03423	36.8
81.07069	34.3
83.04986	18.0
83.08630	4.0
85.02924	12.8
91.05489	100.0
93.07048	42.1
95.04974	26.6
95.08613	14.6
96.20950	2.4
97.02877	10.4
99.04482	3.8
105.07038	48.6
107.04972	16.2
107.08595	14.1
109.02879	6.2
109.06501	4.5
109.10177	3.0
111.04435	4.3
111.08071	3.2
113.27932	2.4
114.53006	2.4
115.05425	6.9
117.07023	22.0
119.08588	26.3
121.06472	5.7
121.10129	4.4
123.04456	3.6
123.08081	4.5
123.64724	2.6
127.03895	5.4
128.06221	7.2
129.07021	28.7
131.04950	5.9
131.08594	15.3
133.06480	7.4
133.10132	33.4
133.12685	2.5
135.08040	4.6
135.11655	5.6
141.07002	6.0
142.07748	3.5
143.08569	13.8
145.06482	3.8
145.10168	6.3
147.07986	6.2
147.11671	14.9
149.09654	7.3
155.08490	6.9
157.06549	3.2
157.10146	5.8
159.11609	2.9
161.09625	17.1
161.13300	9.2
167.08539	3.8
171.08015	4.6
171.11682	19.6
173.04445	8.3
173.09615	3.7
175.11206	3.0
177.09157	2.7
179.10652	11.1
185.13235	6.3
189.12738	9.4
195.11763	4.9
199.11139	3.4
207.13777	16.9
213.12746	9.4
217.12309	2.7
223.11174	3.4
241.12241	9.9
253.14342	29.1
259.13248	6.3
269.15286	4.7
281.17468	30.1
287.16403	5.7
309.16876	3.7
397.18411	3.4
407.92102	3.0
444.30624	2.5
459.27481	15.9
539.29932	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	621.327
Annotation	withalongolide L
Peak:m/z	Relative Intensity
53.03946	8.7
55.01871	8.5
55.05515	38.1
57.03437	7.6
59.42908	3.1
61.02941	4.8
63.87933	3.1
67.05510	40.5
69.03433	25.0
69.07061	6.4
70.59631	6.3
71.04995	6.6
79.05500	42.2
81.03424	26.8
81.07063	32.7
83.04977	7.7
83.08630	23.0
85.02878	11.0
91.05486	34.5
93.07053	17.9
95.08600	11.3
97.02894	11.4
97.10192	41.3
103.05466	12.3
105.07047	33.0
107.04963	8.7
107.08601	23.6
109.02862	6.4
109.06503	5.9
109.10165	4.5
111.08101	3.8
115.05456	8.7
117.07008	38.3
119.08598	13.6
121.06496	7.4
121.10128	7.0
125.09633	26.5
127.03911	4.8
128.06262	9.1
129.07004	20.4
131.08594	30.5
133.06456	9.8
133.10101	4.4
134.60367	4.2
135.08063	8.9
141.06993	13.4
143.08554	12.5
145.06480	12.3
145.10069	10.7
149.09628	4.4
153.06984	4.4
153.09064	4.3
155.08563	15.9
157.10103	6.7
159.08023	6.0
159.11740	4.0
167.08585	4.8
169.10144	10.3
171.08034	6.2
171.11673	7.8
173.04524	9.4
181.10199	6.0
183.11807	4.6
185.09747	5.7
187.14861	9.8
189.11218	16.9
197.13266	12.1
202.76443	3.3
210.50604	3.4
215.14328	44.1
219.11629	4.9
227.12823	21.3
231.13982	4.1
256.13577	3.7
271.17166	5.2
339.23328	5.7
346.81506	3.8
349.21609	15.4
367.22726	32.2
385.23828	26.2
402.88882	4.5
403.24411	7.3
441.26440	84.4
459.27451	100.0
477.28345	9.0
585.30634	4.0
591.27039	4.1
603.31946	7.6
621.32001	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	621.2705
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
61.85887	0.7
67.05515	2.5
69.07059	1.7
70.14907	2.9
72.51619	0.9
74.70006	0.8
81.07069	2.4
83.08635	1.7
90.99796	1.0
91.05494	1.4
93.07040	1.3
95.08590	1.4
95.14008	0.8
97.10182	1.1
181.23813	1.0
293.17523	4.8
299.70078	1.0
308.19186	1.0
388.17035	1.2
389.17523	2.6
403.19153	3.0
404.19742	2.4
405.20520	1.5
417.16565	1.6
417.21338	1.8
418.17578	1.7
419.22723	4.2
430.17596	1.3
431.18466	2.4
432.19458	1.2
445.20819	4.6
446.21054	3.7
447.21814	5.9
459.17459	1.8
461.19571	1.3
474.20428	7.6
475.21201	12.4
487.21448	3.4
501.22665	2.3
505.26117	1.2
529.22919	1.4
529.38837	1.7
533.25409	7.0
561.25018	28.4
562.25598	1.1
589.24445	1.6
614.06097	1.1
621.27075	100.0
622.27325	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	621.2712
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
52.33598	0.8
57.84754	0.7
60.99512	0.7
67.05501	1.1
69.22959	0.7
69.27621	0.8
71.57183	1.0
79.05488	0.9
81.03423	0.8
81.07058	2.6
83.08633	0.8
93.07035	0.7
115.87129	0.7
122.93961	0.7
173.56734	0.9
202.19319	0.8
267.92050	0.7
375.16016	1.1
387.16055	1.4
389.17801	2.3
390.18405	1.2
402.18747	1.3
403.19498	5.1
404.20081	1.5
405.20969	2.2
417.17111	3.4
417.21338	2.3
419.22513	7.6
426.08334	1.0
431.18140	6.6
432.19305	2.2
433.20248	2.5
445.20288	6.2
446.21109	7.1
447.21753	9.1
459.22147	2.4
460.23187	1.0
461.19504	1.4
474.20389	6.3
475.21329	7.2
487.21359	3.0
488.22141	0.9
491.20837	0.8
501.22934	2.0
519.20758	0.8
533.25507	16.0
561.24951	24.4
562.25623	1.6
593.27386	4.2
621.27094	100.0
622.27637	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	621.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69178	0.4
57.07010	0.6
71.49183	0.8
72.36114	0.4
81.07021	0.4
91.05400	0.5
124.18197	0.5
181.49825	0.4
183.09154	0.5
221.10687	0.9
251.11665	0.5
305.32602	0.5
373.14432	0.8
374.15356	0.7
375.15939	0.9
377.18381	0.5
387.16370	1.0
388.16998	2.1
389.17670	4.7
389.99765	0.4
390.18164	1.7
391.19199	1.2
401.17776	1.1
402.13928	0.8
402.19061	1.9
403.19492	6.7
404.20010	4.0
405.20795	2.7
415.19284	1.2
416.16177	1.7
416.20721	0.7
417.16150	5.5
417.21060	3.2
418.17398	1.1
418.21747	1.2
419.22360	10.4
429.16959	1.2
430.16989	1.9
430.22598	0.6
431.18039	8.7
431.23514	0.9
432.19125	3.5
433.19794	2.0
443.18335	1.0
444.19516	1.2
445.15564	0.5
445.20273	8.3
446.21048	6.2
447.21808	13.5
448.22485	1.1
457.20401	0.7
458.96945	0.6
459.17145	1.6
459.21884	3.3
460.22382	1.3
461.19653	1.3
473.19540	2.0
473.24127	1.2
474.20486	13.0
475.21289	18.2
476.21283	1.0
477.22467	0.7
487.21323	4.9
488.22098	1.6
491.20728	1.3
501.22952	3.2
502.23520	0.7
505.26648	2.2
506.22647	0.5
518.23151	0.9
519.20575	0.4
529.22443	0.9
533.25555	14.1
534.25128	0.5
546.22748	1.0
561.24976	83.2
562.25287	4.0
589.24219	2.5
593.27679	4.0
621.27087	100.0
622.27606	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	620.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
55.01867	1.3
55.05513	4.4
55.95227	0.8
56.05044	1.9
57.07074	1.8
58.93509	0.8
60.04512	2.4
60.78407	0.9
67.05503	10.3
69.03419	3.6
69.07063	3.3
69.53761	1.8
69.54162	5.1
70.06620	0.9
71.04987	2.8
79.05499	12.2
80.04999	2.5
81.03409	2.8
81.05790	3.6
81.07066	10.6
82.06596	4.7
83.04983	0.8
83.08599	3.4
85.02886	1.8
85.06553	1.2
87.01197	0.8
87.04460	2.2
91.05459	4.9
93.07047	17.7
94.06007	1.5
94.06572	18.5
95.04967	1.6
95.08038	1.6
95.08610	17.1
96.08103	2.5
97.06541	3.9
97.10168	1.4
105.07034	12.0
107.07318	3.2
110.09105	0.9
110.09701	8.1
111.08093	13.3
111.42280	0.9
122.09675	34.1
123.08069	21.5
123.08946	1.6
126.07052	0.9
128.10728	27.2
140.10712	100.0
141.09108	12.1
141.10918	1.0
158.11775	8.1
228.14449	1.0
300.28995	7.1
404.35254	1.8
410.36337	8.6
422.36346	18.1
440.37372	51.3
441.37866	1.0
447.21600	1.1
533.25183	1.1
540.99017	0.9
561.25104	1.2
621.27130	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	621.2707
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
61.64082	0.4
65.12602	0.4
70.70636	1.0
89.19721	0.4
145.71213	0.4
298.03806	0.5
317.74966	0.5
324.15250	0.6
375.16223	0.9
376.17200	0.5
387.16339	1.0
388.16922	0.9
389.17563	3.0
390.18552	1.4
391.19125	0.8
401.17929	1.2
402.14127	0.5
402.18570	1.3
403.14795	0.6
403.19626	3.7
404.20108	2.2
405.20782	2.6
415.19293	0.7
416.16019	0.9
417.17181	3.8
417.21216	2.2
418.17303	0.8
418.21844	1.3
419.22510	7.3
420.23517	0.6
430.17365	1.1
431.18195	7.1
431.24008	0.6
432.19052	3.4
433.20050	2.9
445.20126	5.9
446.20959	6.5
447.21826	10.3
448.22891	0.9
459.21860	2.3
460.18332	0.7
461.19785	1.6
473.19080	0.9
473.23892	0.8
474.20447	6.8
475.21295	8.5
477.22888	0.5
487.21265	3.4
488.22400	1.4
491.20892	1.5
501.22879	2.1
501.45291	0.6
505.26114	1.4
519.20709	0.6
533.25568	14.4
534.25385	0.5
546.22699	0.6
561.25006	22.3
562.25391	1.8
563.23108	0.5
589.25165	0.7
593.27783	2.7
621.27106	100.0
622.27197	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	620.364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.4
55.01881	16.1
55.05521	11.5
64.60128	2.4
67.01901	2.9
67.05509	45.0
69.03429	33.3
69.07061	8.8
69.48882	17.7
71.04984	8.9
72.08152	2.5
73.02925	7.2
79.05496	29.3
81.03420	37.0
81.06641	3.8
81.07062	46.0
83.08618	3.7
85.02902	18.2
86.09691	3.2
87.48175	2.1
91.05486	14.9
93.07041	34.4
95.04984	4.4
95.08606	35.4
97.02899	33.8
97.06515	2.7
98.21444	5.7
99.04455	62.8
101.02400	3.2
105.07024	15.4
107.08585	17.7
109.02884	31.4
109.06548	3.3
109.10159	24.9
111.04440	8.0
117.07030	8.8
119.08558	14.2
121.10135	20.7
123.08044	2.6
123.11747	13.2
127.03919	100.0
131.08563	9.5
133.10112	12.1
135.11716	13.0
137.09586	2.6
137.13225	3.2
145.04984	15.9
145.10118	6.7
147.11694	5.7
148.04825	2.5
149.02322	2.2
149.13249	7.5
157.10098	3.0
159.11775	6.6
161.13260	6.0
171.11667	3.0
173.13321	6.0
180.08640	3.3
187.14751	2.7
213.16331	2.9
228.91927	2.4
241.19505	2.8
243.21115	7.7
255.90761	2.4
259.20651	4.9
261.22183	22.5
277.21570	7.4
279.22974	5.1
314.39035	2.8
357.24210	3.5
369.24332	7.6
387.25021	5.7
405.26227	7.0
423.27396	32.4
471.56204	2.7
620.33911	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	620.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48394	0.7
60.71301	0.7
61.08741	0.6
71.56204	0.8
82.75266	0.7
85.02876	1.0
91.05425	0.9
91.16983	0.6
119.04939	3.5
134.77776	0.6
135.04419	0.9
147.04419	10.8
148.04729	1.2
163.03871	2.2
165.09093	1.8
184.09932	0.7
199.12259	1.8
200.13055	1.1
218.10471	1.3
219.11426	0.7
241.13434	2.2
243.11400	1.4
251.14185	0.9
258.13776	3.1
259.14468	18.3
278.12817	1.6
279.17319	1.0
284.13895	0.9
290.19916	0.8
292.14386	1.5
292.18030	1.4
293.18774	2.6
303.05038	9.4
304.05307	3.1
305.05621	0.9
306.15924	3.0
307.16830	1.5
308.54147	0.7
310.15549	1.6
320.17511	4.4
321.18286	4.8
322.15488	2.0
324.17038	2.5
334.19067	2.5
336.13428	3.7
336.17010	1.4
337.17764	1.3
350.14984	5.7
351.15741	3.1
352.16214	1.5
352.20248	14.7
362.18839	3.5
364.16644	3.6
365.17383	5.4
366.18021	1.4
380.19720	93.2
381.20071	1.5
382.17346	1.4
382.21454	9.5
384.15582	2.0
393.16818	1.7
396.19043	1.2
399.17914	1.0
408.19397	1.1
410.20792	6.5
412.22522	0.8
426.20251	63.8
427.17563	2.1
428.74493	0.7
441.18750	1.6
456.21362	2.3
509.20694	0.8
563.53845	0.9
590.25012	75.8
591.25409	2.6
620.26080	100.0
621.26959	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63768	0.3
60.40252	0.3
65.27343	0.3
67.05479	0.4
70.70903	1.0
75.32447	0.3
91.05463	0.7
93.07023	0.6
103.67566	0.4
105.01864	0.3
108.08109	1.2
114.28031	0.3
119.04894	0.6
122.06029	0.4
122.09621	1.4
123.09956	0.4
136.07547	1.1
147.04376	0.3
147.18896	0.3
164.07089	4.9
165.09079	1.7
185.10722	0.6
187.84853	0.4
199.12337	4.7
200.13097	4.3
218.10573	0.7
225.10211	0.6
226.11049	1.2
227.08128	0.3
235.10664	1.0
241.10899	0.6
241.13365	13.1
243.11264	0.7
244.12015	0.5
245.12970	0.5
258.13666	4.3
259.14426	100.0
260.14737	1.2
271.10818	0.5
275.14050	0.4
285.12338	6.4
287.10284	0.4
291.15189	0.4
301.54300	0.3
322.15665	0.4
334.19226	0.4
336.13458	0.6
336.17303	0.5
350.15216	1.0
351.15921	0.7
352.20306	1.6
362.18665	0.6
364.16553	1.2
364.20566	0.6
365.17355	1.9
366.18137	1.3
378.18176	0.5
380.19745	9.0
380.24268	0.7
381.20389	0.4
382.21246	67.2
383.21564	0.8
406.17673	1.7
408.19205	3.3
410.21237	0.4
425.19379	2.6
426.20227	34.1
452.18094	3.7
456.21301	58.3
457.21402	0.5
482.19260	11.0
513.60840	0.4
589.26642	8.7
601.26135	0.7
619.27612	38.2
620.27673	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
70.18895	1.4
70.19285	0.8
80.29527	0.4
91.05450	0.7
93.06942	0.5
108.65784	0.4
115.83916	0.4
122.05987	1.1
122.09615	1.5
124.07554	0.5
129.76851	0.5
136.07579	1.2
138.09117	1.0
162.09129	0.5
164.07047	1.1
170.34721	0.5
199.12263	0.8
211.08685	0.9
225.10229	7.1
226.11021	7.0
239.85660	0.5
241.13362	7.2
245.09212	0.6
259.14395	1.5
263.10306	0.6
267.11520	0.5
269.09183	1.8
270.09894	0.6
271.10742	0.8
284.11560	4.5
285.12335	100.0
286.12775	1.2
292.14395	0.7
310.11887	2.2
317.11328	1.4
318.12445	1.1
319.16742	3.5
322.11798	1.5
323.12814	0.5
332.13995	0.8
334.11798	0.7
334.19214	0.9
336.13458	1.3
346.15421	1.5
347.16217	1.8
348.13409	1.3
348.17328	0.8
350.14969	0.9
362.11261	2.3
362.14954	1.3
362.18796	1.7
363.16141	1.3
364.16660	1.3
376.12927	5.0
377.13608	2.5
378.13791	0.8
378.18179	10.4
379.18399	0.6
380.19745	1.5
390.14377	3.4
391.15271	5.7
392.15744	1.1
394.08774	0.5
406.17609	52.1
407.18292	1.7
408.19168	35.6
409.19507	0.9
426.20346	1.3
436.19012	2.1
438.20026	0.6
451.17432	3.3
452.18170	44.8
453.18350	0.6
456.21228	0.7
482.19250	45.5
483.19556	1.2
589.26587	14.5
601.26099	1.2
619.27625	80.7
620.28192	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73541	0.4
52.84266	0.4
53.03928	0.5
54.67131	0.4
55.33323	0.3
60.72807	0.4
67.05477	0.8
70.05724	1.9
81.07051	1.0
85.02893	0.6
86.09708	0.4
91.05440	1.7
93.07018	1.8
94.06540	1.8
95.08588	0.8
105.07014	1.0
106.06533	1.3
107.07346	7.1
107.08562	0.8
108.08149	2.8
109.10180	0.5
120.08085	1.3
121.06517	0.7
121.10142	0.7
122.06030	2.3
122.09678	43.3
123.09994	0.8
135.06819	0.5
136.07581	3.9
138.09122	0.6
140.07080	0.6
147.04433	0.7
148.11174	1.2
150.09161	6.4
163.08548	0.5
164.07083	11.7
168.61905	0.4
176.10751	1.4
177.06499	0.7
179.52351	0.4
179.53915	0.4
181.09792	2.7
185.10709	1.0
186.11514	0.5
188.53964	0.4
191.08180	2.0
199.12343	4.0
200.13113	4.5
201.10132	0.5
202.07219	0.9
202.08826	0.9
203.08170	0.8
204.10220	2.0
213.13812	0.5
213.38873	0.4
217.09743	1.1
218.10464	1.0
219.11278	0.6
220.09755	0.4
225.10266	0.6
226.11015	0.9
230.08212	1.2
235.10695	1.1
239.11656	0.6
241.13377	12.5
243.11316	1.4
244.12088	0.4
245.09349	0.7
245.12949	0.7
248.09138	0.6
258.13620	4.0
259.14444	100.0
260.14856	1.8
261.08734	12.1
261.11526	0.6
271.10797	0.7
272.09259	0.8
275.13919	1.0
285.12378	5.2
287.10193	0.9
289.11853	0.7
292.14349	0.6
293.19073	0.5
299.10626	0.5
305.11517	1.0
306.15939	0.7
307.12918	1.6
320.17590	1.4
321.18469	1.5
322.19357	1.0
331.12906	0.4
334.15723	0.5
336.17111	1.0
338.18579	0.6
343.09201	1.3
346.19131	0.6
350.14948	1.3
351.15671	0.9
352.16431	0.6
352.20331	2.2
362.18646	1.2
364.16617	1.4
365.17288	3.4
366.18182	1.5
380.19739	21.9
381.20074	1.1
382.21274	64.3
383.21664	2.0
390.18176	1.4
393.16977	0.5
398.17181	2.7
406.17496	2.0
408.19330	2.3
410.21100	0.6
418.17764	1.3
425.19324	2.5
426.20248	47.2
427.20792	1.0
428.22083	1.3
436.18668	1.4
438.20135	0.5
452.18195	2.8
454.19736	1.3
456.21341	39.9
457.21503	1.1
464.18021	3.1
470.19312	3.4
482.19357	7.0
555.25952	1.0
573.27368	1.3
589.26587	20.8
590.27277	1.0
591.28113	1.2
601.26416	4.3
619.27631	64.7
620.28247	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75062	2.6
57.03431	3.4
61.02926	3.3
69.03438	15.5
69.86362	17.0
81.03410	10.7
85.02911	27.7
87.00846	16.1
91.72277	3.3
92.13844	2.8
95.01386	4.4
97.02879	14.6
99.04430	4.7
105.01860	9.9
109.02878	15.0
127.03878	21.4
135.04416	13.4
137.06013	3.9
139.03885	3.7
145.02898	9.8
145.04950	7.7
147.04433	10.4
153.05476	100.0
153.06728	5.3
157.84969	2.9
159.02916	6.1
161.06020	4.2
162.55244	2.7
163.03920	98.8
166.44656	3.1
177.03951	5.3
181.04970	4.8
187.03879	2.9
188.38576	3.3
195.06555	43.5
199.03821	2.9
203.03406	48.8
205.05006	5.9
208.58777	3.2
215.03459	7.3
216.40109	3.4
217.04945	4.6
231.02910	4.5
233.04506	5.6
261.03778	6.5
279.05005	26.1
291.04852	14.4
321.06018	6.9
339.07156	57.9
353.08453	3.9
497.92001	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	618.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	2.6
52.14202	2.2
53.03947	7.5
55.01880	3.9
55.05257	3.0
55.05515	45.5
57.07071	6.9
61.39484	2.1
65.03942	5.7
66.93659	2.0
67.05506	28.8
69.03440	15.4
69.07072	14.7
70.16685	7.4
71.04998	8.4
71.08598	1.9
78.04694	1.8
79.05495	32.2
80.23808	1.9
81.03424	2.4
81.07067	45.9
83.04988	17.7
83.08624	59.7
85.06551	7.4
87.04459	2.8
89.06049	2.3
91.05489	58.8
93.07050	63.9
95.04974	33.9
95.08616	27.3
97.06544	19.8
98.21426	2.2
99.04465	4.4
99.08118	2.0
103.05477	5.9
105.07036	100.0
106.07858	2.7
107.04973	7.9
107.08601	65.7
109.06519	18.5
109.10165	21.6
111.08096	7.2
113.09656	9.1
115.05462	9.2
116.06236	2.1
117.07030	22.7
119.08590	86.6
120.09399	4.4
121.06507	11.5
121.10149	50.4
123.08057	20.6
123.11732	6.6
125.09635	19.0
126.01289	1.8
128.06244	15.0
129.07030	23.9
130.07785	10.4
131.08574	47.9
132.09346	6.6
133.06528	4.8
133.10141	48.2
135.08064	14.1
135.11694	12.3
137.09628	6.5
139.11188	14.5
141.06995	12.1
142.07779	26.5
143.08572	47.4
144.09399	13.2
145.06502	6.0
145.10138	74.3
146.07243	4.6
146.10890	4.8
147.08038	16.6
147.11697	25.6
149.09596	12.7
149.13257	3.6
151.07607	2.7
151.11139	2.4
153.07047	4.8
154.07756	4.3
155.08574	27.9
155.10603	13.8
156.09361	24.6
157.10136	64.1
158.07312	2.3
158.10890	7.2
159.08096	14.5
159.11714	35.5
160.08850	11.9
161.09595	16.9
161.13261	6.0
163.11163	9.7
165.07018	9.9
165.09154	4.4
166.07764	4.5
167.08586	15.3
167.10672	19.3
168.09319	7.1
168.11548	2.1
169.10138	32.6
170.10968	10.7
171.11676	32.4
172.12488	3.8
173.09644	9.6
173.13251	14.8
174.10397	2.6
175.11169	13.1
175.14816	4.6
177.12833	2.4
178.07753	3.4
179.08559	14.3
179.10739	2.2
179.14394	4.5
180.09378	7.6
181.10144	16.4
181.12234	25.4
182.10918	13.6
182.12332	1.7
183.11728	24.5
184.12459	6.3
185.09688	5.0
185.13293	16.7
186.14024	2.9
187.11227	7.1
187.14816	6.8
189.12788	6.7
190.13557	3.2
191.08513	3.6
191.10616	2.1
191.14343	7.1
192.09335	6.9
193.10155	17.2
193.11700	2.5
194.10959	8.9
195.11723	30.2
195.13599	3.1
196.12587	10.7
197.09625	4.7
197.11496	3.2
197.13263	39.6
198.14003	6.5
199.11212	7.0
199.14807	14.1
201.12785	5.6
201.16393	3.9
203.14357	7.0
205.10150	4.0
206.10942	6.0
207.11729	16.9
207.13849	5.7
208.12462	8.1
208.14462	5.1
209.13330	25.8
209.15208	3.2
210.10678	2.1
210.14044	8.4
211.11266	2.3
211.14841	18.1
212.15625	3.4
213.12781	9.6
213.16353	4.5
215.08638	2.2
215.14282	16.6
217.10159	2.2
217.12274	1.9
217.15817	3.5
218.16690	3.7
219.11737	9.8
220.12457	5.3
221.13237	16.2
221.15414	17.9
222.14079	4.4
223.14813	17.4
225.12746	7.0
225.14896	19.5
225.16817	3.0
227.14348	7.3
230.16708	2.1
231.11673	6.1
231.17465	3.5
231.19638	2.0
232.12476	4.4
233.13263	6.5
233.15381	39.5
234.14067	3.4
234.16159	4.6
235.14825	11.0
235.16888	2.9
237.03160	1.9
237.12721	2.5
237.16548	13.5
239.14352	3.8
239.18021	3.5
241.15819	3.0
243.11813	3.0
245.13297	5.7
246.13982	4.3
246.16212	3.6
247.14793	6.6
247.17024	5.4
249.16444	9.3
251.17940	5.7
253.15912	3.0
253.19531	3.1
255.17468	28.7
257.13284	3.5
257.19122	4.3
259.14691	5.7
260.15558	3.2
261.16345	9.2
262.17111	3.6
263.17975	8.0
265.19537	4.6
268.18228	3.4
269.18988	5.3
270.19803	7.7
271.20633	6.3
273.16037	3.9
273.18741	3.8
275.17996	5.8
277.19437	5.9
281.19028	5.4
282.19778	6.1
283.20355	3.2
285.18732	4.2
285.21783	2.5
286.19351	4.9
287.20013	5.8
289.19501	5.4
295.20529	3.4
299.20139	5.1
307.20428	3.8
309.22360	2.9
311.20139	4.0
313.21881	3.0
319.20911	2.6
329.22458	3.1
331.24484	3.0
333.22147	2.3
335.23730	2.7
337.25436	6.5
347.23611	5.1
349.25214	5.8
360.24240	3.2
361.25137	2.6
365.24768	8.2
367.26340	5.2
371.23740	2.2
383.26022	12.2
399.27087	3.8
401.28549	2.2
414.29239	4.0
429.31195	2.8
457.31226	4.6
582.40601	5.8
600.41541	6.4
618.42615	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	618.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16693	1.7
51.02369	2.8
53.03936	6.1
55.01866	4.6
55.05262	2.9
55.05514	47.4
57.03417	1.5
57.07084	7.8
59.05000	2.8
65.03934	5.9
67.05174	1.9
67.05511	30.6
69.03431	13.4
69.07073	20.5
69.32275	4.8
69.32696	9.9
71.04996	8.4
79.05058	2.3
79.05499	37.7
80.06293	2.0
81.03431	1.6
81.07065	56.4
83.04987	18.1
83.08144	3.6
83.08625	66.2
85.06548	7.8
86.63013	1.6
87.04454	3.6
91.05487	58.3
92.06253	2.2
93.07052	67.0
94.07838	2.2
95.04973	33.0
95.08611	37.1
97.06541	27.3
97.10162	2.4
99.04400	3.3
103.05454	4.4
105.04510	1.7
105.07039	100.0
107.04955	7.1
107.08601	72.4
107.90655	1.6
109.06538	16.3
109.10158	27.9
111.08102	8.9
113.09641	11.1
115.05460	7.5
116.06229	4.5
117.07035	25.0
119.04961	1.9
119.08588	88.7
121.06535	13.8
121.10148	59.3
123.08080	23.1
123.11688	7.3
125.09636	20.7
127.07517	1.7
128.06238	13.4
129.07016	23.1
130.07817	11.5
131.08578	56.0
132.09329	5.4
133.06482	5.2
133.10144	52.7
134.10941	3.7
135.08044	14.1
135.11708	12.3
137.09593	7.4
139.11212	12.6
141.07019	11.2
142.07790	31.8
143.08572	49.7
144.09373	17.4
145.06503	8.9
145.10132	81.1
146.07230	2.0
146.10876	2.6
147.08057	14.1
147.11716	19.9
149.09636	17.6
149.13255	3.2
151.07468	3.0
151.11163	3.3
153.06966	4.5
153.09158	2.3
154.07738	4.1
155.08591	21.2
155.10619	13.2
156.09352	23.5
157.10136	62.2
158.10944	12.3
159.08078	16.4
159.11699	36.9
160.08842	14.7
161.09625	13.1
161.13251	5.6
163.11156	7.7
165.07066	8.1
165.09135	1.9
165.12791	2.2
166.07793	4.6
167.08624	14.5
167.10687	20.9
168.09322	7.7
169.10150	34.6
169.11691	2.3
169.12245	3.1
170.10947	9.5
171.08064	2.9
171.10187	4.0
171.11685	41.0
172.08775	2.9
172.12379	3.5
173.09627	11.3
173.13280	19.8
174.10410	2.2
175.11166	13.4
175.14832	3.9
178.07780	3.4
179.08568	12.6
179.10735	2.7
179.14311	6.6
180.09314	7.3
181.08656	3.0
181.10120	25.6
181.12230	26.0
182.10948	18.4
183.08151	2.0
183.11711	32.9
183.13538	3.1
184.12422	6.7
185.09573	5.3
185.13271	20.6
186.10355	2.1
186.14037	4.9
187.11176	7.4
187.14815	6.7
189.12695	9.1
190.13495	7.0
191.08537	2.2
191.14432	10.4
192.09348	4.3
193.10135	21.0
194.10931	10.7
195.11716	28.7
196.12466	13.1
197.09608	3.0
197.13280	41.2
198.14030	4.4
199.11163	7.1
199.14810	14.8
200.15616	2.0
201.12778	6.5
201.16385	3.7
202.13373	1.7
203.14230	7.8
205.10114	5.7
206.10899	8.6
207.11688	20.3
207.13716	4.7
208.12460	8.1
208.14374	2.7
209.13280	25.5
209.15186	2.0
210.14001	5.9
211.11211	3.5
211.14842	20.8
212.15642	2.6
213.12827	10.8
213.16351	7.9
215.14343	20.0
217.10094	3.4
217.15869	5.5
218.10829	4.5
218.16605	2.8
219.11662	6.8
220.12495	6.7
221.13235	15.9
221.15379	22.2
222.13972	5.5
223.11147	3.1
223.14810	19.3
224.15544	2.4
225.12714	6.0
225.14842	14.6
225.16521	6.6
227.14270	7.1
227.17932	2.2
229.10367	2.6
229.15877	4.7
231.11682	5.2
231.17455	3.0
232.12553	3.8
233.13245	9.8
233.15358	45.4
234.13992	4.5
234.16129	4.2
235.14810	12.1
235.16888	2.9
236.15668	2.3
237.12784	2.9
237.16524	13.9
238.17145	2.4
239.14337	3.9
239.17944	3.4
241.16028	3.7
243.11572	2.6
243.17339	2.3
244.12289	2.1
245.13179	7.9
245.15445	2.2
246.13969	3.1
246.16258	3.6
247.14781	8.8
247.16965	4.8
248.15617	2.3
249.16299	9.7
250.17155	2.7
251.17865	6.2
253.15944	4.5
253.19501	3.3
255.17455	39.6
257.19113	3.2
259.14792	4.9
259.17175	2.1
260.15506	2.9
261.16412	7.9
262.17154	2.5
263.17963	9.4
265.16229	2.1
265.19589	6.6
267.17325	4.7
268.18271	4.6
269.19046	6.4
270.19772	10.2
271.17151	3.1
271.20346	3.6
273.16043	4.1
273.18536	7.4
274.17093	2.3
275.17953	7.7
277.19495	4.7
279.17447	3.1
279.21033	2.6
281.18994	5.8
282.19730	5.7
283.20578	5.1
284.21442	1.7
285.18448	6.1
286.19476	3.1
287.20093	5.0
289.19485	4.6
293.19064	3.9
295.20486	3.6
296.56186	1.7
299.20135	7.9
301.19440	2.2
305.19046	2.5
305.22333	2.0
307.20572	5.0
309.22159	3.1
311.19940	5.3
313.21603	2.4
315.21207	2.6
320.14197	2.1
331.24197	2.7
334.23013	3.0
337.25217	5.9
340.23947	1.8
345.22150	2.6
347.23792	3.7
349.25293	4.3
352.23477	1.7
360.24661	2.9
365.24887	9.0
367.26059	5.3
375.26862	2.0
383.25818	17.7
414.29141	3.2
429.32104	2.2
457.31158	4.1
490.34451	2.7
582.40826	2.9
585.39545	2.3
600.40887	3.0
618.43079	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	618.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.8
54.65837	5.0
55.05520	51.5
57.07070	14.0
59.29863	5.5
67.05516	33.2
69.03435	9.4
69.07064	23.7
70.14935	6.6
70.15269	19.5
71.04984	11.5
71.22039	5.0
74.88692	4.8
79.05499	36.4
81.07063	65.8
83.04988	13.8
83.08622	70.1
85.06543	16.3
87.03986	7.3
87.04478	77.6
91.05495	53.4
93.07051	67.6
95.04970	25.5
95.08629	32.8
97.06527	25.1
99.04435	9.2
105.07043	100.0
107.04974	10.1
107.08607	66.5
109.06547	14.0
109.10152	35.3
109.74875	5.0
111.08073	10.8
113.09691	9.6
115.05516	8.3
117.07030	22.7
119.08594	77.2
121.06507	7.9
121.10147	46.8
122.99778	5.6
123.08085	33.9
123.11732	5.7
125.09634	19.9
128.06273	10.9
129.07008	25.0
131.08585	41.4
133.10181	44.4
135.08070	10.1
135.11722	14.7
137.09613	13.6
139.11224	10.3
141.07033	14.4
142.07805	25.7
143.08585	50.7
144.09358	15.8
145.06487	7.7
145.10132	78.3
147.08037	14.0
147.11755	30.9
149.09677	13.4
155.08554	20.9
155.10684	24.5
156.09360	19.6
157.10152	75.6
158.10898	16.0
159.08089	6.3
159.11708	37.8
160.08897	18.4
161.09747	7.5
161.13300	8.5
163.11240	6.5
165.07022	8.7
165.09207	6.5
165.12758	6.3
167.08563	7.3
167.10757	6.5
168.09390	6.9
169.10141	34.9
170.10849	6.2
171.10330	9.9
171.11659	34.8
172.12332	7.9
173.09674	8.8
173.13286	20.8
175.14883	12.4
179.14310	10.4
181.10138	11.0
181.12256	20.2
182.10939	12.0
183.11734	26.3
185.13297	19.8
187.14883	7.2
189.12787	10.0
193.10147	13.5
194.10863	7.0
194.16132	5.4
195.11749	33.7
196.12450	8.5
197.13245	31.5
199.14836	15.1
203.14464	7.9
206.11011	6.2
207.11736	18.4
207.13734	12.9
208.12270	7.1
209.13339	27.5
211.14882	24.1
213.16397	6.6
221.13379	12.2
221.15378	24.9
223.14919	15.5
224.15816	6.5
225.14742	29.6
233.00633	5.7
233.15379	19.3
234.16133	13.1
235.14938	13.3
239.94357	5.4
246.16176	7.4
247.14732	7.5
249.16335	6.6
261.16406	6.2
271.16656	6.5
273.18796	6.0
287.20081	5.9
325.21570	6.2
538.36719	12.8
538.74426	6.0
600.42761	7.1
618.43152	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	618.428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.1
55.01875	2.1
55.05512	19.7
57.07076	10.7
59.04992	1.3
59.15624	1.2
67.05502	12.5
67.17883	1.3
67.61654	1.4
69.03417	6.2
69.07066	5.3
69.33437	5.6
69.33859	6.8
71.04975	4.2
79.05489	18.5
80.06236	1.4
81.03399	2.1
81.07056	23.5
83.04972	6.3
83.08623	29.6
85.06523	5.5
85.44568	1.3
87.04465	20.8
91.05486	28.4
93.07053	32.7
95.04978	15.6
95.08612	17.5
97.06561	8.7
98.20691	2.6
99.04447	4.5
103.05450	1.8
105.07038	45.1
107.08602	29.5
109.06509	10.9
109.10142	7.6
111.08094	3.2
113.09592	2.9
115.05441	2.3
117.07015	14.1
119.08587	47.2
120.09372	2.9
121.06504	9.0
121.10147	17.7
122.07304	1.9
123.08063	16.3
123.11716	2.4
125.05988	3.2
125.09667	7.2
128.06218	5.3
129.07010	10.8
130.07765	5.1
131.08572	30.6
132.09286	2.8
133.06493	2.1
133.10138	22.5
135.08057	11.7
135.11652	4.0
137.09642	8.7
139.07532	1.8
139.11185	5.1
141.06973	5.5
142.07788	11.7
143.08578	28.3
144.09367	10.3
145.06462	3.5
145.10130	46.3
145.11276	2.2
146.10947	1.8
147.08058	18.5
147.11667	9.5
149.09579	9.6
151.07549	8.4
153.06972	1.7
155.08560	9.1
155.10667	3.2
156.09335	9.7
157.10130	39.9
158.10901	6.2
159.08035	5.6
159.11697	19.5
160.08878	11.8
161.09610	8.9
161.13223	4.3
163.11176	9.6
165.09123	24.4
165.12666	2.0
167.08524	4.1
167.10690	2.9
168.09312	2.1
169.10167	14.4
170.10873	4.3
171.10239	2.4
171.11684	18.9
172.12456	7.4
173.09608	6.5
173.13268	7.9
175.11253	10.9
175.14806	1.6
177.09015	2.6
177.12764	3.7
179.08545	4.9
179.14267	1.8
180.09421	2.6
181.10121	8.7
181.12210	12.3
182.10905	3.6
183.11699	15.5
184.12466	2.7
185.09596	3.8
185.13232	9.1
187.11142	8.1
187.14848	3.0
189.12770	6.4
190.13539	6.3
191.10652	2.7
191.14378	3.6
192.09232	1.6
193.10117	5.5
193.12268	7.3
194.10875	4.7
195.11691	11.1
195.13557	2.6
196.12454	4.7
197.09564	1.7
197.13284	12.4
199.11200	5.5
199.14850	3.4
200.12013	1.7
200.15575	1.7
201.12666	4.9
203.14363	10.1
206.10828	1.7
207.11716	6.1
207.13821	9.3
208.12656	3.0
208.14560	15.7
209.13322	12.9
209.15190	2.3
210.13971	3.0
211.11168	3.5
211.14790	5.8
212.15576	1.9
213.12689	5.1
213.16331	1.5
215.14279	2.2
219.13803	4.1
221.13307	6.4
221.15355	56.5
222.15869	2.2
223.14809	6.0
224.15561	4.6
225.12790	3.0
225.14516	7.4
227.17964	1.9
231.13853	4.5
233.13275	2.9
233.15367	7.7
234.16185	15.9
235.14841	3.5
237.12698	4.8
237.16422	3.4
243.17343	1.8
245.81874	1.6
246.16180	1.7
247.17001	9.3
249.16463	3.7
251.14301	3.0
251.18040	2.0
263.18121	2.6
267.17517	1.9
269.19101	3.2
271.17041	2.7
273.18616	3.1
274.19284	3.1
285.18649	2.1
286.19293	5.5
287.20090	43.7
297.18512	3.3
298.19250	2.0
299.20065	9.7
300.21048	2.0
303.19592	3.0
310.19403	3.2
311.19995	2.8
312.20850	3.3
313.21515	4.8
319.20615	1.8
325.21628	14.1
329.21133	4.4
337.21606	9.0
339.23178	4.9
352.23944	77.1
353.24307	4.3
365.24701	13.6
367.26355	2.5
378.25339	2.4
391.26205	2.1
395.25769	5.1
440.29431	1.8
458.30408	1.7
472.31622	6.7
475.33011	2.5
520.35217	3.6
524.33685	1.4
525.35986	10.9
538.36548	100.0
539.36890	2.4
618.42639	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	618.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.4
53.85239	2.8
55.01863	6.8
55.05513	50.2
55.72478	2.5
57.07066	9.5
58.96477	2.4
60.42822	2.4
61.34362	3.3
63.00023	3.1
65.03942	6.6
67.05505	29.9
69.03428	10.8
69.07076	16.5
71.04983	9.5
71.57608	3.1
74.07865	2.8
79.05503	39.3
81.06590	3.1
81.07065	50.2
83.04987	18.4
83.08624	59.4
85.06501	6.0
87.04479	5.1
90.90779	2.8
91.05482	60.8
92.60615	3.9
93.07054	70.7
95.04976	34.1
95.08616	35.2
97.06535	21.0
99.04453	5.4
103.05476	7.3
105.07035	100.0
107.04937	5.4
107.08604	74.5
109.06521	16.6
109.10165	28.2
110.10469	3.8
111.08077	6.0
113.09621	11.0
115.05468	7.6
117.07014	24.5
119.04935	3.9
119.08585	87.8
121.06525	13.6
121.10138	48.1
123.08060	25.2
123.11697	7.8
125.05961	4.0
125.09657	18.2
127.97921	3.3
128.06198	16.8
129.07018	22.9
130.07793	8.3
131.08572	57.6
131.82588	3.7
133.06490	8.9
133.10136	47.6
135.08069	18.5
135.11673	10.8
137.09595	8.9
139.11200	14.4
141.07007	11.9
142.07794	28.0
143.08571	50.9
144.09308	11.7
145.06480	6.7
145.10132	77.3
146.10934	5.1
147.08040	20.1
147.11687	22.8
149.09605	15.1
153.06979	3.1
154.07777	3.6
155.08560	21.5
155.10588	14.1
156.09352	24.1
157.10150	68.5
158.07166	2.7
158.10902	9.8
159.08070	17.4
159.11693	35.5
160.08827	12.9
161.09622	12.2
161.13251	8.2
163.11194	10.0
165.06979	8.5
165.09119	8.8
166.07840	3.9
166.24854	2.9
167.08578	12.2
167.10655	16.2
168.09309	10.0
169.10143	33.7
170.10895	11.9
171.08090	4.0
171.10164	6.9
171.11678	44.5
172.12334	6.1
173.09618	8.5
173.13281	21.1
175.11172	17.8
175.14838	7.0
177.12737	5.0
178.07780	4.3
179.08493	13.7
179.14420	5.7
180.09305	10.6
181.10149	22.2
181.12236	25.8
182.10902	14.5
183.11710	28.4
184.12497	7.8
185.09694	6.5
185.13225	21.7
187.11316	5.8
187.14821	7.1
188.11902	3.9
188.20030	3.5
189.12813	7.9
190.13487	3.9
191.14310	8.3
192.09364	7.0
193.10132	12.0
193.12254	2.8
194.10951	11.8
195.11703	25.7
195.13316	4.0
196.12479	10.7
197.13237	36.3
198.14063	4.4
199.11206	9.0
199.14832	12.3
201.12761	5.0
203.14333	9.8
205.10126	3.4
206.10791	4.4
207.11714	16.4
207.13765	8.6
208.12445	7.3
208.14439	6.2
209.13278	25.7
209.15195	5.0
210.13972	4.9
211.11165	3.8
211.14841	23.5
213.12715	8.8
213.16396	7.2
215.14349	21.7
217.10153	3.7
217.15837	4.0
219.11739	5.5
220.12517	5.6
221.13208	12.5
221.15395	31.8
222.13974	4.9
223.11264	3.8
223.14755	17.7
225.12784	6.7
225.14799	10.1
225.16600	6.9
227.14355	11.0
229.15752	5.5
231.11740	3.7
231.17511	3.2
232.12405	5.1
233.13150	8.2
233.15326	42.9
234.16069	7.0
235.14772	10.1
237.16353	9.7
239.14343	5.0
239.17996	5.2
243.17540	3.5
245.13173	6.3
246.16161	4.9
247.14740	5.3
247.16898	7.9
249.16420	9.7
251.18121	3.8
255.17421	32.0
259.14764	5.3
260.15607	3.7
261.16345	7.8
263.18039	7.3
265.19525	5.5
267.17426	3.9
268.18195	4.1
269.18893	6.6
270.19711	8.0
273.18701	3.5
275.17996	5.3
277.19238	4.0
281.18973	5.0
282.19812	3.2
283.20587	3.8
286.19391	7.6
287.19992	13.2
289.19473	5.3
295.20596	3.3
299.20111	11.9
313.21524	5.1
325.21793	4.8
337.25113	3.9
347.23758	4.7
349.24921	3.4
352.23962	21.6
365.24805	14.1
383.26062	13.4
429.31485	3.3
457.31403	3.5
538.36566	30.9
576.90662	3.6
582.40570	4.5
600.41772	5.1
618.42395	12.6
631.29993	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	618.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92970	1.0
53.03946	2.7
53.59066	0.9
55.01873	2.6
55.05518	21.6
57.07077	10.7
59.05008	2.5
59.78521	0.9
65.03444	0.9
65.03910	1.8
67.05504	15.2
69.03441	6.3
69.07076	6.4
69.34331	9.7
71.04984	3.5
79.05498	19.7
81.03425	1.6
81.06577	1.5
81.07061	29.7
83.04984	8.2
83.08624	31.0
85.06554	4.9
86.01980	1.1
87.04475	23.9
91.05481	27.5
93.07057	32.3
95.04967	17.5
95.08615	18.9
97.06537	9.4
99.04456	2.7
103.05480	3.1
105.07034	50.2
107.04936	3.0
107.08596	27.5
109.06523	12.4
109.10172	9.1
111.04475	1.2
111.08094	3.7
113.09663	2.9
115.05445	2.7
117.07034	12.9
119.04981	1.7
119.08585	47.6
120.09438	2.6
121.06521	10.0
121.10147	19.7
123.08075	16.1
123.11713	1.2
125.05996	3.2
125.09598	5.8
128.06247	5.8
129.06999	13.7
130.07860	5.4
131.08572	28.6
132.09398	2.5
133.06520	2.8
133.10132	25.4
133.11075	1.9
134.10913	2.0
135.08064	13.5
135.11703	5.0
137.05988	1.7
137.09601	10.8
139.11179	4.9
141.06993	5.2
142.07793	10.8
143.08580	24.0
144.09351	9.9
145.06482	3.7
145.10132	42.5
146.10858	2.1
147.08058	16.4
147.11699	8.2
149.09607	10.2
150.10365	1.8
151.07535	8.2
151.11234	1.7
153.09085	1.4
154.07832	1.8
155.08568	9.0
155.10602	2.3
156.09361	10.8
157.10136	38.5
158.10925	7.1
159.08076	7.8
159.11697	21.1
160.08867	10.0
161.09633	9.1
161.13242	5.9
162.10361	2.1
163.11185	7.4
165.09123	24.3
166.07826	1.5
167.08571	5.2
167.10637	1.8
168.09335	2.8
169.10112	14.3
170.10948	6.2
171.10260	1.8
171.11682	20.0
172.12474	5.7
173.09695	6.5
173.13307	10.0
175.11214	11.9
175.14838	1.7
176.12012	2.1
177.09102	2.3
177.12764	2.3
179.08585	4.1
179.14299	2.9
180.09337	1.7
180.11546	1.5
181.10165	5.5
181.12224	12.1
182.10904	5.5
183.11719	16.1
183.13599	1.6
184.12494	3.5
185.09686	1.4
185.13258	9.8
187.11090	7.0
187.14838	4.2
189.12766	6.8
190.13547	5.8
191.10706	2.2
191.14307	3.9
192.09294	1.9
193.10159	4.5
193.12244	7.5
194.10893	3.9
194.12875	1.6
195.11705	10.6
195.13559	2.0
196.12500	3.4
197.09653	2.0
197.13243	12.8
198.10422	2.3
199.11212	4.9
199.14780	2.7
201.12726	4.4
203.14326	12.5
205.10300	1.5
205.12244	2.6
206.10844	1.5
207.11710	6.4
207.13823	7.6
208.12578	2.6
208.14587	12.4
209.13283	11.3
209.15184	1.6
210.13916	1.5
211.11205	3.4
211.14841	7.1
212.12038	1.6
213.12714	5.2
215.14215	2.0
217.12363	1.6
218.10867	1.5
219.13858	3.4
220.12566	1.2
221.13269	4.9
221.15353	53.4
223.11201	1.6
223.14783	5.3
224.12141	1.3
224.15602	3.3
225.12816	2.1
225.14850	12.5
225.16188	1.8
227.14330	2.4
227.17908	2.8
229.15871	2.4
231.11659	1.4
231.13800	4.0
231.17311	1.5
233.13315	2.8
233.15369	8.2
234.16156	11.9
235.14799	3.0
237.12750	3.7
237.16437	3.1
239.14348	2.4
241.12189	1.4
241.15837	2.3
245.15370	2.0
247.17007	9.1
248.17822	1.5
249.12646	1.5
249.16451	1.7
251.14336	1.4
251.17914	2.5
253.15868	2.9
260.17636	2.1
261.16174	1.4
263.14349	2.3
263.18051	1.8
265.15836	1.8
267.17551	2.6
269.19046	3.1
271.16962	2.2
273.18607	3.1
274.19308	2.6
277.15671	1.2
279.17450	2.6
281.18893	2.0
285.18530	1.6
286.19327	6.1
287.20068	49.5
297.18588	2.9
299.20096	10.5
300.20923	3.2
303.19675	3.5
309.18521	2.0
309.21667	1.7
310.19370	1.6
311.20099	2.6
312.20871	4.6
313.21680	3.2
319.20529	2.5
325.21750	11.9
329.21182	3.8
337.21570	9.7
339.23276	4.7
352.23972	69.7
353.24622	3.6
365.24695	13.7
367.26297	3.4
375.26822	1.2
391.26361	2.3
395.25806	6.3
433.30539	1.4
438.31110	3.3
440.28928	1.3
472.31693	5.7
480.32376	3.3
524.35193	1.6
525.35938	9.2
538.36548	100.0
539.36615	2.4
600.41144	1.4
603.40863	1.6
618.42627	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	618.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.4
55.01873	5.7
55.05510	8.2
57.03437	2.1
57.07073	1.7
58.44955	0.9
59.05000	1.1
61.02927	2.3
67.05505	3.8
69.03433	8.2
69.07079	6.6
69.76340	5.5
70.58025	0.8
71.04991	3.5
73.02900	2.3
79.05494	4.2
81.03444	8.1
81.07062	14.8
83.04984	1.1
83.08634	10.5
85.02915	16.9
85.06546	2.4
87.00827	7.6
89.17004	1.2
91.05486	3.7
93.07055	9.3
95.04958	1.3
95.08616	10.4
97.02901	13.3
97.06532	1.0
99.04482	5.7
102.72498	0.9
105.01862	4.6
105.07028	8.5
107.07347	1.3
107.08595	13.8
109.02884	9.3
109.06498	3.1
109.10143	4.8
111.08084	11.1
112.56145	0.9
113.06042	2.6
115.03961	1.2
116.10810	0.9
117.01861	2.3
117.07028	1.4
119.08601	3.8
121.06523	1.0
121.10145	8.7
122.09695	6.6
123.08074	7.0
123.11723	14.5
125.09652	7.4
127.03941	13.4
127.07558	12.3
129.01857	1.2
131.08554	2.2
133.10150	3.9
135.08084	7.2
135.11740	4.7
137.09637	5.1
137.13303	1.2
139.11176	1.1
145.05000	5.9
145.10117	7.4
147.11699	8.6
149.09595	1.9
149.12164	1.8
149.13261	17.4
151.07562	1.8
151.11148	4.2
153.09116	100.0
157.10167	1.5
159.02913	4.8
159.11708	4.5
161.09677	1.3
161.13246	1.4
163.11194	15.6
164.07086	1.2
165.09145	10.4
165.12752	8.7
171.10165	5.2
171.11557	1.7
173.13275	2.7
175.14844	1.2
181.12274	1.6
183.11693	1.8
183.13785	2.9
199.14786	1.3
201.12750	2.0
205.12022	1.0
207.14145	1.1
209.15390	0.9
215.14301	2.1
225.68077	1.1
229.15965	2.3
229.19547	0.9
231.05046	1.8
232.82082	1.0
239.17960	2.8
257.19028	10.4
275.20081	49.0
275.33405	1.3
276.06119	0.9
292.64792	1.1
293.21127	76.2
299.20044	9.3
317.21085	7.8
335.22208	23.1
353.23239	38.1
415.48114	1.0
541.26312	1.1
572.24530	1.0
601.28003	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71088	1.8
53.03947	2.5
55.05516	18.1
57.03440	4.4
57.07071	7.3
58.28901	2.0
60.39524	1.7
66.61057	1.7
67.05508	43.9
67.21375	1.6
69.07063	19.4
69.90822	6.8
69.91241	3.4
71.05003	2.5
71.08636	3.8
71.21056	1.8
79.05499	23.9
81.07065	51.7
83.08619	12.8
85.06561	2.4
89.06037	6.0
91.05482	18.6
93.07047	28.1
95.08611	42.0
97.10181	9.2
98.21526	1.8
105.07025	17.6
107.08601	25.9
109.10165	21.8
117.07050	6.4
119.08601	26.6
121.10168	18.0
123.11736	8.5
125.78097	1.7
129.07024	2.8
131.08594	14.3
133.08641	2.9
133.10135	14.0
135.11719	11.4
143.08556	3.5
145.10175	9.6
147.11707	10.5
149.13304	7.4
155.08638	2.4
157.10136	4.4
159.11748	9.2
161.13301	8.0
163.14833	3.1
167.85022	2.8
171.11690	2.3
173.13301	6.9
175.14934	4.8
177.16389	2.7
185.13350	2.1
187.14909	3.3
201.16350	2.2
203.18115	2.1
215.17998	2.1
219.21222	1.6
225.25697	1.8
231.21158	2.0
243.21292	2.6
259.20599	4.4
261.22217	6.9
267.21237	2.8
285.22244	2.9
287.23709	1.9
333.24692	2.1
335.25949	8.1
337.27463	11.7
339.29111	2.8
523.45190	4.4
541.45837	4.4
550.36090	1.9
597.48810	12.8
615.49896	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.8
55.01865	11.1
57.03434	9.0
61.02919	8.6
62.56367	2.7
68.99802	11.1
69.03441	21.6
73.02928	6.7
79.05524	2.9
81.03425	13.8
85.02913	78.2
87.00836	30.1
91.05488	11.3
93.07058	2.7
95.04936	3.3
97.02916	22.9
99.04467	9.1
103.03947	33.3
105.01860	15.5
105.07030	12.2
107.04964	21.5
107.08607	7.7
109.02877	14.5
115.05483	9.1
117.07037	26.4
119.04925	6.1
121.06506	9.0
122.09674	9.8
125.17927	2.7
127.03934	27.1
129.01889	14.9
129.07033	4.6
131.04938	5.7
131.08575	6.9
133.06493	23.4
135.08057	18.8
136.07440	2.9
141.07019	8.6
144.05696	6.3
145.04988	8.6
145.06500	43.4
145.10173	2.7
146.05957	2.7
147.02910	12.7
147.04425	21.5
147.08040	6.5
148.76178	3.1
149.05974	4.7
151.07550	15.5
153.07053	5.5
155.08534	5.9
157.06516	21.2
158.07330	5.3
159.02963	4.7
159.08076	10.7
161.06036	12.3
163.07561	100.0
165.07057	7.9
169.06540	12.0
171.02939	3.0
171.08084	10.6
173.06023	4.7
173.09624	4.9
175.07590	5.1
183.08107	14.6
185.05989	3.9
187.07568	55.1
189.03957	52.2
199.07628	4.8
201.09149	9.7
207.08121	4.4
211.07542	27.1
217.08641	2.7
220.09764	3.5
229.08611	55.1
231.05063	5.2
235.07600	5.0
241.08771	3.2
253.08612	9.6
261.08621	14.2
271.09879	3.2
277.08719	5.2
283.11740	5.9
295.09793	3.2
313.08243	3.3
315.08585	5.4
333.09692	7.6
357.10001	3.0
369.11841	33.8
373.58725	3.0
470.18439	2.8
480.17508	6.1
565.74640	2.6
617.26025	6.3
628.95630	3.3
633.26849	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	615.4412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41861	3.7
52.17549	3.7
53.03953	6.7
55.01878	4.2
55.05510	17.0
57.07076	12.7
59.04999	16.7
67.05499	35.9
69.03417	8.5
69.07063	19.6
69.37885	32.3
71.41356	3.8
79.05489	29.6
81.07068	40.4
83.04993	8.5
83.08624	10.2
85.06551	20.1
89.06092	6.0
91.05479	47.2
93.07047	61.0
95.04961	13.2
95.08611	50.5
95.51453	4.1
97.06554	6.7
103.05506	5.2
105.07036	69.6
107.08601	53.3
109.06513	13.1
109.10148	25.3
111.08076	9.6
115.05476	5.9
117.07032	11.8
119.08585	95.1
121.06493	6.8
121.10148	41.0
123.08066	41.9
123.11715	8.8
125.06035	6.5
125.09646	17.1
128.06209	8.1
129.06992	8.0
129.66408	4.0
130.07782	5.4
131.08586	42.4
131.36546	4.8
133.06509	4.5
133.10124	58.6
135.08060	12.1
135.11731	22.3
137.09613	18.8
142.07784	15.7
143.08626	25.6
144.09271	8.6
145.10121	50.4
147.08038	19.2
147.11694	23.8
149.09622	18.8
149.13301	10.0
151.07544	42.7
151.11179	11.3
153.06932	5.2
155.08595	8.1
156.09323	14.4
157.10150	28.3
158.10925	5.5
159.08063	7.0
159.11717	35.8
161.09612	15.8
161.13251	12.7
163.11208	14.2
165.09123	36.3
167.08627	5.5
169.10197	12.2
171.11676	18.0
173.13298	19.5
175.11284	6.8
175.14894	22.7
177.11305	5.2
177.12737	7.6
179.08644	6.9
181.10124	10.4
181.12250	11.2
182.10905	7.6
183.11719	17.7
185.13263	9.9
187.11243	8.9
187.14867	8.5
189.12784	14.6
191.14322	8.1
193.10233	7.1
193.12262	5.4
195.11667	9.4
197.13292	16.4
199.14822	5.2
201.16432	4.7
203.14319	18.2
205.10028	5.6
207.11961	6.6
207.13802	23.6
209.13255	12.6
211.13229	9.5
221.13345	8.9
221.15338	95.7
223.14848	8.3
223.16939	12.4
225.16295	8.5
235.14798	6.9
247.14641	5.0
251.16301	4.8
263.17896	4.7
299.19913	7.2
301.21701	4.1
349.73700	4.3
375.26825	9.1
403.29712	5.6
469.89102	4.2
491.35120	10.1
565.40393	5.2
583.41614	30.2
597.42419	16.6
615.44159	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52824	3.0
53.03938	3.2
55.05503	11.7
57.07071	10.8
59.05019	3.1
67.05506	11.4
67.62653	2.5
69.03441	7.3
69.07080	6.3
71.05012	3.6
71.18710	5.0
79.05493	10.4
81.07057	17.1
83.04987	8.5
83.08596	3.5
85.06580	5.7
89.06023	6.1
90.31094	2.6
91.05479	20.4
92.06300	2.6
93.07049	24.1
94.07427	3.4
95.04961	31.3
95.08607	17.0
97.06542	7.9
99.23365	2.6
105.07034	33.5
107.08572	16.7
109.06547	8.8
109.10191	6.6
115.05474	3.6
117.07053	7.8
119.08588	31.1
121.06517	12.9
121.10104	13.8
123.08080	30.4
125.05997	9.8
128.06285	3.8
129.06995	6.9
130.07808	4.0
131.08559	14.1
133.08641	6.0
133.10117	18.6
135.08061	12.1
135.11702	4.7
137.09653	10.7
139.07626	3.3
141.06926	3.4
142.07837	5.3
143.08598	12.3
144.09357	4.8
145.10124	26.2
147.08040	22.8
147.11739	6.1
149.09644	7.9
151.07562	32.8
155.08598	6.0
156.09323	8.5
157.10172	19.3
158.10962	3.9
159.08130	5.6
159.11664	15.8
161.09691	13.0
161.13298	4.6
163.00360	3.1
163.11168	21.5
165.09113	40.3
169.10172	6.1
171.11745	12.0
173.09691	9.6
173.13324	8.3
175.11273	6.1
177.09163	3.4
179.08662	3.7
181.10165	4.2
181.12283	25.5
183.11702	8.1
185.09715	4.5
185.13301	4.5
185.68126	3.3
187.11192	8.3
189.12848	10.3
193.08597	5.6
194.10933	3.3
195.11678	6.9
197.09666	4.6
197.13254	6.4
199.11224	8.7
199.14964	4.4
201.12726	4.6
203.14325	15.6
207.12044	3.3
207.13860	14.8
209.13327	6.6
211.11305	3.8
213.12750	6.5
214.18234	2.9
215.14281	3.0
221.15387	65.1
227.14314	4.7
229.12297	2.9
237.12694	3.5
243.14069	2.7
244.24477	2.9
247.16997	6.8
249.14961	8.1
262.08881	3.2
263.16537	2.9
271.17163	4.8
285.18576	3.7
286.19366	8.1
287.20416	6.0
297.18497	4.5
299.20111	5.9
312.20877	18.7
313.21674	7.5
315.19342	3.9
366.25757	4.4
381.24301	5.4
407.25952	11.4
435.28778	8.3
597.39294	8.5
615.40540	100.0
615.50238	7.2
616.40875	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	615.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.01870	1.8
57.03432	1.2
60.13609	0.4
61.02911	0.7
66.81551	0.5
68.99815	0.7
69.03430	4.5
70.06570	0.7
71.05003	1.2
71.57117	0.6
72.01582	0.4
73.02917	1.2
77.98968	0.4
79.05478	1.1
81.03428	5.3
85.02914	13.9
87.00841	4.6
89.03945	3.9
91.03950	0.6
91.05448	0.6
95.04980	1.0
97.02899	4.1
99.04471	3.4
103.02474	0.4
105.01883	3.8
107.04971	1.6
109.02882	5.9
117.01841	0.8
117.03388	5.9
118.06511	0.6
120.05347	0.7
120.08092	0.5
120.20573	0.5
120.60416	0.4
122.09689	0.8
123.04446	0.5
123.08028	0.5
127.03929	12.1
127.41142	0.4
129.01846	0.9
130.06552	0.5
132.08054	0.4
135.04425	11.8
141.07875	0.5
144.08072	0.5
145.02869	9.4
145.04964	6.8
146.05997	2.5
147.02902	0.7
147.04385	1.4
148.04749	1.2
158.16795	0.5
159.02930	4.7
159.09145	2.4
163.03918	100.0
164.04256	2.0
165.04460	0.7
165.09157	0.9
188.07092	7.4
205.09784	5.2
213.03983	1.3
231.05066	4.2
287.05588	0.9
297.12247	1.1
303.04797	0.6
304.05264	1.0
359.46188	0.5
367.12860	3.3
411.09286	1.8
429.10422	0.8
433.76169	0.5
469.10342	0.7
481.16254	0.6
615.24731	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39250	1.0
53.03944	4.6
55.01622	1.5
55.01876	18.1
55.05511	1.8
57.03222	1.0
57.03447	9.5
59.04984	1.1
61.02921	3.0
67.01822	0.9
67.05502	2.3
68.99791	6.4
69.03436	50.6
69.45550	8.4
71.01357	6.4
71.05000	5.2
73.02913	7.2
81.02983	1.2
81.03427	19.2
83.04987	7.9
85.02914	75.4
86.98384	1.2
87.00837	52.6
87.04493	5.9
91.05463	1.3
93.03381	1.0
95.04962	3.4
95.08663	1.0
96.96383	1.0
97.02901	100.0
99.04452	7.4
101.02354	1.6
103.03976	6.1
105.01175	2.1
105.01876	42.6
109.02889	25.4
111.04472	7.4
113.02382	3.2
114.05515	1.3
115.03941	64.8
121.06510	1.2
123.04407	5.8
125.02361	7.3
127.03928	54.3
129.01831	4.2
129.05467	2.7
137.02391	2.0
139.03914	15.9
141.05470	1.0
145.04990	10.7
147.02908	2.3
149.05995	1.6
151.03947	6.3
157.04938	3.5
159.02913	8.4
163.03822	1.0
165.01845	1.4
165.09135	1.0
169.04945	6.3
171.02904	6.0
177.05510	3.5
181.04990	14.4
183.02895	4.3
187.06035	5.1
189.03954	15.1
195.06569	1.3
201.03963	34.7
205.04956	7.1
213.03935	10.4
218.06631	1.2
219.05017	35.6
223.06026	15.5
231.05013	14.9
241.07152	2.2
243.05090	5.3
249.06056	4.3
255.05151	1.2
261.06125	2.6
273.06070	46.4
283.08270	1.2
285.05847	1.3
287.05627	1.6
309.06036	9.1
327.07150	11.6
345.08243	2.2
413.07254	3.7
431.08240	18.7
449.09396	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	613.4826
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
51.02379	1.3
51.90004	1.1
52.37337	1.1
53.03945	2.6
55.01891	1.4
55.05515	16.8
57.03436	5.4
57.07076	4.8
65.03928	1.5
67.05510	55.5
69.06716	2.0
69.07069	22.0
71.04994	1.7
71.08644	2.3
71.56187	2.3
77.03940	1.5
77.90124	1.2
79.05497	28.9
79.05963	1.8
81.07062	60.0
83.05001	2.3
83.08634	10.2
83.58345	1.0
91.04992	1.0
91.05483	26.5
91.06007	2.1
93.07047	36.8
95.04978	2.4
95.08615	52.2
97.06562	2.8
97.10184	3.8
99.08102	1.4
105.07040	24.7
107.08602	26.8
107.09288	1.7
109.06548	2.0
109.10168	26.0
111.08119	1.3
111.11738	1.3
115.05455	1.3
117.07037	12.5
119.08585	26.1
121.10154	19.7
123.08117	1.7
123.11711	11.1
125.09605	1.8
128.06201	1.5
129.07002	5.5
131.08569	21.6
133.10133	19.9
135.08070	1.6
135.11703	16.4
137.13260	2.2
143.08545	6.0
145.10136	21.1
147.11726	14.6
149.13281	7.0
155.08580	2.4
157.10168	7.6
159.11717	13.1
161.13268	11.4
163.14810	5.0
169.10176	3.4
171.11696	8.8
173.13248	10.9
175.14789	5.8
177.16484	2.8
183.11768	3.2
185.13258	7.2
187.14789	5.8
189.16443	1.8
197.13310	2.1
199.14886	4.5
201.16457	3.7
203.18025	1.9
213.16426	2.8
215.18051	1.5
217.15953	1.8
227.17973	1.5
231.21147	1.9
233.18932	1.4
239.17990	1.3
241.19600	3.7
243.21269	2.5
245.74846	1.2
259.20578	7.1
261.22125	10.6
275.20166	1.3
277.21863	1.4
279.23447	1.3
281.21225	1.7
287.23782	1.3
289.21497	1.1
299.23792	1.8
307.22772	1.4
333.24362	5.3
335.25809	14.5
337.27374	10.7
339.26846	1.5
355.30008	1.8
429.33524	1.2
503.36914	2.6
521.43671	5.3
529.38837	2.6
539.44751	2.1
543.40637	3.4
595.47522	13.9
613.48303	100.0
614.48181	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	613.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90008	0.4
53.03933	0.7
57.03434	2.5
69.03421	0.6
71.04992	14.6
71.11858	0.7
75.04482	0.9
81.60754	0.4
85.02910	18.0
86.18962	0.4
93.07011	0.5
95.04974	4.8
97.02894	0.5
107.04967	0.8
109.02858	0.6
111.04465	0.8
119.04923	0.8
121.02869	1.2
121.06532	0.5
123.04433	28.1
124.04802	0.6
129.05501	2.6
133.24521	0.4
137.02367	2.6
139.03870	1.1
147.04445	2.4
149.02419	0.5
153.01819	2.7
163.03918	0.8
165.01826	1.3
165.05475	9.6
183.02966	0.7
191.21869	0.4
195.07977	0.5
201.05476	0.8
228.63548	0.6
229.04958	2.9
257.04453	1.4
285.04050	0.8
287.05502	18.8
288.06253	0.8
289.15262	0.6
303.04999	100.0
304.05292	3.8
305.05496	1.8
313.07263	0.6
327.05011	0.8
329.03003	0.7
329.06622	2.3
339.04892	0.7
355.04510	3.3
357.05984	0.5
373.05627	1.8
407.07272	2.3
449.09674	1.3
467.09698	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	613.4828
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
50.01598	0.9
53.03946	2.0
55.01871	1.2
55.05513	21.3
57.03441	5.5
57.05100	0.9
57.07075	6.1
58.44413	0.9
65.03942	3.5
67.05507	60.4
69.07072	20.6
70.69452	2.4
70.69809	1.3
71.05019	2.1
71.08624	1.0
71.96758	1.0
79.05497	39.7
81.07059	71.8
83.04966	2.5
83.08630	12.5
91.05482	27.1
93.07048	38.3
95.04979	3.3
95.08611	54.5
97.06536	3.7
97.10177	5.3
99.08114	1.7
105.04494	1.1
105.07037	30.3
107.08597	28.8
109.06506	1.9
109.10162	28.9
109.10921	1.5
111.08099	2.0
113.09634	1.1
115.05436	1.3
117.07021	11.1
119.08589	28.1
121.10149	21.9
123.08084	1.5
123.11712	11.6
129.06996	5.6
130.07846	1.1
131.08577	23.5
131.09525	2.1
133.10149	20.3
133.11098	2.0
135.11691	16.4
137.09618	1.7
137.13286	3.7
139.11142	1.5
141.07047	1.5
143.08548	6.8
145.10136	20.5
147.11696	15.2
149.13271	9.3
151.14850	2.5
155.08563	2.8
157.10109	6.8
159.11697	17.3
161.13264	12.4
163.11182	1.0
163.14835	3.8
169.10144	3.0
171.11719	6.5
173.13268	13.9
175.14828	7.3
177.12767	1.2
177.16342	2.3
181.10101	1.7
183.11746	2.6
185.13219	6.5
187.14830	7.3
189.12675	1.2
189.16388	3.7
191.14580	1.1
191.17885	1.1
197.13353	2.8
199.14876	3.8
201.14763	1.0
201.16457	4.1
203.17958	1.9
211.14906	1.4
213.16505	1.4
215.18034	1.6
217.19598	2.0
219.17389	1.2
229.19504	2.1
231.21266	1.5
233.22701	1.3
237.16476	1.3
241.19566	2.0
243.21147	2.1
245.22795	1.0
255.19608	1.4
257.19122	1.9
257.22925	1.0
259.20624	8.6
261.22153	9.7
263.23663	1.4
273.22290	1.1
279.23569	1.2
281.73245	1.0
287.23743	1.0
299.23981	1.3
301.25079	1.5
315.23349	1.6
315.26849	2.0
317.24765	2.4
333.24393	6.3
335.25885	16.8
337.27396	9.6
341.28448	2.0
347.25809	1.7
355.30240	1.1
489.36096	2.0
503.37360	1.8
521.43280	6.6
529.39069	1.9
539.44580	3.1
543.40564	2.2
595.47192	12.2
613.48260	100.0
614.48792	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	611.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61077	1.0
53.03944	3.6
55.01874	2.3
55.05262	1.2
55.05519	18.0
57.03454	6.8
57.07069	5.3
65.03938	2.1
67.05510	45.7
69.07072	19.4
69.41846	6.8
69.42264	2.5
71.08631	2.1
77.50859	1.0
79.05056	2.3
79.05501	37.0
81.07065	53.7
83.04973	1.5
83.08629	9.4
84.04443	1.2
85.06566	1.9
85.10218	1.7
91.05487	30.9
93.07052	39.4
95.04977	4.1
95.08614	33.5
97.06549	2.1
97.10173	4.1
99.08139	2.2
105.07038	34.1
107.08608	23.7
109.10164	16.1
111.08114	2.0
113.09673	1.1
115.05475	1.9
117.07026	12.7
119.08588	32.8
121.10159	17.4
123.08096	2.1
123.11734	4.4
128.06239	1.6
129.07024	11.2
130.07834	1.7
131.08582	24.3
133.10139	24.3
135.11723	12.2
137.09653	1.4
137.13324	2.0
139.29195	1.0
141.07059	3.7
142.07788	2.5
143.08585	12.8
144.09328	1.3
145.10141	22.8
147.11719	14.7
149.13284	7.4
151.11258	1.4
155.08580	5.3
157.10133	11.5
157.11128	1.1
157.82735	1.1
159.11716	17.7
161.13284	12.2
163.11168	1.1
163.14867	3.7
167.08554	1.8
169.10150	7.2
171.11713	10.9
173.13271	12.2
175.14844	6.2
181.10193	4.1
183.11710	8.2
185.13275	13.1
187.14795	7.2
189.16431	1.5
195.11833	2.7
197.13292	5.2
199.14838	6.5
201.16438	3.7
209.13374	2.4
211.14853	4.3
213.16376	3.7
215.17937	2.9
223.14818	2.0
225.16359	2.2
227.18047	1.9
231.21109	3.2
237.16423	1.7
239.18040	2.5
241.19656	8.0
243.21161	1.7
257.19016	4.7
259.20572	15.3
261.22247	4.1
265.14413	1.9
281.17630	3.1
303.05362	2.8
307.51657	1.3
311.23755	1.8
313.21729	1.8
315.23038	1.4
325.25507	1.5
333.24353	10.9
335.25818	15.7
353.28397	1.4
459.24997	1.4
463.20300	1.6
478.23022	2.1
487.23776	1.9
505.25156	1.4
519.42444	7.0
533.24292	2.3
537.43140	4.4
541.38959	1.8
561.24615	1.6
593.26776	7.9
593.45776	11.1
611.27887	24.4
611.46783	100.0
612.28058	1.8
612.47009	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.2
55.01860	1.7
55.05515	18.3
57.03440	6.1
57.07071	3.8
63.16305	0.9
65.03941	3.5
67.05509	44.5
69.07073	16.4
69.23049	8.9
71.04997	2.0
71.08643	1.5
73.42234	0.8
77.03951	1.2
79.05497	34.4
81.07063	48.6
83.04992	1.7
83.08623	6.3
85.06547	1.0
91.05480	31.3
93.07047	35.5
93.07628	1.8
95.04970	4.1
95.08611	36.4
97.06544	3.5
97.10175	4.4
97.23436	0.9
99.08086	1.6
103.05455	0.9
105.07039	29.5
107.08598	24.4
109.06540	1.4
109.10158	14.4
111.08141	1.0
115.05461	1.8
117.07030	16.4
119.08585	29.3
121.10155	16.3
123.08082	1.2
123.11705	6.0
125.09643	1.2
128.06238	1.7
129.07001	10.2
130.07744	2.0
131.08571	24.4
131.09506	1.6
133.10139	22.1
135.08090	1.1
135.11708	12.5
137.13269	2.0
141.07028	3.4
142.07809	2.8
143.08565	12.8
145.10133	21.5
147.11688	19.0
147.12772	1.3
149.09663	1.2
149.13272	6.6
154.07863	1.4
155.08511	4.5
156.09280	0.8
157.10152	14.5
158.10931	0.9
159.11713	18.4
161.13268	10.9
163.11238	1.0
163.14861	2.6
167.08528	2.1
169.10156	7.8
171.11685	13.2
171.12939	1.1
173.13280	11.4
175.11197	1.1
175.14824	7.4
177.16406	2.0
179.08606	1.1
181.10193	2.6
183.11705	6.6
185.13289	9.4
187.14819	6.9
189.12825	1.6
189.16409	1.4
193.10193	1.1
195.11743	2.1
197.13298	6.1
199.14848	7.8
201.16455	3.7
203.18015	1.1
207.11771	1.0
209.13321	1.8
211.14886	2.3
213.16515	5.5
215.18036	1.6
217.19563	1.0
219.17412	1.1
225.16473	2.6
227.18108	2.1
229.19496	1.7
231.21255	1.7
239.17958	2.5
241.19638	9.6
243.21181	2.8
253.19534	2.0
257.19156	5.3
259.20551	16.2
261.22174	4.1
267.21228	1.5
271.20786	1.3
275.20178	1.4
285.22211	1.3
297.22266	1.9
299.23862	0.9
315.23483	2.3
325.25235	1.3
331.22726	1.1
333.24295	10.0
335.25821	19.4
337.27582	1.3
367.30157	1.2
383.29184	1.0
395.29306	0.9
449.33847	1.3
519.42224	5.6
537.43524	4.4
541.39148	1.7
593.45734	8.6
611.46759	100.0
612.47137	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	611.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.45874	0.6
63.74817	0.6
70.17559	2.3
75.05137	0.6
98.21445	0.7
100.09638	0.6
106.92783	0.6
107.13394	0.5
125.79174	0.6
255.11627	0.6
261.99149	0.5
271.18527	0.6
326.16562	0.7
347.45245	0.6
376.16959	0.9
377.17624	3.3
390.18475	0.8
391.19196	9.1
392.20010	6.3
393.20920	2.2
396.79791	0.6
404.20013	0.7
405.20782	7.8
406.21552	7.1
407.22305	6.6
417.20926	1.0
419.22543	4.9
420.23096	5.5
421.23907	28.6
422.24481	1.1
433.24136	1.9
434.24680	1.7
435.17911	2.7
435.25653	2.6
436.18860	2.6
437.19611	1.0
447.21982	1.9
449.19711	2.2
450.20438	3.2
451.21310	10.5
461.23169	1.0
463.21188	1.9
463.27792	0.7
464.22177	1.0
465.22910	29.0
466.23651	4.1
476.25693	0.9
477.22910	1.9
478.23724	1.6
479.24564	13.0
480.24805	0.6
492.25256	1.1
493.25977	4.0
494.26843	6.9
507.27499	2.1
523.23364	6.5
533.25836	1.4
535.27069	0.8
537.24963	3.7
538.25775	13.5
551.26801	2.5
565.28058	6.2
567.20825	0.8
567.29718	17.0
611.28687	100.0
612.29053	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1612
Annotation	Herbacetin 7-glucosyl-(1->3)-rhamnoside
Peak:m/z	Relative Intensity
55.32897	0.6
55.44626	0.6
57.03428	3.2
61.02911	1.2
61.69712	0.7
68.99764	0.9
69.03443	3.4
69.44299	3.8
69.44699	0.9
70.19728	0.6
71.05000	9.3
73.02918	1.3
78.05147	0.8
81.03377	0.8
85.02421	1.3
85.02912	19.2
91.05804	1.2
97.02889	2.4
99.81876	0.8
102.81019	0.8
109.02849	1.1
112.56258	0.8
121.02868	4.8
124.07613	0.8
127.03952	3.6
129.05463	3.5
131.19098	0.7
137.02420	1.0
145.04990	2.2
153.01836	2.4
163.41469	0.6
164.07092	0.8
165.01767	1.1
165.15598	0.7
166.08585	1.3
168.06589	8.0
169.01309	4.5
181.01352	1.2
192.06551	1.7
203.42444	0.8
210.07617	10.6
213.05556	1.0
224.56783	1.0
229.05008	1.4
287.05518	56.0
303.05008	100.0
304.05258	1.0
356.06393	0.8
363.12009	1.9
388.67838	0.7
392.04922	0.7
449.10803	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	611.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
55.01866	0.5
57.03440	0.8
65.03951	0.3
67.05511	0.7
68.65858	0.3
68.99795	0.3
69.03422	1.9
71.05004	2.0
71.56129	0.3
71.56502	0.3
73.02926	0.5
77.03963	0.4
81.03444	2.4
83.05022	0.4
85.02914	5.4
87.00830	1.2
87.94064	0.3
91.05474	0.6
94.06577	1.5
96.08155	0.6
97.02916	1.6
99.04479	0.7
104.04995	1.5
105.01831	0.5
106.06560	0.7
107.07348	0.4
108.08128	0.9
109.02884	1.7
109.06458	0.3
118.06554	0.7
120.08113	1.1
122.06013	1.0
122.09683	0.9
124.07607	4.3
127.03933	2.4
129.05504	0.9
134.06067	0.4
134.09663	0.4
135.87682	0.3
136.07582	3.9
137.02370	0.7
139.03925	0.5
145.04964	0.9
146.06073	0.3
147.06694	0.3
148.07585	1.0
149.08330	0.3
149.11646	0.2
150.05518	1.3
150.09137	0.5
151.03896	0.3
152.07085	0.5
153.01779	0.6
154.08679	0.3
158.43747	0.3
159.02914	1.1
161.06061	0.3
162.05508	0.3
164.05792	0.2
164.07082	6.2
165.01855	0.4
166.04967	0.6
166.08650	16.0
168.06575	79.6
169.06944	0.8
178.08661	1.1
180.10262	0.5
182.08177	1.1
184.07591	0.3
192.06558	9.8
194.08163	1.2
196.09732	5.3
202.08508	0.3
206.08157	1.2
208.06418	0.3
208.09703	4.8
210.07628	100.0
211.07951	0.8
229.04987	0.5
257.12985	0.3
285.12509	0.7
287.05527	7.2
293.11325	0.3
303.05017	14.0
303.13461	0.5
315.04678	0.4
345.14398	1.8
356.07233	0.3
363.15500	4.2
366.12366	0.4
383.51917	0.3
384.12885	1.4
387.15472	3.5
396.12952	0.6
398.10605	0.6
402.14014	1.9
405.16611	3.9
414.13965	2.9
449.10883	2.6
451.00903	0.3
458.12997	1.2
557.17438	0.4
575.18622	0.7
593.19714	1.5
611.19836	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1608
Annotation	Cyanin
Peak:m/z	Relative Intensity
50.28235	0.3
51.54165	0.3
57.03425	0.8
59.25400	0.3
60.22474	0.3
61.02912	0.9
63.43562	0.3
68.99789	0.6
69.03436	1.7
70.61784	0.7
70.62125	0.3
71.04996	3.4
74.17018	0.3
81.03401	0.9
85.02905	9.8
87.04447	0.4
96.07014	0.3
97.02907	1.9
104.60266	0.3
106.13183	0.3
109.02887	0.6
111.00785	0.8
115.98498	0.3
121.02882	2.2
127.03917	1.9
129.05469	0.7
136.64297	0.3
137.02347	0.9
145.04886	0.8
147.04422	0.4
152.63013	0.4
153.01843	3.9
163.03865	0.3
165.01830	1.7
169.26230	0.3
180.03047	0.3
183.02901	0.7
213.05394	1.6
224.06248	0.4
229.05000	0.8
231.06407	0.5
233.89267	0.3
241.05009	0.7
257.04440	0.8
258.05182	0.6
269.03918	0.3
287.05508	100.0
288.05923	1.1
303.05008	18.0
317.11847	0.3
449.10800	6.2
465.10391	2.6
632.34387	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1601
Annotation	Rutine
Peak:m/z	Relative Intensity
57.03426	2.4
57.59831	0.5
59.65775	0.5
61.02919	0.8
69.03423	1.2
69.49168	3.5
69.49575	1.0
71.04637	0.8
71.04994	9.4
81.03392	0.9
85.02910	16.1
97.02902	1.4
109.02797	0.7
117.72147	0.6
127.03929	0.7
129.05507	3.4
137.02341	2.6
147.06500	0.9
150.37944	0.6
153.01828	3.9
153.63689	0.5
165.01854	2.5
183.02859	1.1
195.71175	0.6
201.05536	1.2
229.05049	4.3
257.04483	3.0
285.03949	1.5
303.05002	100.0
304.05350	1.5
380.35733	0.6
423.47897	0.6
440.43600	0.7
506.01456	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.1
57.03428	0.5
61.02929	3.4
68.99795	0.5
69.03436	0.7
71.01343	0.1
71.04993	0.3
71.56207	0.1
73.02935	0.9
81.03407	0.3
85.02909	3.8
91.03963	1.9
97.02902	1.8
99.04482	0.3
105.03393	0.2
107.04971	0.2
109.02864	0.2
111.00804	0.5
121.02866	1.9
127.03897	0.8
133.02855	0.5
137.02341	0.8
139.03891	0.3
145.04991	0.6
145.06483	0.2
147.04402	0.4
153.01834	2.3
153.02989	0.2
157.06491	0.3
165.01840	1.4
179.03418	0.1
183.02934	0.6
185.05971	0.4
197.06064	0.2
213.05473	1.1
229.04736	0.1
231.06635	0.6
241.04953	1.0
243.06499	0.1
258.05276	1.0
259.06030	0.3
269.04385	0.1
287.05505	100.0
288.05823	1.7
299.05518	0.2
303.04999	1.2
329.06454	0.2
353.06595	0.2
449.10809	7.4
450.11249	0.2
461.86862	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	611.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64561	0.7
53.03954	0.9
55.01878	2.3
58.83788	0.6
62.24539	0.7
65.03956	1.0
66.09839	0.7
68.87623	0.7
68.99799	6.4
69.59460	4.6
73.50702	0.7
81.03434	3.2
91.05476	1.0
95.04967	1.4
96.56847	0.7
98.21504	1.4
98.97573	1.0
99.04445	1.3
105.03391	1.7
107.05123	0.7
109.02905	3.8
111.00817	6.0
111.04454	1.1
119.04961	2.7
121.02888	2.3
123.04451	10.1
127.03928	98.6
128.04243	1.2
131.04990	0.8
133.02879	2.3
135.04451	2.3
139.03914	100.0
140.04247	1.2
147.04434	10.5
149.02362	2.1
151.03923	30.9
153.01883	1.1
153.05490	0.8
155.03439	1.3
157.06526	0.9
159.04468	2.0
161.06003	1.5
163.03932	10.1
165.05508	1.7
167.03386	4.7
169.04971	1.4
171.04408	2.3
173.05954	0.9
175.03938	14.6
177.05472	5.8
179.03410	38.3
181.04987	4.8
185.05901	1.8
189.05511	2.6
191.03429	10.7
193.04973	3.8
195.06671	0.9
197.05963	1.0
199.03896	2.5
201.05458	3.6
203.03413	17.5
203.07130	1.0
205.04927	2.0
211.03981	0.8
213.05447	5.5
215.03448	1.2
215.07021	0.7
217.05086	3.9
219.06520	1.3
227.03386	1.1
229.05046	4.8
230.05672	1.0
231.06493	2.9
233.04443	4.6
241.04942	2.8
245.04510	9.4
251.05510	1.8
253.04979	1.0
257.04425	11.0
257.07007	1.0
258.05161	1.0
259.06076	3.3
263.05508	17.9
269.04465	3.0
271.06039	2.6
275.05527	17.5
287.05521	41.9
289.07068	3.0
299.05499	19.3
305.06561	8.7
307.08093	9.0
317.06570	16.6
335.65628	0.8
407.07544	1.6
425.08752	20.4
443.09741	10.9
467.09714	1.3
579.19531	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1397
Annotation	56343-26-1
Peak:m/z	Relative Intensity
53.03958	0.6
65.03922	1.6
69.03440	1.5
70.12728	1.0
71.04977	0.3
72.61761	0.3
81.03419	3.1
82.15709	0.3
85.02913	1.2
89.03909	0.4
91.05483	10.4
97.02859	0.6
99.04453	0.4
109.02871	1.1
111.00826	0.5
115.08649	0.3
117.03366	0.5
119.04947	22.8
127.03918	0.5
127.42413	0.3
135.04439	1.0
137.02339	0.8
145.02840	0.6
147.04414	100.0
148.04770	1.0
153.01826	0.9
157.87866	0.3
163.03902	5.2
165.01808	0.6
165.05473	2.9
179.75771	0.3
201.05371	0.4
206.42479	0.3
206.44508	0.3
229.05014	1.1
257.04489	0.5
259.06226	0.6
287.05588	1.6
291.08597	5.6
303.04993	20.4
309.09756	1.4
318.54895	0.3
608.23376	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4516
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
52.47534	1.2
53.03952	1.7
55.01877	1.4
55.05515	15.1
57.03444	2.8
57.07079	2.6
63.18745	1.1
65.03951	1.3
67.05507	26.8
69.07072	13.0
79.05504	16.8
81.07060	25.0
83.08623	7.9
85.06534	1.7
86.33172	1.1
91.05465	14.8
92.47656	1.2
93.07050	17.4
95.04955	2.8
95.08614	20.9
97.06536	2.9
97.10182	4.3
99.08131	1.1
103.05560	1.1
104.88259	1.3
105.07027	15.5
107.08598	12.6
109.10169	7.8
111.08099	2.4
111.11753	1.7
115.05406	1.5
117.07021	7.8
119.08590	14.6
121.10146	7.5
123.08063	1.3
123.11746	2.7
125.09658	1.7
128.06238	3.5
129.07011	10.3
131.08577	11.8
133.10149	8.8
135.11693	5.2
140.98811	1.2
141.06995	6.0
142.07814	2.7
143.08571	13.8
145.10143	14.0
147.11707	6.2
149.13289	2.3
153.06932	1.4
154.07825	1.9
155.08557	11.9
156.09323	2.2
156.78687	1.3
157.10138	15.7
159.11687	9.4
161.13281	3.6
165.07155	1.4
166.07809	1.3
167.08615	4.6
169.10143	16.4
171.11700	14.0
173.13289	5.2
173.94696	1.2
175.14883	2.0
179.08537	2.2
181.10120	11.2
182.10886	2.2
183.11694	14.5
185.13205	7.6
187.14842	3.8
189.16495	1.5
193.10153	4.5
195.11746	8.8
196.12657	1.3
197.13272	13.2
199.14816	7.0
201.16438	2.1
207.11758	4.6
209.13341	8.2
211.14839	9.5
213.16449	3.8
219.11760	1.3
221.13258	3.7
223.14784	6.2
225.16521	6.5
227.17999	3.5
229.60056	1.6
235.14928	2.7
237.16493	3.9
239.18005	3.4
241.19630	1.3
247.14865	1.5
249.16447	1.7
251.17963	3.9
253.19624	2.0
258.41766	1.2
265.19443	1.5
293.17618	1.3
295.20578	1.6
299.20370	1.5
309.21951	1.3
315.36319	1.2
335.23703	1.5
337.25366	2.2
339.23019	1.4
349.25284	1.4
351.26910	2.4
355.07086	2.5
365.24399	1.6
365.28656	1.7
377.28296	1.7
379.30295	1.6
391.30042	1.5
393.87354	1.5
425.31058	1.7
429.31735	1.3
447.32739	1.9
461.34247	1.6
465.34628	1.1
475.35284	1.5
499.38895	1.6
517.40485	13.7
535.41461	8.2
539.37366	1.6
553.42261	1.3
565.69720	1.2
573.42896	2.3
591.43994	15.9
609.45160	100.0
610.45404	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	609.4516
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03952	1.4
55.01878	1.5
55.05515	13.6
57.03439	3.8
57.07073	2.1
65.03942	1.5
67.05511	25.6
67.05872	1.4
69.07076	12.1
71.04996	1.7
79.05499	16.7
79.81767	0.6
81.07065	24.3
83.05000	1.2
83.08626	8.3
85.06527	0.9
91.05482	14.9
93.07055	17.1
95.04976	2.7
95.08612	19.6
97.06551	1.9
97.10188	3.6
103.05448	0.6
105.07034	16.7
107.08600	11.7
109.10159	9.4
110.33091	0.7
111.08125	1.0
115.05470	1.3
117.07024	8.0
119.08582	14.8
121.10164	8.9
123.08074	1.5
123.11715	3.0
125.09682	1.6
128.06250	2.8
129.07011	11.1
130.07834	0.8
131.08563	14.0
133.10139	10.0
135.11723	4.0
139.11258	0.9
141.06978	6.0
142.07794	2.4
143.08566	14.1
145.10127	14.1
147.11722	6.1
149.13280	2.6
153.07072	1.7
154.07802	1.5
155.08557	13.3
156.09383	2.2
157.10138	13.4
159.11691	11.3
161.13275	4.0
163.11154	0.7
163.14842	1.4
165.07030	1.2
166.07794	1.3
167.08582	6.0
168.09285	1.6
169.10149	16.2
171.11690	9.3
172.88243	0.7
173.13278	7.2
175.14876	1.8
177.04437	0.9
179.08591	2.5
180.09392	0.9
181.10150	10.4
182.10898	0.9
183.11705	14.7
183.13197	1.0
185.13283	10.5
187.14841	3.8
189.16350	1.2
193.10181	2.3
195.11708	8.8
196.12479	1.1
197.13268	11.2
199.14833	7.0
201.16472	1.7
203.18083	0.8
205.10280	0.9
206.11026	0.8
207.11766	3.1
209.13278	7.8
211.14867	6.8
213.14705	0.8
213.16496	4.4
215.17938	1.2
219.11719	0.9
221.13353	2.7
223.14767	5.4
225.16379	5.3
227.18011	2.2
229.19569	0.7
233.13312	1.4
235.14854	2.2
235.48471	0.8
237.16425	3.6
238.10706	0.8
239.17973	3.7
241.19756	1.8
249.16499	1.8
251.17998	2.8
253.19704	1.4
257.19061	1.2
261.16345	1.0
263.05670	0.7
263.17957	1.4
265.19614	1.8
267.21219	1.2
271.20544	0.9
275.20197	1.4
277.19708	1.4
279.21304	1.3
283.20779	1.4
285.22183	0.8
293.22668	1.1
299.20483	0.8
307.20917	0.9
321.22147	1.3
323.23843	1.9
325.21817	0.9
327.23492	1.1
335.24106	0.6
335.25107	0.6
337.25323	2.1
339.23291	1.2
339.27090	1.3
341.24973	1.2
349.25299	1.7
351.27042	1.6
363.26770	1.6
365.24634	0.9
365.28604	1.5
379.30127	1.0
405.31622	1.4
447.32309	1.4
461.34030	1.1
473.32654	0.9
499.39368	2.5
517.40491	12.2
535.41864	6.2
539.37543	2.1
554.13342	0.7
555.42053	1.3
573.43170	2.1
591.44128	13.1
609.27417	2.6
609.45178	100.0
610.27600	1.0
610.45349	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	609.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	13.3
55.01860	12.5
55.05516	25.4
57.03437	24.6
67.05510	78.0
69.03442	27.6
69.07063	20.8
71.04999	14.0
79.05495	91.0
81.03416	64.0
81.07060	75.4
83.04985	35.1
83.08611	14.9
85.02899	15.5
91.05479	100.0
93.07039	89.2
95.04974	23.5
95.08631	34.7
97.02882	17.8
97.06525	12.4
97.10183	6.0
99.04447	5.9
99.08067	5.2
105.07036	55.8
107.04967	15.5
107.08595	36.6
109.02872	8.5
109.06541	7.4
109.10167	10.0
111.04443	6.3
111.08127	6.2
117.07004	30.1
119.08589	32.1
121.10166	37.4
123.04404	6.3
123.08013	7.3
127.03934	16.8
128.06219	10.4
129.05495	11.1
129.07034	23.8
131.08594	27.9
133.06619	6.3
133.10144	36.7
135.08086	11.5
135.11685	13.0
141.06985	6.0
143.08624	9.7
145.06531	8.9
145.10139	11.1
147.11691	20.5
149.09619	19.4
149.13274	19.5
157.10144	8.6
159.11676	9.5
161.09651	20.1
164.80597	5.1
168.16719	6.1
169.10158	6.3
171.11665	12.2
173.04503	5.8
175.11111	6.6
177.12784	6.0
183.11620	4.5
195.11919	5.8
195.13794	11.3
207.13704	11.6
213.12790	12.7
217.12256	5.0
241.12227	11.6
241.14395	13.4
253.14372	31.3
259.13336	8.5
269.17712	28.5
281.17603	13.1
413.21518	8.6
447.27429	78.8
591.31287	21.2
609.34503	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	609.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	14.1
55.01870	12.2
55.05490	12.2
57.03434	7.7
57.09804	7.4
67.05511	48.1
69.03426	15.9
69.07053	16.5
71.57121	16.4
79.05495	100.0
81.03407	26.4
81.07056	33.3
83.04959	18.8
84.07606	8.9
85.02892	10.7
91.05466	41.4
93.07059	69.7
95.04931	9.0
95.08596	28.3
97.02890	6.5
97.06508	8.6
102.41676	6.6
105.07037	29.6
107.04961	11.6
107.08609	42.1
109.10169	14.9
117.07004	10.0
119.08574	24.8
121.10114	29.8
127.03912	14.9
131.08574	14.0
135.11739	9.3
143.08614	7.7
145.10120	14.0
147.11703	15.8
149.09644	71.1
171.11731	9.5
207.13785	15.0
223.13252	19.0
239.03856	8.9
252.48657	8.0
281.17474	55.4
310.87753	8.0
332.19687	9.0
340.04868	7.7
367.66016	8.7
429.26556	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	14.1
55.01863	7.1
55.05516	27.9
57.03432	12.0
65.03944	4.5
67.05177	3.5
67.05510	58.4
68.03001	2.6
69.03440	18.4
69.07073	17.2
70.03337	9.0
71.04985	9.7
79.05491	52.0
81.03421	100.0
81.07059	48.1
83.04988	31.4
83.08632	17.9
85.02914	18.5
90.51864	2.9
91.05476	41.9
93.07045	54.9
95.04971	28.6
95.08593	17.1
97.02905	23.7
97.06518	9.9
97.10167	10.7
98.82095	2.9
99.04468	8.3
105.07039	22.3
107.04974	9.3
107.08600	32.8
109.02853	15.1
109.06525	5.6
109.10155	10.3
111.04456	14.7
111.08088	10.7
117.07012	11.4
119.08591	20.1
121.06491	4.8
121.10135	15.9
123.08038	5.0
125.09611	6.8
127.03905	15.5
129.05443	3.5
129.07036	8.8
129.09705	3.4
130.07773	3.3
131.04947	3.8
131.08537	15.5
133.10130	16.7
135.08064	4.0
135.11713	40.8
137.09579	4.6
143.08488	4.3
145.10098	11.5
147.08040	3.7
147.11684	12.1
149.09628	4.4
151.11127	3.0
153.12733	4.2
157.10109	10.0
159.11670	4.5
163.11195	13.4
165.12802	6.3
175.11162	11.0
181.12257	16.7
191.10661	9.3
193.12236	40.6
211.13309	48.8
227.12711	8.8
255.15919	7.3
267.16019	7.3
285.16891	4.8
289.14380	3.6
325.16513	4.2
337.16656	3.4
337.21875	4.4
355.17612	9.6
411.19955	5.4
414.16537	3.5
447.27618	11.0
465.28436	10.9
591.31287	4.1
609.32959	83.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2712
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.94796	0.6
56.49765	0.5
67.05509	1.8
69.07065	0.7
69.93163	2.7
79.05487	1.1
81.07071	1.0
91.05485	0.9
93.07040	1.6
95.08600	1.4
105.07047	0.8
107.08617	0.9
109.10200	0.6
117.81620	0.4
119.08601	0.5
123.43901	0.5
131.08559	0.8
132.19991	0.5
145.10103	0.6
159.11780	0.7
173.13251	0.5
225.13835	0.5
239.15514	0.7
257.19281	0.5
275.20276	0.8
291.30032	0.5
377.17679	0.6
389.18417	1.1
390.18723	1.0
391.19324	1.9
392.20065	1.2
401.17322	0.5
404.20584	0.6
405.20825	3.8
406.21597	2.0
407.22430	2.7
414.18463	0.7
415.19675	1.1
418.21655	0.6
419.18192	1.3
419.22632	1.8
420.23618	0.8
421.23969	3.8
429.20920	2.1
430.22079	1.2
431.18420	0.9
433.15527	0.7
433.20438	1.4
443.22543	0.7
444.23508	1.0
445.20285	0.8
447.17801	2.6
448.19025	0.9
449.23450	1.1
452.22052	1.0
457.24249	1.1
459.17349	0.7
459.22128	0.9
460.22617	1.8
461.19000	4.9
462.20474	2.3
463.21307	2.2
474.20654	1.0
475.21155	6.9
476.21704	5.9
477.22266	4.1
485.23480	5.5
486.19928	2.7
488.21872	1.1
489.22977	5.0
489.32397	0.7
494.27057	0.7
499.21359	3.7
500.21930	1.4
503.24429	6.5
504.21686	0.6
504.25211	0.5
507.24112	0.9
513.22833	1.4
515.24408	5.6
517.22278	2.3
521.26270	2.7
531.24036	9.4
535.23376	0.8
549.25092	2.5
550.25586	4.5
559.23425	5.6
563.26392	1.6
577.24323	2.2
591.26086	13.4
609.27130	100.0
610.27576	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	609.2709
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
55.05515	1.4
56.68901	0.5
67.05511	3.4
69.07071	1.0
70.55830	0.7
70.82827	1.3
74.75090	0.6
75.81515	0.6
78.89775	0.7
79.05496	3.0
81.07068	2.7
83.08634	1.0
85.52895	0.6
91.05478	2.5
93.07058	3.5
95.08627	2.7
105.07053	2.6
107.05019	0.7
107.08620	1.9
117.07022	1.4
119.08598	1.5
121.10196	0.9
125.18948	0.6
131.08586	1.7
133.10129	0.9
145.10175	2.1
147.11711	1.2
159.35921	0.6
183.11682	0.7
199.14803	0.7
223.12268	0.6
237.13715	0.7
239.73642	0.6
271.66617	0.6
275.20184	2.2
389.18613	0.8
390.18768	1.0
391.19278	2.2
392.20169	1.4
401.18076	0.7
403.20013	0.7
404.20557	1.2
405.21002	3.5
406.21509	2.1
407.22260	3.9
413.17413	0.7
414.18454	1.4
415.19193	2.6
416.20554	0.8
418.21759	0.8
419.18362	1.0
421.23898	4.0
427.19205	1.1
429.21005	2.6
430.21942	2.0
431.18109	1.1
431.23160	1.0
432.19507	0.8
433.15717	1.1
433.24609	1.4
443.22702	1.1
444.23038	1.5
447.18326	2.2
452.22537	1.0
457.24261	3.2
459.21957	2.6
460.22934	1.2
461.19028	5.4
462.20584	2.3
463.21561	1.0
472.22556	1.0
473.19464	0.8
474.20398	0.9
475.20859	6.0
476.21893	6.5
477.22235	5.5
478.23502	1.2
485.23657	8.4
486.20172	3.2
487.25339	0.8
488.22131	1.0
489.22849	6.1
493.22400	1.0
499.21329	2.6
500.22501	0.8
503.24490	4.4
504.25995	0.8
513.22327	1.5
515.24396	7.6
517.21985	1.1
521.25537	2.8
531.24011	15.5
541.22968	0.9
549.25226	1.5
550.25812	3.2
559.23340	5.8
577.24591	1.1
591.26074	38.3
609.27118	100.0
609.44818	4.9
610.27051	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	607.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03725	1.6
53.03952	9.0
55.01887	7.4
55.05515	23.1
56.66682	1.4
57.03442	8.0
57.07071	3.1
65.03940	3.7
67.05509	70.8
69.03441	20.1
69.07076	23.5
71.01371	2.0
71.04995	8.6
71.12014	3.6
77.03930	1.7
79.05497	58.0
79.57407	1.5
81.03423	71.2
81.07063	100.0
83.04989	17.9
83.08624	12.9
85.02911	6.5
85.06548	4.6
86.09715	4.3
91.05487	46.4
93.07052	69.0
95.04984	11.1
95.08614	33.1
97.02904	15.3
97.06539	14.6
97.10168	1.9
99.04460	4.7
99.08107	2.6
103.05508	1.8
105.04532	1.9
105.07047	23.1
107.04962	6.6
107.08607	37.0
107.62142	1.5
109.02892	16.2
109.06528	7.5
109.10176	6.8
111.04426	10.8
111.08100	6.2
115.05499	1.6
117.07042	10.8
119.06125	2.0
119.08584	15.4
121.06526	5.1
121.10158	18.7
123.04482	2.3
123.08157	2.7
123.11731	5.0
127.03923	11.8
129.07027	6.8
131.04906	2.6
131.08597	20.6
133.06532	4.5
133.10136	14.1
135.08104	4.1
135.11732	12.1
137.06021	1.6
137.09650	2.1
141.07007	3.2
143.08588	3.8
145.06494	2.7
145.10152	4.4
147.08058	1.6
147.11708	14.5
149.09679	3.0
149.13263	27.1
151.11270	2.0
155.08617	1.8
157.10167	3.2
159.11748	16.6
161.13263	1.7
163.11240	1.7
165.12779	4.5
169.10158	2.0
171.11757	2.2
173.04501	3.3
173.13283	1.8
177.12714	10.2
183.11734	2.3
195.13808	21.3
197.13306	1.9
213.12967	1.8
213.14934	5.9
219.13776	3.1
257.12656	1.7
257.15308	2.8
261.14990	1.9
267.15891	4.3
269.17517	13.2
275.16531	3.6
279.09946	1.5
303.16019	3.9
321.16959	7.7
339.18082	16.6
359.18600	2.2
377.19669	3.1
395.20718	14.3
445.29556	6.2
463.30594	13.1
533.31696	1.9
589.33777	5.1
607.34796	98.6
608.34845	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	607.291
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
70.82535	0.4
70.82870	1.0
70.83216	0.4
75.81938	0.4
137.17056	0.5
185.45284	0.4
237.13837	0.4
320.63196	0.5
389.17719	1.6
391.19440	0.5
401.18115	0.8
402.18414	1.4
403.19055	3.2
404.20071	1.1
405.20755	1.6
416.20178	1.0
417.16010	0.7
417.21271	4.5
418.21704	1.8
419.22455	3.7
421.65982	0.4
430.17633	1.0
431.18137	7.8
432.19504	1.8
433.24063	8.0
434.24609	1.2
445.19760	9.6
446.20709	4.9
447.21841	4.7
449.23026	0.5
459.21658	4.7
460.22598	11.1
461.23328	12.8
473.23489	3.6
474.24112	0.8
477.22714	1.1
487.25232	1.9
489.23294	0.7
491.20599	0.5
491.24908	0.6
492.25116	1.0
504.25436	0.6
505.21677	3.2
515.24371	0.7
518.23309	0.6
519.24170	2.1
532.24646	1.0
533.25610	0.7
547.27039	30.5
548.27350	0.8
575.26550	1.0
578.25153	0.6
579.29547	0.5
607.29132	100.0
608.29639	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2913
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
63.11872	0.6
69.39017	3.8
96.49384	0.4
143.25514	0.4
167.97086	0.4
248.52768	0.4
258.80429	0.4
311.70959	0.5
374.15579	0.5
387.16257	0.5
388.16858	0.6
389.17715	1.2
390.19183	0.5
401.17627	0.6
402.18680	1.0
403.19128	4.5
404.20010	1.5
405.20782	2.0
415.19620	0.6
416.20331	1.1
417.16315	1.0
417.21402	5.2
418.21774	2.7
419.22357	4.2
430.17017	0.6
430.22113	1.1
431.18146	10.3
431.23563	0.9
432.18982	2.7
433.24023	12.5
434.24661	1.6
443.18732	0.5
444.24023	0.7
445.19852	11.6
446.20764	5.0
447.21848	4.7
458.21078	0.6
459.21576	4.3
460.22562	13.0
461.23343	16.4
473.23413	4.1
474.24088	1.2
477.23190	1.1
487.24820	1.6
488.26068	0.6
492.25241	1.1
505.21994	2.5
506.26886	0.7
519.25549	1.8
519.26849	1.9
532.24762	1.8
547.27094	48.7
548.27600	2.4
575.26794	1.3
579.30096	1.0
607.29169	100.0
608.29456	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	607.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82199	1.4
59.30168	1.5
61.37666	1.6
64.07648	1.5
71.15546	2.5
71.15894	1.7
79.05505	1.4
81.07069	2.2
91.05502	6.8
93.05814	2.2
93.07051	6.2
94.06574	3.9
96.04489	1.8
100.85146	1.2
102.98464	1.4
108.08121	16.0
110.06065	2.7
110.17526	1.4
118.06564	2.9
119.04960	4.4
121.06521	1.6
121.10209	1.8
122.06010	10.4
122.66492	1.4
124.07629	10.7
136.07591	22.8
138.09132	26.8
146.06046	3.7
147.04439	3.7
149.07120	2.4
160.07622	1.8
163.08708	3.2
164.07082	67.0
164.10747	8.1
170.09595	1.6
172.07596	1.7
174.09207	3.0
176.10698	3.1
177.06693	3.3
181.09735	8.7
188.10765	1.8
190.08643	2.5
191.08208	4.7
192.10159	7.1
202.08717	5.2
203.08220	5.2
204.06708	2.8
206.08185	2.7
212.10690	2.5
216.10359	3.7
217.09825	4.7
218.08195	5.2
220.09578	2.3
228.06659	3.1
228.10194	4.4
229.06081	2.1
230.08130	2.6
230.11862	2.5
234.10083	2.4
235.10854	3.2
240.10248	4.9
241.09840	2.7
242.08244	2.1
243.07759	2.0
243.11385	2.9
244.09734	4.6
245.09415	4.7
246.07533	2.3
248.09201	2.0
257.12878	4.7
258.11276	23.8
260.13089	2.4
261.08749	8.1
263.10330	8.0
269.12906	6.8
271.14664	2.7
272.09116	2.0
275.10516	1.5
275.13931	5.5
286.15601	5.0
287.10211	12.2
289.11621	2.0
294.14972	1.6
301.11844	27.3
305.11240	11.9
307.13226	1.5
308.13882	1.7
310.85614	1.5
314.15045	13.0
321.15717	2.0
325.15707	1.9
325.19424	1.7
335.17664	4.1
353.18530	7.3
363.17123	11.5
365.18604	3.2
366.17508	4.3
378.18091	2.8
380.19351	2.2
381.18137	43.3
385.18307	2.0
388.23093	1.9
391.16452	15.3
392.15955	1.7
398.20810	1.9
406.17950	3.9
408.19220	5.6
409.17633	100.0
410.17960	3.7
420.18985	2.0
424.18918	2.2
426.20313	25.3
427.19180	2.0
434.17273	3.7
444.21368	16.1
452.18243	39.4
465.82764	2.1
470.19891	2.1
529.24384	2.0
543.25806	2.9
571.25592	5.1
580.21106	1.8
589.26654	44.0
590.27881	1.9
607.27631	83.4
608.27917	3.6
615.59637	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14252	1.4
55.01865	3.1
62.96510	1.3
67.05490	3.8
70.81961	3.9
79.05432	1.5
91.05473	6.1
91.23840	1.3
93.05765	2.9
93.07058	8.5
94.06568	6.5
107.07304	1.6
108.08125	14.7
110.06031	3.4
119.04946	5.3
121.06504	2.4
122.06020	12.2
122.09684	12.1
124.07600	7.0
134.82593	1.5
136.07585	28.8
138.09151	26.2
146.06000	1.7
146.09659	1.4
147.04398	5.4
147.05515	1.9
150.05466	2.6
160.07571	2.0
163.08696	2.4
164.07077	100.0
164.10715	6.0
172.07648	2.1
174.09164	4.4
175.05072	1.7
177.06578	3.6
181.09746	9.0
187.08791	1.6
189.10193	2.0
191.08119	7.0
192.10143	3.3
193.73764	1.8
200.07124	1.8
201.06621	3.1
202.08751	7.6
203.08189	16.9
204.06549	9.8
204.08185	1.5
206.08110	7.7
213.10194	1.8
215.08153	3.6
217.09814	8.3
218.08014	2.0
228.06580	2.5
228.10210	2.2
229.06078	9.0
229.13348	1.8
230.08156	4.1
231.11310	2.6
234.10045	2.4
235.10832	4.0
243.07683	2.9
243.11293	3.6
244.09694	3.3
245.09229	17.1
245.12854	5.3
246.07649	4.0
247.10924	2.9
248.09212	3.2
257.12860	5.2
258.11313	9.9
259.10846	4.9
261.08725	10.0
261.12387	2.1
263.10248	24.4
269.12839	2.9
271.07108	3.8
271.10693	1.7
272.09128	2.8
273.12183	1.7
274.13101	3.0
275.13907	10.6
285.08588	1.9
286.15515	2.1
287.10272	16.0
301.11868	24.6
305.11322	42.1
307.12723	3.7
313.08273	2.2
314.14978	7.2
319.13007	2.7
322.15344	3.0
336.17197	2.1
339.17044	3.3
353.18478	5.0
363.16891	4.8
365.18628	2.4
366.17889	6.1
378.18274	2.9
380.19836	2.4
381.18063	19.0
391.16748	6.7
398.20901	3.1
406.17505	4.8
408.19397	8.0
409.12228	2.9
409.17584	46.6
420.19202	4.1
424.18564	3.1
426.14688	2.5
426.20273	38.2
434.17264	3.1
438.20044	3.3
444.15060	2.0
444.21274	26.5
450.16467	1.8
452.18173	36.1
468.17688	5.0
470.18796	6.6
543.25812	4.6
571.25146	6.9
589.17969	2.8
589.26630	40.6
590.26111	2.0
607.27643	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	607.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63233	1.1
55.01869	2.2
64.50846	1.0
65.03927	1.2
67.05501	2.1
67.22438	1.1
70.81847	2.5
79.73955	1.1
81.07072	1.6
83.97910	1.2
84.21662	1.1
85.22377	1.0
89.82856	1.1
90.12070	1.1
91.05473	7.2
93.05804	2.8
93.07068	7.7
94.06551	2.5
95.08604	1.4
96.04486	1.9
98.00172	1.3
108.08121	14.1
110.06103	2.0
118.06582	1.5
119.04939	9.7
121.06496	2.7
121.10098	2.3
122.06052	6.3
122.09655	9.3
124.07600	6.6
136.07591	21.0
138.09155	15.9
146.06061	1.8
147.04437	4.1
149.81424	1.2
160.07480	1.6
162.05453	1.4
163.08737	2.4
164.07083	100.0
164.10724	6.1
173.56757	1.3
174.09230	3.4
175.05055	1.4
175.08742	1.5
175.14824	2.2
176.09457	1.2
177.06622	3.6
181.09698	3.6
186.05556	2.2
189.10281	1.5
191.08307	2.1
192.10271	2.9
200.07010	1.3
201.06586	2.1
202.08760	2.8
203.08115	11.5
204.06514	5.7
206.08278	1.5
213.10208	1.3
217.09767	7.1
218.08109	2.2
227.08324	1.7
228.10147	1.5
229.06117	3.9
234.10020	2.6
235.10750	2.7
241.09825	1.7
243.07800	1.8
243.11301	3.8
244.09741	2.7
245.09256	12.3
245.12805	1.4
246.07608	2.6
257.12848	3.6
258.11307	8.0
259.11121	1.8
261.08743	4.2
261.12320	2.5
263.10275	15.5
269.09378	1.6
269.12967	4.4
271.07220	1.4
271.11383	1.4
271.14297	2.2
274.13229	2.3
275.13864	8.4
276.12228	1.5
286.15576	4.1
287.10208	9.3
289.11823	1.4
301.11777	13.0
305.11313	38.7
307.12927	1.7
314.14990	11.0
331.09341	1.5
339.17090	2.5
353.18585	3.9
363.16992	6.7
365.18591	2.1
366.18106	3.6
378.18277	1.7
380.19736	2.9
381.18063	16.6
391.16537	4.3
398.20792	2.8
406.17368	5.6
408.19119	5.7
409.17590	41.7
420.19327	2.0
426.20294	43.5
427.19232	3.5
438.19931	1.3
444.21320	30.8
452.18240	27.4
468.17429	2.2
470.19104	6.3
477.21408	1.7
571.25623	2.4
589.17902	2.1
589.26605	27.9
607.27618	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.01890	2.1
58.76492	0.8
67.05500	3.3
70.82506	1.7
76.89108	0.8
78.48683	0.7
79.05508	1.2
81.07039	1.0
91.05487	8.4
93.05795	2.1
93.07067	6.3
94.06566	3.0
95.04972	1.5
96.04516	1.7
107.07369	1.1
108.08128	11.8
110.06053	2.0
118.06547	1.8
119.04955	7.0
120.08073	1.4
121.06539	2.9
121.10140	0.9
122.06042	8.7
122.09674	7.2
123.05592	0.8
123.06816	2.5
124.07623	5.1
136.07588	19.9
138.09151	18.5
146.06007	1.7
147.04425	4.2
149.07150	1.9
150.05539	1.1
156.08060	1.0
160.07570	1.0
160.24210	0.8
162.05515	0.9
163.08635	2.1
164.07082	100.0
164.10786	2.8
172.07585	1.2
174.09222	3.7
175.08603	1.1
176.10728	2.2
177.06639	4.5
181.09756	3.9
188.07179	1.9
190.08664	1.2
191.08177	6.0
192.10260	2.9
199.08736	1.0
200.07173	2.3
201.06731	1.5
201.10213	1.2
202.08691	3.4
202.99503	0.9
203.08191	9.7
204.06627	5.4
205.09869	0.8
206.08151	1.3
213.10258	1.3
215.08249	1.2
215.11792	2.3
216.10294	1.2
217.09773	8.3
218.08253	1.3
227.08232	0.9
227.11699	0.8
228.06693	1.3
229.06134	4.0
230.08197	3.6
231.07617	1.0
231.11343	1.3
234.10019	1.5
235.10860	1.8
241.09729	1.9
241.13298	0.9
243.07681	2.3
243.11374	2.3
243.14973	1.2
244.09840	2.3
245.09282	9.7
245.12936	1.9
246.07709	1.9
247.10863	1.3
248.09250	1.4
257.09262	1.7
257.12888	2.6
258.11285	3.5
259.10831	1.7
261.08792	5.6
261.12537	1.5
263.10303	13.5
269.09436	1.3
269.12979	4.1
271.07224	3.1
271.10764	0.9
271.14221	1.0
271.27792	0.9
272.09164	1.2
274.13239	1.5
275.13815	5.4
286.15552	4.9
287.10297	10.3
289.08307	1.5
289.11868	2.6
299.14005	1.2
301.11847	13.9
305.11322	28.2
307.12936	3.3
313.08328	1.1
314.14978	16.2
321.16046	1.0
322.15179	1.4
335.49881	0.8
336.16925	1.0
339.17053	1.9
353.18710	1.5
363.16928	2.4
364.16098	1.2
366.18207	3.7
378.18240	1.9
380.19983	1.4
381.18167	7.5
382.16702	1.4
391.16531	2.3
406.17801	2.8
408.19131	5.9
409.17612	14.9
420.19431	3.0
424.18796	2.7
426.20322	27.0
427.18869	1.8
434.17319	2.2
438.20206	2.6
444.21384	26.3
445.21588	1.0
450.16196	1.6
452.18182	19.7
468.17493	1.4
470.19357	5.5
477.21500	2.8
543.25903	1.3
571.25476	3.2
589.26624	30.0
590.26825	2.0
607.27686	32.2
607.37585	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49838	0.6
53.03935	1.4
54.59336	0.5
55.01867	1.2
59.63115	0.5
65.03945	1.4
67.05492	2.2
67.16251	0.5
68.05019	0.5
68.11854	0.6
68.16330	0.5
69.03429	0.8
69.07043	0.8
70.63111	1.3
70.63451	1.0
70.99895	0.7
79.05518	1.6
81.07050	2.1
91.05479	8.3
93.05785	1.3
93.07048	8.2
94.06572	1.2
95.04971	2.0
95.08604	1.5
96.04491	1.2
97.06544	0.7
100.42640	0.5
105.07038	1.0
108.08128	10.8
110.06040	2.6
118.06547	1.2
119.04953	9.1
119.08553	1.1
120.08057	0.9
121.06501	3.6
121.10187	0.9
122.06036	4.7
122.09631	1.2
123.06857	0.7
124.07610	7.3
136.06512	0.8
136.07574	16.7
138.09154	8.8
146.06015	0.9
146.84048	0.5
147.04430	4.8
149.07079	1.0
149.09537	0.8
150.09010	0.6
160.07628	0.9
163.08627	0.8
164.07077	81.3
164.10693	3.7
170.09593	0.8
171.10400	0.7
172.07568	0.7
174.09149	1.6
175.05147	0.7
175.08699	1.3
177.06650	0.8
178.08534	0.6
181.09769	0.8
186.09122	0.6
188.10716	1.3
189.10258	0.7
192.10196	2.3
198.09067	1.0
199.09966	2.1
201.08023	0.8
202.08777	0.7
203.08160	2.7
204.06479	1.0
206.08105	1.2
212.10741	2.2
216.10413	2.8
217.09705	1.7
218.08185	4.4
219.08897	0.8
220.09773	1.3
226.08630	0.7
227.08107	0.7
228.06665	1.0
228.10155	3.9
229.13266	0.7
230.11789	2.2
234.10034	1.3
235.10826	3.1
240.10185	2.3
241.13309	0.7
242.11743	1.0
243.11203	0.7
243.88339	0.6
244.09676	3.4
245.09250	3.4
246.07652	0.8
257.12842	2.4
258.11282	25.4
259.10901	1.0
259.14285	0.7
260.12915	1.8
261.08713	1.7
261.12415	2.1
263.10205	4.9
269.12885	3.0
271.14496	1.1
272.09113	0.9
274.13135	2.1
275.13855	6.2
279.14774	0.7
286.10638	0.9
286.15579	3.6
287.10413	2.9
289.11948	0.9
293.16553	1.9
301.11658	2.8
305.11322	7.9
314.14951	7.1
321.15927	1.1
322.14713	0.6
335.17474	2.5
337.15436	0.9
337.19086	1.1
338.17789	1.0
345.15955	0.8
347.17520	0.7
353.18530	9.7
361.12146	0.7
363.17105	8.0
365.18658	2.6
366.17474	1.4
380.19940	0.8
381.18124	34.9
391.16583	11.4
394.15332	1.0
406.17917	0.9
407.16663	0.6
408.19177	2.1
409.17596	100.0
410.17914	1.3
426.20319	27.7
444.21341	9.3
452.18286	9.1
468.17258	2.2
470.19540	0.8
571.24512	0.7
589.26538	15.1
607.27637	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	607.2555
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
62.37146	0.2
67.05517	0.3
67.05927	0.2
69.31773	2.0
73.50943	0.2
79.05502	0.3
83.08602	0.3
91.05503	0.3
95.08636	0.2
105.07035	0.3
140.30629	0.2
176.09090	0.2
207.09303	0.3
208.10051	0.3
209.10703	0.4
220.86475	0.2
221.10785	0.5
222.11678	0.3
223.08904	0.2
225.10469	0.2
249.10219	0.3
272.11481	0.2
274.10480	0.2
310.13586	0.3
312.14957	0.3
337.86417	0.2
338.16409	0.3
352.14169	0.3
373.14743	0.4
374.15234	0.5
375.16165	0.7
376.17200	0.4
378.19382	0.2
387.16064	0.6
388.17068	1.0
389.17694	3.1
390.18576	1.3
391.19171	1.2
392.20508	0.2
401.17838	0.7
402.14108	0.4
402.18683	0.8
403.19495	4.9
404.20160	2.1
405.20883	3.1
407.22867	0.3
415.14795	0.3
415.19836	0.5
416.15604	1.0
416.20981	0.3
417.16428	4.6
417.21124	1.4
418.17740	1.4
418.21811	1.0
419.17795	0.5
419.22510	6.1
420.22946	1.0
430.17618	0.7
430.22388	0.3
431.18350	7.3
432.19165	3.0
432.41986	0.3
433.20132	3.9
442.18146	0.2
443.18912	0.6
445.20197	4.9
446.21051	8.5
447.21786	9.0
448.22568	0.7
459.17798	1.2
459.22263	1.3
460.18787	0.8
460.23993	0.3
461.19626	2.2
462.24704	0.4
463.20490	0.3
463.25134	0.7
473.19626	0.8
473.24802	0.4
474.20502	5.9
475.20993	4.8
476.22076	0.4
477.23376	1.0
478.23770	0.7
479.24002	0.3
487.21442	1.6
488.22189	0.6
490.23932	0.5
491.20087	3.1
501.22668	1.3
502.23343	0.3
503.24384	0.4
505.22403	1.1
506.23395	0.3
519.24133	14.8
520.24213	0.6
532.20911	0.3
536.23987	0.2
547.23456	11.7
548.23737	1.2
551.26556	0.6
561.24957	0.3
575.22565	0.4
579.25995	6.0
589.24847	0.3
607.25549	100.0
608.25940	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	607.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.5
55.05496	2.4
57.03449	0.6
61.87919	0.5
67.05520	3.5
68.99798	4.7
69.03431	1.0
69.07071	4.2
69.44663	4.0
71.04980	1.0
79.05505	3.0
81.03413	0.7
81.07070	4.9
83.04990	0.7
83.08632	2.6
85.02915	0.9
86.09688	1.1
91.05480	1.8
93.07042	3.1
95.04974	0.6
95.08603	3.3
97.06525	1.4
97.10168	1.2
105.07064	1.3
107.08583	2.4
109.06480	0.9
109.10139	1.1
111.00815	6.5
111.04424	1.7
115.67020	0.6
115.77345	0.5
117.07016	0.7
119.08593	1.5
121.02853	1.1
121.10134	1.3
123.08091	0.7
125.05977	0.9
125.09574	0.8
127.03951	3.1
129.06961	0.5
133.10167	1.4
135.08028	0.8
135.11652	1.0
139.03918	6.0
139.07584	0.7
145.10210	0.9
147.04425	22.2
147.11664	1.4
149.02353	1.6
149.05978	0.8
149.13257	1.6
149.42049	0.5
151.07503	0.8
155.04985	0.8
159.11687	1.0
161.09666	0.7
163.14809	0.6
171.04387	1.0
173.06024	1.5
173.13239	0.8
175.03949	6.3
177.01741	0.5
177.05476	1.5
185.06084	2.6
189.05493	2.0
201.05478	2.9
203.03406	100.0
205.01341	4.7
209.15294	1.3
213.05473	8.7
215.03395	3.0
215.07086	1.0
217.04997	1.4
218.48886	0.7
223.02368	1.8
225.05521	0.7
227.03328	1.3
229.01431	1.2
229.04944	1.5
241.04955	7.3
243.03137	0.7
243.06473	3.2
244.03566	0.8
245.04468	4.4
247.02385	6.3
251.16466	7.6
255.06502	1.4
257.04468	5.2
259.05933	0.8
269.04477	2.7
271.02420	1.9
279.15939	19.8
285.07666	0.7
287.05576	4.3
299.09421	0.6
313.03748	0.9
321.17026	4.9
327.15933	0.7
341.17493	0.6
353.17511	5.5
355.15378	2.3
367.19064	2.6
369.17007	8.5
371.18292	0.8
377.17517	1.7
395.18375	3.0
397.16525	22.8
413.19537	4.1
429.30844	0.6
439.17538	5.2
453.18390	0.6
463.17462	2.2
479.20459	1.5
481.18600	66.9
482.18567	0.8
523.19446	1.9
565.20935	1.6
589.20642	2.1
607.21527	48.0
607.29346	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	606.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.4
55.05508	4.8
65.76474	1.0
65.96678	1.0
67.05489	3.6
69.03438	2.5
69.07071	4.4
70.06589	6.0
71.05006	2.1
71.56838	1.6
72.08149	4.8
73.02915	1.7
79.05487	3.1
81.03396	3.7
81.07072	7.9
83.05006	1.3
83.08622	5.4
84.04505	2.4
85.02911	6.3
86.09710	19.4
87.00823	3.6
91.05453	2.6
93.07050	4.1
95.08612	7.6
97.02913	3.0
97.06534	2.3
99.04490	1.3
101.07101	1.3
103.76353	1.0
105.07022	4.4
107.04951	2.3
107.08612	5.8
109.02879	2.2
109.06502	4.3
109.10149	4.7
111.08120	1.8
113.06004	1.5
116.07122	8.8
116.71307	1.0
117.06978	1.5
119.04922	1.4
119.08585	5.1
121.06502	1.0
121.10163	4.1
123.08060	4.7
123.11700	8.2
125.06000	31.7
127.03894	2.0
131.08517	1.7
133.10139	4.1
136.07558	4.0
137.05954	1.7
137.09583	2.0
139.11134	2.0
143.08560	1.9
145.10129	2.6
147.08032	1.8
147.11667	4.3
149.09619	2.1
149.13228	2.1
150.09108	1.7
152.49646	1.1
153.05452	1.8
157.10132	2.4
157.13351	1.3
158.20541	1.1
159.11650	3.4
161.09601	2.0
161.13321	2.4
163.11145	3.1
165.05466	1.4
165.09102	5.4
165.12733	4.1
171.11604	3.3
173.09607	1.4
173.13214	3.4
175.11256	1.7
185.09590	1.5
185.13074	2.4
189.12752	4.8
189.16386	2.1
189.76295	1.1
193.08627	3.2
199.14685	3.8
213.12848	1.3
213.16379	4.0
217.15915	5.3
227.14021	1.3
231.13794	2.8
231.17491	6.6
235.16907	1.6
241.15877	5.0
245.15300	2.6
259.16949	10.8
263.16467	11.1
269.15479	2.3
277.18002	25.7
287.16473	10.8
295.19049	31.2
305.17459	25.8
322.23724	3.5
323.18549	100.0
324.18832	1.9
329.17657	1.7
340.24924	1.8
421.25803	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32902	3.7
52.99701	2.8
53.03951	21.9
55.01877	9.7
55.05516	27.0
57.03452	14.4
59.85618	3.1
65.03947	9.2
67.05166	5.8
67.05508	84.3
69.03439	17.8
69.07069	18.4
69.95876	3.0
70.01176	2.5
70.90648	8.5
71.01353	3.2
71.04990	9.7
79.05054	6.2
79.05503	95.9
81.03423	80.2
81.07064	54.7
83.04992	21.2
83.08631	9.9
85.02909	11.0
85.06538	4.2
86.09709	5.6
91.05489	80.8
93.07054	100.0
95.04965	30.9
95.08617	27.3
97.02884	21.2
97.06540	12.7
97.10185	7.1
99.04472	10.7
105.04562	4.8
105.07045	50.4
107.04959	16.6
107.08601	42.5
107.09269	3.3
109.02893	11.6
109.06532	11.7
109.10182	15.7
111.04472	5.0
115.05447	6.2
117.07018	24.0
117.23566	3.5
119.04900	4.8
119.08611	22.9
121.06501	7.6
121.10182	9.2
123.04449	3.4
123.08047	6.6
127.03916	13.0
127.98447	3.7
128.06281	4.4
129.07018	20.1
131.08653	17.0
133.06534	6.5
133.10126	15.2
135.08104	6.8
135.11720	37.0
136.82777	3.0
137.09654	4.6
139.43205	3.3
141.07016	4.5
143.08591	12.2
145.06522	6.5
145.10123	20.1
147.08073	4.3
147.11719	24.7
151.11240	3.7
155.08577	5.6
157.10246	3.9
159.08066	5.2
159.11693	3.2
161.09665	4.9
161.13257	9.7
163.11208	9.2
165.12746	3.8
169.10207	5.4
171.11679	22.7
173.13361	4.5
175.07544	3.3
181.12308	10.8
185.13332	4.9
189.12791	11.6
207.13776	23.3
251.14520	3.1
253.14485	5.0
255.15944	11.3
264.44449	3.4
269.15472	7.4
281.17566	11.2
283.15536	3.3
287.16516	4.6
325.16501	10.6
351.18036	7.7
381.19208	8.9
407.20493	5.8
461.29132	17.5
541.31073	5.0
587.32239	5.1
605.33325	82.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90210	0.5
67.05473	1.2
69.07030	0.7
71.55923	0.5
71.56317	0.6
74.84839	0.5
91.05441	0.9
92.91663	0.5
93.07016	0.7
94.06515	2.3
95.04922	1.1
108.08085	0.9
110.06035	1.0
117.06979	0.6
122.06039	5.4
124.07555	0.6
134.09627	0.8
136.07539	2.3
138.09148	0.7
140.07005	2.1
154.08661	7.3
162.09076	1.9
163.07510	0.7
164.07004	0.8
173.08405	0.9
178.08707	0.7
180.10201	4.4
181.09709	0.8
187.08633	1.0
190.08612	2.5
198.09099	0.9
199.08548	1.0
200.07077	0.7
200.09335	1.1
201.06567	5.6
201.10167	0.8
202.07341	4.0
208.09641	3.2
212.10719	0.8
213.10184	2.3
214.10912	2.1
215.08159	2.9
215.11758	1.6
216.10223	1.2
217.09705	7.0
218.08096	2.1
219.11322	0.6
227.08104	1.8
227.11769	3.3
228.10173	1.8
229.13278	1.8
230.11713	0.9
233.09232	1.2
235.10703	3.3
239.11813	1.2
240.10275	1.5
240.12743	0.5
241.09738	4.1
242.10475	1.4
243.07680	2.8
243.11212	1.9
244.09615	1.9
245.09343	3.8
253.13106	0.6
255.11327	1.1
257.09122	1.2
257.12891	3.8
258.11328	10.1
259.10788	1.5
260.07895	2.7
261.08725	38.8
269.09155	1.9
272.09064	0.9
272.12543	0.6
272.15262	1.3
273.12280	5.5
275.13837	1.7
283.10730	3.0
285.08688	2.0
286.09653	0.8
287.10272	18.0
299.13608	0.6
300.10913	2.7
301.11841	55.8
302.12256	1.1
311.55420	0.6
313.08246	1.2
315.09726	3.6
319.10507	0.6
319.14066	0.8
323.17365	0.6
351.17062	1.6
364.16473	0.6
365.15088	0.7
369.18213	1.1
379.16559	4.1
380.15887	0.7
394.17709	0.9
397.17621	7.2
398.17227	1.2
404.16071	1.1
407.15912	2.8
422.17084	4.8
424.18652	3.8
425.17126	11.8
426.16443	0.7
440.18240	0.8
442.19827	7.9
450.16714	10.3
452.17560	0.7
468.17691	100.0
469.18060	2.3
569.23761	0.9
587.25012	3.6
605.26062	48.9
606.26196	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39291	0.5
61.75438	0.6
65.41552	0.5
69.57436	0.6
69.82567	1.3
69.82970	1.5
70.12156	0.6
77.75153	0.6
79.05448	0.6
90.47223	0.6
91.05466	1.3
97.90760	0.5
98.21543	1.0
109.10064	0.6
119.04945	1.0
122.06046	0.6
122.09634	0.8
138.09135	0.8
147.04390	3.5
148.04753	0.9
154.14615	0.6
156.81377	0.6
162.05518	1.2
164.07019	0.6
191.80705	0.6
192.43109	0.6
217.09850	0.7
223.31607	0.5
225.10263	0.5
235.10725	0.8
245.09254	1.3
261.08786	2.1
263.10486	1.0
275.15460	0.7
285.12503	2.0
287.05545	2.1
287.10428	0.9
288.05951	1.2
288.11258	3.5
289.11951	0.7
291.13821	0.9
301.11829	2.7
302.13022	2.2
303.05045	1.3
303.13708	1.7
304.05435	1.1
304.14563	1.0
305.05460	0.7
305.11725	0.9
305.15292	2.2
316.14377	1.1
317.11581	0.7
317.15195	7.9
320.17557	0.7
332.14020	0.8
332.17590	1.4
336.13477	2.1
347.12723	4.3
348.13513	3.2
349.14432	1.4
350.15192	0.9
361.14233	2.5
362.11282	2.4
362.15100	1.8
363.15668	1.5
364.16495	7.5
376.12277	3.0
376.16843	8.0
377.14166	0.6
390.14474	2.6
391.15256	4.3
392.16095	1.8
394.17569	3.0
396.19229	1.2
404.16034	1.5
407.14484	0.7
409.17621	0.7
422.17130	77.0
423.17419	2.2
424.18759	1.4
426.20319	1.3
435.14389	1.2
442.19733	2.2
450.16461	0.9
468.17700	100.0
469.18054	2.9
587.24536	1.1
605.26044	58.4
606.26038	1.6
624.80267	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	6.6
55.01875	7.5
55.05524	19.8
57.03431	8.8
57.07065	10.3
57.72145	3.6
58.54919	3.1
65.03928	4.1
67.05506	31.1
69.07070	11.7
70.63213	5.5
70.63545	5.5
71.08642	3.8
79.05504	35.0
81.03422	5.6
81.07060	38.7
83.01356	7.0
83.04991	11.6
83.08619	13.4
85.06552	5.2
85.10165	4.8
87.04457	4.6
91.05492	59.6
93.07063	36.9
95.04980	6.0
95.08625	28.2
97.06532	6.1
97.10159	4.1
105.07039	33.0
107.04998	4.4
107.08589	19.3
109.10157	13.0
111.04460	3.4
111.08099	4.9
115.66966	3.5
117.07018	21.2
119.08593	30.1
121.06467	4.5
121.10118	18.1
123.08041	5.2
123.11643	4.1
129.07030	10.4
131.08598	20.3
133.10123	16.3
135.11732	12.4
143.08582	8.8
145.10117	20.0
147.11694	10.6
157.10094	5.3
159.11768	6.4
161.13252	5.8
163.01132	3.5
163.11220	19.5
171.11749	9.0
173.13420	4.1
175.14880	7.3
177.16425	4.4
181.12169	3.7
185.13379	6.4
187.14796	4.0
189.16447	8.2
191.10735	4.0
201.16328	3.7
203.17877	19.5
209.11705	5.2
219.42828	3.7
269.22617	20.3
283.15424	100.0
287.23709	14.0
293.21362	3.4
297.89774	3.3
329.16223	4.6
361.27463	28.0
459.38583	3.9
481.35727	4.0
559.13605	3.9
569.38300	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	603.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89200	0.8
67.05503	1.1
68.63080	1.0
69.07043	1.2
69.59821	5.1
79.05479	2.2
80.05000	1.7
81.07062	1.0
81.74861	0.8
82.06580	1.4
86.06086	1.1
91.05489	2.5
93.07037	5.4
94.06564	7.8
95.04996	1.1
95.07346	5.7
96.04475	2.4
96.08129	13.5
97.06531	1.6
98.21522	0.7
103.05453	1.6
105.07046	0.8
106.06552	6.8
107.07334	2.1
108.07423	1.0
108.08124	15.5
110.06043	2.8
110.09683	23.1
116.10745	1.9
118.06541	1.1
119.04948	1.1
120.08110	29.8
121.06509	0.7
121.08855	2.6
122.06053	1.4
122.09677	7.0
123.06782	1.1
124.07626	1.1
131.07285	2.1
132.08063	1.9
134.09666	1.8
136.03931	1.5
136.07585	12.3
138.09142	100.0
139.09480	0.8
139.60072	0.9
142.46599	0.9
146.09642	4.6
147.04382	1.3
147.11667	0.7
148.07613	0.9
150.05501	1.0
150.09158	2.1
152.07085	1.7
152.10713	1.2
160.07645	1.0
162.09120	4.3
164.07085	3.6
166.08588	5.4
171.09138	0.8
174.09148	14.8
176.10661	0.9
180.10190	2.4
182.09621	0.9
184.11328	1.0
188.07092	1.3
192.10199	7.0
196.09943	1.1
199.08614	1.1
199.12306	1.1
201.10236	1.6
206.08157	2.1
213.10231	2.5
214.10916	1.2
215.11810	5.6
218.08109	2.2
220.09673	4.2
224.10696	2.2
225.10245	1.4
225.13945	1.0
227.11786	4.9
229.13338	1.2
239.11841	1.8
241.09697	3.4
241.13342	2.7
242.10330	1.1
242.94235	0.8
243.11328	3.5
243.14922	1.1
245.12907	1.0
251.11821	1.8
252.10201	0.8
253.09650	2.0
254.10548	1.7
255.11259	5.1
257.12860	3.2
259.10876	3.0
259.14633	1.2
261.12314	6.6
267.11319	1.8
268.12057	0.8
269.12854	5.9
273.12329	4.2
275.13992	1.1
285.12302	1.6
285.15958	2.2
287.05475	1.0
287.13885	10.9
289.15421	1.7
295.10858	2.2
297.12378	5.7
301.11893	0.9
303.04971	1.5
313.11807	11.7
313.15326	1.2
315.13367	47.0
317.14966	2.2
326.23236	1.6
327.23572	1.8
374.18814	1.0
389.18439	1.5
392.19873	1.5
394.21570	0.8
406.21378	1.5
407.19678	0.8
420.19153	1.1
434.20764	10.1
438.20163	5.1
452.21851	47.3
453.21991	1.3
462.20322	6.4
480.21335	59.3
481.21606	1.9
557.27612	21.2
575.28662	30.6
576.28662	1.7
585.27002	2.7
603.28070	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	603.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.9
54.44487	0.7
65.19132	0.6
67.05490	1.2
69.92813	3.1
71.44835	0.6
79.05473	1.8
80.05039	1.0
81.05804	1.2
82.06583	1.6
86.06070	1.5
91.05468	1.7
93.07056	5.6
94.06573	5.9
95.04988	1.3
95.07349	6.1
95.08603	0.9
96.08141	13.6
97.06545	1.3
97.54122	0.7
98.21455	0.8
103.05505	1.2
105.05732	1.0
105.07027	1.0
106.06558	1.0
107.07328	2.5
108.08115	8.0
109.05266	1.2
109.08861	1.3
109.10120	0.9
110.06086	0.8
110.09686	25.9
120.08117	18.2
121.06506	0.8
122.06044	1.4
122.09692	3.5
123.06863	0.9
124.07596	1.2
131.07332	1.5
132.08081	0.8
134.09683	1.1
136.03967	0.8
136.07588	7.4
138.09146	88.3
139.09410	0.9
140.10730	3.7
144.08102	0.8
146.09656	2.2
147.04434	0.9
148.07668	1.5
149.04910	0.8
150.05408	1.1
150.09161	1.0
151.06400	0.7
162.09172	1.6
164.07086	2.6
166.08652	18.3
172.11301	0.9
174.09149	6.2
180.10152	1.1
188.07118	0.7
188.10580	0.7
192.10187	4.0
196.11368	1.0
197.10667	1.7
199.12318	2.9
200.10802	1.7
201.10338	1.5
204.13849	0.9
206.08179	1.3
213.10272	2.1
215.11829	3.6
218.08070	1.0
220.09718	4.5
223.12369	1.2
224.10716	4.0
225.10262	2.1
227.11760	5.2
239.11758	3.3
240.09047	0.9
241.09666	3.4
241.13393	2.3
242.10274	1.6
243.11310	6.9
251.11838	4.0
252.09003	1.6
253.09784	5.8
254.10448	3.3
255.11304	14.9
256.11954	1.5
257.12881	0.9
259.10828	1.6
261.12415	9.7
267.11331	3.9
268.12057	5.5
269.12869	9.0
270.11316	1.0
271.14496	0.9
273.12341	2.6
283.10977	0.9
285.12335	2.6
287.05508	1.1
287.13913	8.0
295.10831	6.7
297.12332	10.6
298.09427	5.2
299.09973	0.8
313.11847	38.8
314.12357	1.5
315.13385	100.0
316.13638	1.7
327.13159	1.1
347.17282	1.0
389.25882	0.8
390.18124	2.5
406.21634	0.7
410.20190	0.9
434.21259	3.4
438.20343	9.7
447.18991	1.4
452.21780	21.8
462.20197	9.3
464.21991	4.2
480.21329	48.0
481.21631	1.8
557.27631	3.3
575.28589	8.1
585.26990	3.7
587.51251	0.7
603.28107	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	603.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	1.5
69.03442	1.4
69.53068	2.0
69.53500	2.9
81.03397	1.0
82.99830	1.3
84.96018	1.1
85.02904	1.6
89.03909	2.7
97.02895	3.4
98.21510	1.3
98.97578	5.6
101.00880	11.1
105.00350	0.8
109.02866	2.5
110.97569	2.0
112.29361	0.7
113.00888	1.9
115.02420	1.3
116.98613	2.7
117.03369	1.8
119.01929	26.1
119.04972	1.2
127.02420	2.7
127.21949	0.6
128.98636	2.5
129.00287	1.1
130.46858	0.6
131.01915	10.9
133.03493	1.1
135.04440	5.4
137.02945	2.4
139.02386	1.0
140.98595	0.8
142.09502	0.7
143.00208	1.1
143.01907	22.7
143.57408	0.8
145.03642	10.6
146.99702	1.3
147.01370	1.0
147.04378	4.9
149.03011	1.0
153.03963	0.8
155.01901	17.9
157.03459	8.7
158.99632	1.1
161.02959	21.9
163.03903	80.4
164.04266	1.3
167.01915	10.5
169.03497	5.0
170.99706	2.1
171.05048	3.2
173.02971	23.6
175.04562	2.1
177.00761	1.6
177.02383	0.7
179.01892	5.8
181.03413	1.4
182.99713	1.3
185.01112	2.4
185.02971	46.8
186.03044	0.9
187.04570	3.9
189.00717	1.9
193.03554	1.3
195.05038	1.0
196.04630	0.8
197.01196	1.6
197.02957	20.6
199.04520	2.1
201.00743	4.1
203.01965	4.9
203.04027	11.5
205.03465	1.2
208.04474	0.9
209.02948	3.6
215.04034	10.5
219.01797	4.6
221.02971	78.8
221.04878	2.8
222.03181	1.6
224.04590	1.2
227.04031	11.7
230.62978	0.7
231.01901	0.9
235.04521	2.3
237.02823	1.4
239.02159	5.9
239.04037	17.9
243.01886	2.0
244.04630	1.6
245.02940	9.2
245.05093	100.0
246.05371	1.5
247.04630	1.6
253.05766	1.7
257.05322	20.9
259.02054	0.7
259.04410	4.1
261.02585	13.3
263.04001	23.0
263.06262	8.2
275.06332	10.9
277.00281	1.0
277.05554	5.4
279.03607	15.1
281.05106	62.7
282.05319	2.1
289.05426	1.3
291.03784	1.0
291.07123	1.2
293.07465	4.9
295.06693	8.5
297.02734	3.7
299.06393	8.9
304.06772	1.4
305.07578	8.5
307.06598	2.2
311.06366	1.3
317.04965	5.6
319.06522	1.1
321.04730	7.9
321.10233	1.2
323.06131	1.3
325.07651	1.3
333.04535	1.4
335.05743	1.4
335.08835	1.3
339.05649	69.3
340.05850	1.6
347.05762	4.8
351.05911	4.2
353.07166	1.7
357.06714	7.9
362.07208	3.3
363.05548	1.5
365.07065	36.6
369.06671	10.6
381.06680	22.3
383.08151	8.0
399.07800	7.8
411.07663	2.5
423.07724	15.2
441.08755	28.3
545.12219	4.8
603.13770	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	603.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16034	0.8
65.03938	0.9
67.05482	1.1
69.41882	4.6
79.05504	1.7
80.04999	1.8
81.05775	0.9
82.06560	1.6
86.06058	2.0
91.05482	2.8
93.07050	5.1
94.06564	5.5
95.07362	5.3
96.08133	12.5
97.06545	1.5
103.05489	0.8
106.06552	1.7
107.07353	1.3
108.08147	8.2
109.08859	1.2
110.06029	0.8
110.09695	24.4
120.08116	17.9
121.06499	1.1
122.06039	2.7
122.09672	4.6
123.06808	1.6
124.07625	1.0
132.08058	0.8
136.03900	1.1
136.07597	7.5
138.09154	89.6
139.09497	1.4
140.10692	3.5
146.06038	0.7
146.09660	2.5
148.07587	1.6
150.05473	0.7
150.09122	1.0
151.06366	0.7
158.08417	0.8
160.07614	1.0
162.09164	1.4
164.07066	2.4
166.08655	17.7
168.10243	0.9
172.11241	0.8
174.09154	5.5
177.06746	0.9
180.10193	1.2
188.07079	1.2
192.10173	3.6
196.11232	0.8
197.10730	0.9
198.09105	1.3
198.40424	0.7
199.08656	0.9
199.12329	2.5
200.10822	1.8
201.10307	1.4
202.08620	1.0
204.13834	0.9
206.08092	0.9
211.12437	0.7
211.83247	0.6
213.10266	1.9
215.11816	2.9
216.58853	0.8
220.09656	4.0
224.10791	2.9
225.10298	2.2
226.10881	1.2
227.11731	6.4
239.11790	2.6
240.08966	1.1
240.12575	0.9
241.09727	3.0
241.13350	3.5
242.10484	2.0
243.11273	7.1
251.11848	3.6
252.09198	1.0
253.09700	6.1
254.10471	3.6
255.11296	14.5
256.12198	1.9
259.10767	2.3
261.12378	7.4
267.11423	4.3
268.12100	5.5
269.12918	7.7
271.14267	0.9
273.12326	2.4
279.11249	0.9
283.10410	0.8
285.12360	2.9
287.05521	1.7
287.13904	9.0
289.15649	0.9
295.10806	6.3
297.12317	9.4
298.09369	6.5
303.13583	0.8
313.11847	38.1
314.12439	1.5
315.13406	100.0
316.13873	1.6
331.13120	0.9
347.17444	0.9
390.17993	2.2
392.19803	0.9
401.18594	0.9
406.21170	0.9
434.20786	2.4
438.20282	12.0
452.21805	19.9
462.20370	6.6
464.21570	3.4
480.21356	52.9
481.21436	2.3
557.27844	3.6
575.28528	8.1
585.27051	3.8
603.28046	7.8
634.90527	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.3
54.10961	2.1
55.05504	10.8
57.07077	10.2
65.03941	2.8
67.05508	18.6
69.03419	7.7
69.07093	12.3
70.01553	3.0
70.01945	5.7
71.08651	2.6
79.05501	18.3
80.05891	1.8
81.06566	2.5
81.07061	23.9
83.04984	4.7
83.08610	7.5
85.06548	3.1
85.10168	2.0
87.04458	3.2
89.06025	11.2
91.05482	25.5
93.07056	38.4
95.04983	9.9
95.08611	23.6
97.06530	4.9
105.06401	1.8
105.07037	46.0
107.08609	24.3
109.06541	10.5
109.10175	14.8
111.08072	3.6
113.76215	2.0
115.05415	2.8
116.06236	2.4
117.07021	13.6
119.08592	41.5
121.06494	4.9
121.10149	25.3
123.08100	14.0
123.11732	2.9
125.06004	2.5
125.09611	2.3
128.06227	5.0
129.07013	9.9
130.07774	2.4
131.08592	23.4
133.06383	2.5
133.08583	6.9
133.10150	26.8
133.11108	3.2
135.08060	10.5
135.11716	10.0
137.09618	14.0
141.06984	2.5
142.07791	8.4
143.08574	15.3
144.09100	3.1
145.10143	33.6
146.10590	3.4
147.08073	22.9
147.11691	8.2
149.09608	7.2
151.07578	12.3
154.07770	2.6
155.08553	6.0
156.09315	7.6
157.10161	20.1
158.10818	2.5
159.08054	2.8
159.11710	16.4
161.09612	7.2
161.13274	8.9
163.11220	7.3
165.06961	3.0
165.09134	51.5
167.08582	4.5
167.10667	5.5
168.09308	4.3
169.10129	11.7
170.10706	2.3
171.11705	12.3
173.09645	3.5
173.13257	9.0
175.11229	3.8
175.14865	5.2
177.11234	2.5
179.08623	3.8
180.09447	2.6
181.10107	6.0
181.12230	6.9
182.10913	3.3
183.11708	13.1
185.09628	2.0
185.13214	8.1
187.14877	5.3
189.12837	5.3
191.14265	3.2
193.10208	2.6
193.12234	3.6
194.10854	4.5
195.11700	7.6
195.13692	2.2
196.12360	2.8
197.13206	9.2
197.25621	2.0
199.11330	2.8
199.14757	2.7
203.14326	16.1
207.11630	5.7
207.13808	6.3
208.12401	2.9
209.13240	8.7
210.14023	3.8
211.14766	6.5
213.12750	3.1
213.16335	3.4
219.13826	2.3
221.13359	5.4
221.15376	100.0
222.13744	2.6
223.14839	5.1
233.15338	4.7
235.14757	4.5
237.16444	4.0
247.14699	2.5
253.19652	2.0
263.18076	2.2
265.19843	3.5
283.20520	2.3
285.18576	2.7
287.20157	5.3
299.20132	3.9
301.21619	2.2
311.31757	2.2
313.21573	3.2
325.21719	2.2
365.24820	2.5
366.25092	2.6
367.26318	4.9
455.75778	2.1
491.34909	6.5
509.36252	4.7
521.36078	5.3
583.41333	11.6
601.42700	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.0
55.05511	5.7
57.07086	9.1
59.04998	2.6
65.03938	2.2
67.05510	11.4
69.03429	6.8
69.07073	6.9
70.83039	2.7
74.50555	1.1
79.05492	13.5
81.07050	18.7
83.04974	3.9
83.08630	1.5
85.06548	4.9
88.18726	1.2
88.46012	1.2
91.05486	22.4
92.05801	1.9
93.07051	34.6
94.07346	1.7
95.04970	8.2
95.08607	20.3
96.08942	1.2
97.06543	3.1
103.05454	1.8
105.07034	39.8
107.04972	1.6
107.08602	20.4
109.06510	9.5
109.10184	10.8
111.04429	1.3
111.08058	1.6
115.05505	1.9
117.07024	9.1
119.08585	42.3
120.08885	2.5
121.06525	5.5
121.10150	19.8
122.10504	1.7
123.08065	16.4
123.11734	1.5
124.08405	1.6
125.05990	5.3
125.13071	1.2
128.06189	4.5
129.07027	5.7
130.07791	2.7
131.08568	16.0
132.09039	1.3
133.06505	3.3
133.10138	19.4
134.10437	1.9
135.08073	12.3
135.11707	7.3
136.08485	1.5
137.09625	12.2
139.07509	1.3
141.06993	2.7
142.07837	5.5
143.08583	12.6
144.09288	5.1
145.06528	1.6
145.10133	31.9
145.11279	2.0
146.07162	1.4
146.10454	1.6
147.08055	25.3
147.11673	8.1
148.08498	1.6
149.09639	5.3
151.07556	14.6
151.11142	1.3
153.09135	2.8
155.08534	4.3
156.09360	6.7
157.10115	18.5
158.10393	3.0
159.08061	4.0
159.11697	15.8
160.12032	1.6
161.09654	5.9
161.13248	6.6
163.11163	10.9
165.07013	1.9
165.09116	49.0
166.09474	4.4
167.08601	3.2
168.09331	2.9
169.10135	8.5
170.10854	3.7
171.11716	10.4
172.12357	1.6
173.09576	3.7
173.13255	6.6
174.10129	1.3
175.11197	4.7
175.14854	5.2
176.11562	2.8
177.12784	1.8
179.08517	2.7
179.10678	1.5
180.09314	1.5
180.11522	1.4
181.10268	5.6
181.12218	9.9
182.10913	4.1
183.11725	10.5
184.12109	1.4
185.09659	1.9
185.13240	7.7
187.11250	2.2
187.14856	4.2
189.12752	4.6
190.13246	2.5
191.10565	1.5
191.14217	1.7
193.10121	3.0
193.12181	4.4
194.10825	3.4
194.12552	1.2
195.11703	6.3
195.13808	1.7
196.12488	2.3
197.13138	6.3
198.13725	2.3
199.11198	2.8
199.14896	1.6
201.12730	2.9
203.14330	19.0
204.14687	1.6
206.10890	2.0
207.11665	5.1
207.13788	7.5
208.12451	1.3
208.14442	1.6
209.13205	5.9
209.15120	2.8
210.13766	1.8
211.11203	2.0
211.14828	3.8
213.16293	2.6
215.14244	2.0
219.13837	2.2
220.12358	1.5
221.13464	4.2
221.15369	100.0
222.15665	9.7
223.14784	2.9
225.16315	2.3
229.15889	1.8
233.15366	2.6
234.16046	3.1
235.14825	3.1
235.16782	2.3
237.12836	1.3
237.16408	2.4
239.14212	2.2
239.17883	1.6
247.14775	1.2
247.16969	5.1
248.17409	4.7
249.16319	1.8
274.19281	3.2
275.19943	2.2
283.20514	3.3
285.18658	2.1
286.19260	2.4
287.20059	6.3
299.20087	4.1
300.20639	4.8
301.21814	5.4
311.20175	2.3
312.20847	2.2
313.21478	3.2
325.21747	2.9
326.22064	3.5
338.22284	1.7
340.23697	2.5
341.24146	3.7
352.23999	3.4
353.24323	5.3
361.24792	1.3
365.24771	1.6
366.25278	1.5
367.26218	6.4
375.27026	1.7
378.25412	1.5
393.27521	2.4
420.29733	1.8
421.30167	1.9
427.28171	3.4
428.28943	2.2
440.29276	5.1
441.29520	11.9
491.35083	9.7
509.35986	3.4
517.56207	1.3
520.35522	1.9
521.35852	10.9
565.40387	1.6
568.22449	1.5
572.21460	1.5
583.41119	10.0
601.42395	37.5
602.42908	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	16.0
57.07072	22.2
63.05032	10.4
67.05507	37.5
69.03448	10.9
69.07062	26.9
69.41259	10.8
71.57265	16.9
79.05492	43.9
79.66113	10.1
81.00966	10.2
81.07055	48.5
82.40252	8.6
83.08615	11.1
84.39353	9.4
85.06548	14.6
85.07668	17.0
91.05490	45.6
93.07063	76.7
95.04981	19.5
95.08609	56.1
97.06557	15.5
98.96625	9.5
105.07069	83.2
107.08633	50.3
109.06551	16.2
109.10171	34.8
117.06998	21.9
119.08597	100.0
121.06525	10.5
121.10161	40.4
123.08085	27.3
125.06066	16.2
129.06981	16.0
130.07779	18.5
131.08591	46.6
133.10162	55.5
135.08018	13.2
135.11740	30.7
137.09637	19.7
142.07828	16.8
143.08630	23.7
144.09175	9.4
145.10147	70.4
147.08040	20.6
149.09680	18.1
156.09329	10.4
157.10173	35.5
158.10518	10.8
159.11769	25.9
165.09157	46.4
169.10139	22.6
170.10921	11.8
171.11765	26.2
173.13322	18.9
175.14839	17.7
181.10179	14.4
183.11751	23.4
185.13248	32.1
195.11861	21.9
197.13310	14.5
207.14018	12.7
209.13223	22.8
211.14781	13.8
221.15370	96.3
222.15781	21.0
288.61786	12.6
338.26135	11.8
476.36572	17.0
568.42065	20.8
583.41797	13.8
601.42810	51.0
601.55688	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	601.423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.9
55.05521	22.9
57.07075	7.8
65.03938	7.0
67.05508	34.0
69.03429	15.1
69.07081	21.7
69.32948	26.2
71.04999	4.4
75.64238	2.7
79.05497	35.0
81.07061	42.8
82.07388	5.6
82.72209	2.8
83.04993	19.7
83.08626	17.0
83.09044	3.2
85.06564	6.5
91.05486	61.4
92.05804	4.9
93.07056	76.6
94.07385	4.4
95.04974	21.9
95.08610	29.7
96.08936	3.7
97.06531	15.8
103.05455	7.2
105.07043	100.0
106.07372	8.9
107.08604	66.3
108.08936	8.4
109.06528	18.7
109.10173	25.8
111.08084	7.6
113.09682	4.2
115.05451	7.0
116.06205	3.5
117.07033	26.8
119.08591	87.8
120.08925	9.1
121.06535	11.1
121.10149	62.2
122.10512	5.0
123.08079	24.5
123.11727	6.2
125.09637	14.3
128.06235	14.9
129.07031	22.9
130.07820	7.7
131.08571	44.0
133.06529	5.3
133.10139	56.6
134.10530	2.9
135.08076	19.4
135.11719	18.3
136.08406	2.7
137.09634	9.0
139.11194	5.6
141.07024	17.6
142.07843	24.4
143.08598	43.5
144.09186	10.3
145.06439	4.9
145.10139	67.1
146.10457	6.6
147.08057	15.2
147.11734	18.8
149.09630	16.0
153.06993	5.0
154.07706	4.7
155.08594	16.2
155.10643	5.5
156.09364	18.4
157.10158	54.2
158.10634	11.2
159.08109	16.3
159.11726	39.6
160.08658	4.0
160.12029	6.0
161.09666	15.5
161.13220	4.1
163.11185	11.2
165.06970	7.6
165.09108	10.2
166.07632	3.4
167.08566	9.7
167.10681	43.7
168.09286	6.9
169.10164	30.6
170.10794	10.1
171.11705	33.3
172.12163	7.1
173.09601	7.0
173.13261	21.2
175.11247	10.8
175.14832	7.4
176.11690	3.1
179.08620	10.1
180.09235	9.6
181.10139	19.5
181.12267	5.4
182.10791	12.1
183.11722	26.2
184.12210	5.5
185.09612	6.8
185.13271	19.6
186.13612	5.0
187.11086	5.0
187.14830	11.3
188.15237	3.1
189.12788	3.1
191.14287	5.7
192.09320	6.3
193.10077	16.0
194.10825	12.7
195.11674	24.3
196.08958	3.4
196.12282	10.5
197.13237	28.7
198.13667	5.6
199.11221	5.6
199.14879	10.4
201.12741	6.3
201.16394	4.1
203.14389	5.1
205.10150	5.0
207.11690	11.6
207.13649	3.6
208.12358	8.1
209.09843	3.8
209.13239	18.3
210.13757	7.0
211.11104	4.0
211.14807	13.2
212.15250	5.5
213.12764	8.1
213.16345	4.6
215.14299	6.1
217.10132	4.4
217.16039	3.5
219.11639	6.8
220.12338	6.4
221.13237	14.8
221.15434	15.7
222.13667	6.3
223.14786	19.7
224.15253	5.5
225.12796	5.9
225.16373	10.6
227.14360	6.2
231.11656	3.8
232.12299	4.0
233.13268	6.7
233.15337	26.5
234.13852	6.4
234.15967	3.8
235.14778	12.9
236.15508	5.8
237.16397	10.5
238.16917	3.6
245.13275	6.4
246.13959	3.6
247.14790	5.0
248.15285	5.7
249.16451	8.0
251.17941	3.9
255.17496	8.2
256.17807	6.5
257.19061	6.0
259.14764	4.9
260.15405	4.1
261.16354	4.4
262.16885	3.5
263.17914	4.8
265.19513	6.3
269.19043	7.2
273.18719	3.1
275.17743	4.5
277.19208	3.7
281.19199	4.4
283.20575	6.0
285.18579	5.0
289.19415	4.0
291.20663	3.1
293.18961	4.2
295.20416	5.9
299.20169	5.2
333.22128	3.1
347.23859	3.5
365.24741	3.2
366.25253	4.2
379.25851	3.4
383.25922	4.5
513.85339	3.1
583.41309	9.5
601.42560	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	600.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.9
55.01862	2.5
55.05516	21.7
57.07083	9.2
59.05000	2.2
65.03935	5.7
67.05506	32.0
69.03439	11.7
69.07075	21.2
71.04983	6.9
73.62914	1.6
79.05502	33.8
81.03400	2.5
81.07063	40.5
83.04987	17.9
83.08628	11.5
85.06558	8.6
85.10162	2.0
87.04457	3.8
89.06024	6.6
91.05486	59.4
93.07050	67.0
95.04987	23.2
95.08613	35.3
97.06532	18.3
97.10173	3.4
103.05468	4.2
104.04029	1.9
105.04521	2.3
105.07038	100.0
106.07827	3.5
107.04971	5.3
107.07870	3.3
107.08604	68.0
109.06528	19.0
109.10162	29.0
111.08079	6.2
113.05964	2.2
113.09650	5.1
115.05423	9.3
116.06248	5.3
117.07026	25.8
118.07728	1.6
119.08588	76.3
120.09398	2.7
121.06520	13.0
121.09306	3.1
121.10153	52.2
123.08080	26.1
123.11684	5.9
125.09617	13.4
128.06212	19.0
129.07004	25.9
130.07820	10.4
131.08572	47.0
132.09351	4.2
133.06479	5.8
133.08562	4.9
133.10141	45.5
135.08066	20.9
135.11699	13.5
136.08813	2.2
137.09628	11.1
139.11191	6.6
141.07002	15.5
142.07794	31.8
143.08571	58.2
144.09369	16.3
145.06471	7.1
145.10136	73.4
145.11290	3.6
146.07254	2.3
146.10831	5.0
147.08072	12.7
147.11693	20.7
148.08817	3.0
149.09645	19.2
151.07596	7.9
153.07007	6.7
153.09084	2.1
154.07790	7.1
155.08577	27.4
155.10608	10.3
156.09346	29.2
157.06497	2.2
157.10141	72.7
158.10944	10.9
159.08060	20.9
159.11705	46.7
160.08882	8.6
161.09630	15.3
161.13278	10.2
163.11221	7.9
165.07024	11.1
165.09151	8.8
166.07758	5.8
167.08559	13.0
167.10690	15.1
168.09373	10.2
169.10133	35.8
170.10930	14.2
171.08156	4.1
171.10251	3.0
171.11699	51.2
172.08772	4.2
172.12465	4.2
173.09705	11.5
173.13275	24.6
174.10432	2.6
175.11189	21.0
175.14812	7.6
177.12666	4.1
178.07791	4.0
179.08575	13.8
179.10608	2.2
180.09413	9.4
181.10121	26.5
181.12201	5.1
182.10954	13.0
183.08011	1.9
183.11708	39.8
184.12437	6.8
185.09625	7.1
185.13266	27.7
186.10393	2.2
186.14041	4.6
187.11183	7.5
187.14804	10.5
188.12010	2.3
188.15642	2.1
189.12767	9.3
190.13547	5.8
191.08548	3.7
191.14238	8.5
192.09358	7.2
193.10161	21.3
193.11922	3.2
194.10876	13.3
195.11720	35.0
196.12419	8.3
197.09642	3.4
197.13246	33.1
198.14011	4.1
199.11208	9.6
199.14812	15.6
200.15686	2.4
201.12730	6.9
201.16360	3.0
203.14351	14.3
204.09332	2.2
205.10194	7.1
205.12126	2.0
206.10939	7.8
207.11705	19.4
207.13696	4.8
208.12482	10.9
208.14369	2.7
209.09886	2.0
209.13263	27.2
209.15134	3.5
210.13979	6.6
211.11218	6.2
211.14812	23.7
212.11992	2.6
212.15601	2.6
213.12744	10.9
213.16356	7.9
215.14325	10.4
217.10170	4.0
217.15862	4.9
218.10898	2.6
218.16728	2.8
219.11664	7.1
219.13789	4.6
220.12480	7.7
221.13231	16.0
221.15390	23.1
222.14111	8.0
223.11171	4.0
223.14810	21.5
224.15575	3.5
225.12805	9.0
225.16312	10.8
227.14273	6.9
227.17946	3.1
228.14948	1.8
229.15887	5.1
230.10869	3.2
231.11659	8.9
231.17342	2.0
232.12460	4.7
233.13235	8.7
233.15387	22.7
234.13956	4.2
234.16145	5.7
235.14847	12.6
236.15558	2.3
237.12744	2.1
237.16434	16.7
239.14273	5.7
239.17937	3.8
241.15826	6.9
243.11662	3.7
243.17479	2.2
245.13266	6.1
246.13997	3.6
247.14804	7.8
247.17056	2.3
249.16557	9.8
250.17146	2.1
251.14256	4.6
251.17975	5.8
252.18710	2.1
253.15891	6.5
255.17438	34.6
257.19070	2.2
259.14795	7.1
261.16385	8.0
262.17056	3.1
263.17950	7.1
265.15802	3.3
265.19534	7.0
265.25174	2.1
267.17398	4.2
267.20618	1.6
268.18219	2.4
269.19022	7.0
270.19748	5.5
271.16943	3.7
273.16071	3.9
273.18582	6.9
275.17728	3.4
277.19492	4.5
279.17459	4.0
281.19000	9.8
282.19803	3.0
283.17365	2.1
283.20508	4.4
285.18680	3.9
286.19342	3.7
287.20337	4.0
289.19598	4.5
294.19748	2.8
295.20636	5.5
297.18466	3.6
299.20050	6.0
307.20386	3.5
315.21027	3.3
317.18878	2.4
317.22397	1.9
333.21799	3.7
334.22678	1.9
335.23682	2.8
339.29114	2.2
345.22089	3.0
347.23557	3.7
352.24063	2.0
360.24414	5.1
365.24707	7.2
373.25259	2.0
383.25803	6.3
413.28760	1.7
520.35272	2.0
549.37225	2.0
567.38116	3.2
582.40900	2.8
585.40637	2.7
599.53796	1.8
600.41534	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	600.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.1
55.05516	21.0
57.07081	35.3
67.05506	27.6
69.03427	6.3
69.07066	21.4
69.35944	22.7
70.81244	2.7
71.04991	5.1
71.08631	26.0
71.93248	3.5
73.06544	7.4
76.11816	2.5
79.05492	26.6
81.07061	33.1
83.04984	11.2
83.08628	13.9
85.06529	9.5
85.10178	14.6
87.04463	9.9
89.06034	100.0
91.05489	45.2
93.07047	53.7
95.04984	18.7
95.08624	26.9
97.06532	10.2
97.10162	6.8
98.60949	3.0
105.07040	67.3
106.07867	3.4
107.07954	4.3
107.08605	49.1
109.06511	11.8
109.10168	27.2
111.11689	4.1
113.09701	3.6
115.05434	6.5
117.07001	20.2
117.09107	6.1
119.07787	4.4
119.08592	66.7
121.06494	9.8
121.10142	49.6
123.08066	22.6
123.11697	5.8
125.09620	8.9
126.49055	2.9
128.06223	12.6
129.07011	18.9
130.07768	8.8
131.08578	36.3
133.06461	5.2
133.08614	48.3
133.10136	35.9
135.08032	13.1
135.11684	15.0
137.09605	9.6
139.11157	3.3
140.24144	3.1
141.06989	10.5
142.07776	21.5
143.08569	39.5
144.09349	15.2
145.06534	4.6
145.10127	62.5
146.07277	4.1
146.10907	3.2
147.08110	7.6
147.11684	19.2
149.09610	15.4
149.13258	6.3
151.07567	6.1
153.07024	5.2
154.07866	3.1
155.08592	22.0
155.10680	8.4
156.09363	19.2
157.10138	56.5
158.10910	8.3
159.08063	14.8
159.11713	38.4
160.08836	6.0
161.09634	13.1
161.13213	6.7
163.11166	10.2
165.07005	10.2
165.09167	6.1
167.08559	14.5
167.10693	15.6
168.09334	7.9
169.10135	27.7
170.10873	11.1
171.07988	3.8
171.11725	39.6
173.09610	12.2
173.13318	16.7
174.13991	3.7
175.11203	12.4
175.14844	8.0
177.11243	21.2
179.08577	7.6
180.09331	7.4
181.10109	17.1
181.12181	3.0
182.10921	8.7
183.11685	32.2
184.12447	6.9
185.09660	3.9
185.13272	21.0
186.14095	3.6
187.11182	7.2
187.14787	7.4
189.12714	6.3
190.13579	3.1
191.14302	5.1
193.10155	14.7
194.10864	9.5
195.11736	23.2
196.12430	8.6
197.09532	5.0
197.13290	22.8
199.11186	5.1
199.14775	7.7
201.12791	4.5
201.16528	5.2
203.14369	6.0
205.10103	4.5
207.11742	19.2
208.12323	3.4
209.13303	25.2
210.14032	3.5
211.11212	4.0
211.14809	13.2
213.12782	6.7
213.16458	7.3
213.32352	3.6
215.14319	6.9
217.15874	5.1
219.11751	3.9
219.13707	4.5
220.12448	4.8
221.13271	11.6
221.15407	14.5
222.13902	5.4
223.14769	15.1
225.12796	5.6
225.16377	8.8
227.14369	7.6
229.15901	5.4
231.11757	3.9
232.12340	3.9
233.13210	7.0
233.15379	15.2
234.16130	5.5
235.14821	12.4
237.16386	10.3
239.14442	3.9
239.18002	3.5
241.15918	5.4
246.13857	3.6
247.14806	4.8
247.17053	3.8
249.16422	5.2
253.15976	4.0
255.17508	26.0
256.18442	3.9
257.24710	8.3
259.14749	3.4
261.16425	5.3
263.17911	6.9
265.19562	4.2
269.18881	7.8
270.19736	4.8
273.16171	3.6
273.18832	3.7
275.17966	4.0
277.19534	3.5
281.18964	5.2
283.20352	5.9
287.20175	5.4
301.27435	5.6
347.23404	5.0
365.24680	5.9
371.23019	3.3
383.25659	7.2
415.25290	6.5
486.63144	3.3
583.43604	4.4
600.41345	12.8
616.98499	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	600.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29017	3.1
52.36137	3.1
53.01051	2.7
53.03951	6.0
55.01873	5.0
55.05515	21.4
57.07067	11.6
60.32411	2.9
65.03957	4.6
67.05512	39.3
67.12824	2.8
69.03433	14.1
69.07075	22.4
71.04987	7.0
71.08619	3.2
79.05503	40.1
80.06276	3.7
81.07069	41.8
83.04993	15.4
83.08620	12.1
85.06550	7.8
87.04453	7.0
87.24244	3.2
89.06016	17.5
91.05486	62.6
93.07059	57.5
95.04987	23.2
95.08618	39.7
97.06531	16.0
97.10155	4.4
103.05464	6.2
105.07042	100.0
106.07856	4.0
107.04995	3.3
107.08611	70.8
109.06544	18.2
109.10170	30.1
111.08092	5.3
113.09628	4.8
115.05447	11.6
116.06264	3.7
117.07025	26.6
119.08588	83.0
121.06512	11.9
121.10152	57.9
123.08083	39.1
125.09642	14.8
128.06268	18.2
129.07011	25.0
130.07802	9.3
131.08578	49.7
133.06497	7.9
133.08647	7.9
133.10141	45.3
135.08066	14.5
135.11729	14.9
137.09639	17.3
139.11191	4.5
141.07002	10.7
142.07771	34.2
143.08583	53.1
144.09322	12.7
145.10143	77.6
147.08064	18.6
147.11705	25.7
149.09639	18.9
152.06189	3.2
153.06993	5.2
154.07764	5.7
155.08597	25.8
155.10681	12.9
156.09384	28.8
157.10144	74.9
158.10921	12.0
159.08089	22.2
159.11719	44.5
160.08919	4.8
161.09625	16.8
161.13249	9.2
163.11211	10.0
165.07072	8.3
165.09123	9.1
166.07864	4.5
167.08575	14.4
167.10701	14.8
168.09367	7.9
169.10159	36.0
170.10938	13.2
171.11700	48.1
173.09645	11.2
173.13205	25.1
175.11197	17.3
175.14819	10.3
177.12787	5.8
179.08562	12.8
180.09264	7.3
181.10129	21.0
181.12268	5.2
182.10881	17.3
183.11734	31.5
184.12498	9.2
185.09703	6.2
185.13289	22.7
186.10294	3.3
186.13879	4.4
187.11186	9.2
187.14796	12.0
189.12811	9.2
191.14322	9.1
192.09430	7.1
193.10156	23.7
194.10907	14.5
195.11723	29.3
196.12451	9.0
197.13287	34.2
199.11153	10.8
199.14854	17.3
201.12746	6.9
203.14308	13.0
205.10197	6.6
205.12222	3.7
206.10968	6.6
207.11707	22.7
207.13629	6.9
208.12511	12.2
209.13321	35.9
209.15129	5.3
210.14014	4.4
211.11143	4.7
211.14839	21.8
212.15636	3.9
213.12747	12.3
213.16409	3.7
215.14363	13.4
218.10872	5.5
219.11780	6.9
219.13821	3.4
220.12451	5.7
221.13271	18.1
221.15405	19.9
222.13980	4.7
223.14842	18.0
225.12845	5.7
225.16406	11.6
227.14343	10.6
229.10234	4.1
229.15895	6.0
229.76161	4.5
231.11707	6.6
233.13264	9.9
233.15404	17.8
234.16196	6.7
235.14890	11.1
237.16515	15.5
239.17917	6.7
245.13179	6.1
246.14027	6.8
247.14746	8.2
247.17020	5.7
249.16374	11.8
251.18138	4.7
253.15903	11.2
255.17470	33.1
258.14029	4.8
259.14825	4.0
261.16324	8.0
263.18085	7.6
268.18283	4.8
269.19019	7.9
270.19778	6.2
271.17108	5.7
273.18768	4.3
279.17453	3.9
281.18979	7.0
285.18561	5.5
286.19284	3.9
287.20169	4.9
289.19656	4.3
295.20679	7.8
297.22223	3.3
326.67828	3.6
347.23715	4.9
360.24203	5.5
361.25046	3.3
365.24963	7.4
383.25485	4.9
600.41394	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	600.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.7
55.05506	11.3
57.07076	16.4
59.05001	6.9
65.03926	3.5
66.71322	3.0
67.05506	18.9
69.03427	13.8
69.07066	15.2
70.17477	7.0
79.05500	36.1
81.07063	32.2
83.04993	17.1
83.08611	7.0
85.06543	7.7
87.38374	2.7
91.05488	46.9
93.07054	65.2
95.04975	22.9
95.08607	32.4
97.06516	11.2
105.07044	89.6
107.04975	4.4
107.08598	50.6
109.06532	27.4
109.10172	18.0
111.08089	4.3
115.05446	4.2
117.07016	26.6
119.08595	82.3
120.09330	3.0
121.06541	15.9
121.10152	50.1
122.07270	3.4
123.08076	28.9
123.11699	2.8
125.05981	10.9
125.09602	4.6
128.06174	19.0
129.07030	29.9
130.07790	10.0
131.08569	45.5
132.09341	3.8
133.06485	9.6
133.10129	46.2
135.08075	34.0
135.11717	12.6
136.08839	3.2
137.09648	21.5
139.07599	6.7
139.11122	5.0
141.07019	9.9
142.07790	30.1
143.08585	52.5
144.09337	13.2
145.06480	5.8
145.10138	72.4
147.08063	39.9
147.11716	17.6
149.09625	17.5
151.07558	20.5
151.11185	3.7
153.06927	4.3
154.07806	3.8
155.08566	19.9
156.09381	19.3
157.10136	78.5
158.10872	10.1
159.08087	18.7
159.11682	36.9
160.08829	3.6
161.09627	26.9
161.13310	6.8
163.11205	24.0
165.07010	8.7
165.09134	50.4
167.08582	13.7
167.10733	11.0
168.09331	6.4
169.10155	21.1
170.10878	11.6
171.08060	8.2
171.11684	40.3
172.12407	7.4
173.09665	16.0
173.13219	14.5
175.11157	28.0
175.14902	6.4
176.11942	5.4
177.09035	3.9
177.12752	6.2
178.07709	3.8
179.08568	9.2
179.10655	3.6
180.09346	5.6
180.11472	4.1
181.10126	20.0
181.12218	15.7
182.10876	6.4
183.11696	29.9
184.12402	4.3
185.09709	7.9
185.13248	25.4
187.11206	10.0
187.14755	4.8
189.12700	14.7
190.13611	14.2
191.08656	3.7
191.10643	3.9
191.14308	6.3
192.09399	6.0
193.10141	17.0
193.12260	9.2
194.10939	10.6
194.12865	3.6
195.11705	27.2
195.13557	6.1
196.12471	8.1
197.09639	6.2
197.13269	25.6
198.10406	5.8
198.14046	3.5
199.11203	10.9
199.14845	9.0
200.11884	4.4
201.12762	10.2
203.14307	26.4
205.10220	4.7
206.10907	5.4
207.11685	17.4
207.13821	26.5
208.12593	8.3
208.14584	5.2
209.09581	5.0
209.13313	21.4
209.15149	5.2
210.10428	3.7
210.14034	6.8
211.11272	7.4
211.14830	12.2
213.12747	12.0
213.16321	3.4
215.10645	3.6
215.14349	4.4
218.10985	4.4
219.11612	9.2
219.13661	6.7
220.12469	7.7
221.13248	9.1
221.15349	100.0
222.14024	5.1
223.11258	6.0
223.14787	13.9
225.12720	11.7
225.16391	9.7
227.14389	6.6
229.15909	4.4
231.11729	4.5
233.13257	11.2
233.15404	24.0
234.16112	12.5
235.14796	10.3
237.12720	7.9
237.14705	37.3
239.14403	8.5
244.12560	4.3
245.13196	6.7
246.14082	3.4
246.16406	4.2
247.14822	6.8
247.17009	12.8
248.14079	7.7
249.16373	7.9
251.14243	4.9
251.18039	4.8
253.15923	6.3
255.17480	19.0
259.17102	4.0
261.16370	9.0
263.14243	3.7
263.17938	3.8
265.16156	3.5
265.19263	3.8
267.17441	3.3
270.19894	6.0
271.16934	9.0
274.19260	8.6
275.17807	6.2
277.15845	4.0
277.19333	3.7
279.17465	8.8
281.19058	8.8
285.18512	9.7
286.19293	11.0
287.20120	7.6
291.17349	4.4
294.19815	7.6
295.20480	3.6
297.18628	6.9
299.20251	13.9
303.19547	41.7
309.18369	4.8
311.20071	10.3
312.20786	11.1
313.21552	16.4
319.20511	4.4
325.21609	40.9
337.21637	9.4
347.23795	5.6
352.19907	5.5
352.23993	70.8
365.24768	45.4
366.25684	3.8
377.24786	8.5
383.26514	3.9
489.33685	3.8
502.34433	8.8
503.35074	4.6
505.33075	4.0
507.34637	32.7
520.35468	31.7
567.38129	3.7
582.40607	4.7
583.41626	5.6
585.39240	7.2
600.41650	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	600.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.8
55.05512	17.5
57.07066	13.6
59.04998	4.8
65.03919	4.8
65.14504	3.2
67.05511	24.3
69.03441	14.1
69.07060	11.5
69.32735	14.1
69.33160	11.8
71.05003	3.4
77.03906	3.9
79.05496	29.1
81.07063	29.1
83.04984	13.6
83.08621	6.2
85.06564	5.6
91.05486	46.7
93.07058	65.4
95.04967	20.5
95.08617	35.7
97.06532	7.5
103.05510	3.3
105.07031	80.6
107.05003	3.1
107.08591	54.9
109.06503	18.8
109.10162	13.4
111.08091	7.6
115.05479	7.0
117.07053	20.7
119.08588	65.3
121.06529	14.5
121.10159	41.2
123.08057	25.0
123.11702	5.2
125.05955	6.9
125.09629	5.1
128.06218	12.8
129.07005	20.2
130.07776	9.4
131.08598	43.1
133.06509	9.0
133.10127	41.5
135.08063	34.5
135.11688	13.0
137.05974	5.8
137.09616	14.0
141.07008	10.3
142.07784	30.6
143.08565	50.4
144.09378	16.0
145.06398	5.4
145.10150	52.7
147.08060	34.9
147.11691	15.1
148.08907	3.2
149.09641	18.9
149.13283	3.7
151.07549	20.4
153.07043	4.7
155.08548	19.7
156.09372	19.5
157.10135	73.9
158.10886	10.8
159.08057	16.6
159.11694	37.2
160.08893	6.9
161.09651	19.7
161.13277	8.3
163.11177	19.8
165.07098	4.6
165.09125	41.4
166.07814	3.6
167.08575	8.9
167.10706	11.3
168.09317	5.8
169.10126	30.4
170.10927	14.5
171.11708	38.1
172.08969	3.7
172.12474	9.7
173.09662	19.1
173.13315	17.9
174.10457	5.4
175.11159	30.2
177.09163	4.7
177.12746	4.2
179.08595	10.1
180.09357	6.5
181.10155	17.4
181.12242	10.8
182.10915	11.0
183.11711	27.5
184.12456	9.1
185.09650	9.6
185.13297	19.7
187.11165	7.2
187.14888	4.8
189.12747	14.8
190.13531	10.3
191.10689	6.6
191.14359	7.5
193.10130	11.0
193.12280	11.6
194.10881	9.4
195.11682	24.7
196.12482	6.0
197.09619	5.2
197.13260	15.2
198.10403	5.7
199.11165	9.0
199.14880	6.3
201.12793	9.3
203.14323	31.4
205.10109	4.0
206.10945	7.7
207.11682	14.3
207.13832	20.6
208.12486	8.5
208.14575	10.2
209.13300	22.6
209.15193	5.0
210.13919	5.2
211.11139	6.1
211.14792	9.2
213.12813	11.8
213.16373	3.1
215.10605	4.0
215.14340	7.1
217.15831	3.1
218.16599	3.5
219.11736	7.0
219.13780	5.4
220.12450	6.9
221.13239	13.0
221.15343	89.2
222.15845	4.5
223.11201	5.3
223.14816	12.4
225.12781	5.0
225.16403	7.2
226.13782	3.2
231.11571	3.8
232.12436	4.4
233.13261	7.4
233.15253	24.7
234.16046	10.1
235.14766	9.8
235.16862	4.1
237.12697	8.0
237.14679	35.9
239.14433	4.1
245.13203	4.1
246.13998	4.3
247.14767	7.1
247.17014	12.2
248.13956	16.4
249.16469	7.3
253.15868	9.1
255.17413	21.9
259.17075	4.3
261.16382	12.1
270.19733	7.1
271.16995	7.3
273.16116	3.6
273.18753	4.3
274.19287	10.9
279.17484	7.0
281.19016	6.0
285.18536	7.2
286.19293	22.0
287.20053	9.1
294.19650	8.1
297.18549	4.2
299.20029	13.7
303.19595	49.7
309.18423	3.7
311.20065	3.8
312.20779	7.0
313.21625	12.3
319.20520	5.8
322.22733	3.4
323.20306	3.5
325.21658	17.3
337.21640	13.2
347.23804	4.7
352.23978	100.0
365.24738	23.1
377.24640	6.4
383.25897	4.0
391.26297	4.0
487.31979	3.7
502.34311	13.0
503.35162	4.6
505.33032	4.5
507.34796	13.4
508.34845	9.2
513.85773	3.4
520.35492	57.8
585.39124	3.9
599.33014	3.3
600.41846	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.7
55.05505	12.1
57.07073	12.5
59.04996	3.8
65.03931	4.8
67.05504	25.0
69.03437	15.0
69.07060	9.4
69.37218	26.1
71.04967	2.8
77.50005	3.1
79.05502	30.0
81.07065	33.6
83.04981	14.2
83.07413	3.4
83.08627	7.3
85.06554	8.4
86.61396	2.8
91.05482	52.8
93.07053	62.0
95.05013	20.1
95.08622	31.4
97.06549	8.2
103.05511	3.9
105.07035	83.1
106.06728	3.2
107.08614	46.3
109.06550	19.0
109.10160	10.9
111.08150	5.0
115.05456	4.6
117.07024	18.3
119.08588	65.2
121.06509	11.2
121.10153	39.6
123.08070	28.1
123.11710	5.2
125.06042	5.2
125.09663	5.7
128.06235	12.9
129.07036	21.7
130.07834	6.8
131.08580	35.8
133.06512	9.1
133.10149	41.2
135.08060	22.5
135.11694	13.2
137.09627	14.5
141.06995	8.9
142.07785	23.9
143.08577	46.6
144.09355	12.8
145.06488	4.8
145.10132	48.7
146.10944	3.1
147.08040	30.4
147.11700	18.1
149.09637	20.5
151.07565	15.8
151.11162	3.2
155.08519	14.6
156.09361	18.0
157.10132	62.5
158.10956	12.8
159.08083	13.7
159.11702	43.7
160.08693	3.9
161.09639	17.0
161.13312	7.0
163.11171	17.9
165.07018	5.3
165.09128	42.8
166.73471	3.1
167.08562	8.5
167.10719	11.7
168.09343	7.1
169.10124	30.0
170.10933	11.3
171.08064	6.3
171.11722	36.8
172.12511	11.2
173.09648	13.5
173.13251	14.3
175.11208	23.9
175.14908	4.8
179.08542	5.8
179.10687	5.3
180.09409	6.6
181.10121	17.4
181.12289	12.3
182.10977	6.4
183.11726	32.0
184.12482	7.7
185.09608	7.0
185.13278	18.8
187.11174	11.5
187.14832	7.6
189.12740	12.5
190.13559	12.9
191.10695	3.7
191.14355	7.6
193.10155	14.7
193.12254	8.3
194.10951	8.6
195.11734	24.1
195.13522	4.6
196.12549	7.9
197.09708	5.1
197.11690	6.3
197.13312	18.6
199.11172	7.2
199.14819	8.7
201.12814	10.4
203.14334	26.0
205.10124	3.3
206.10904	5.5
207.11697	11.1
207.13818	13.3
208.12717	5.8
208.14618	8.8
209.13303	23.2
209.15237	5.4
210.13936	4.0
211.11250	5.4
211.14874	9.6
212.12064	4.0
213.12874	8.2
213.16344	4.4
215.10832	5.1
215.14291	6.3
217.12263	3.6
219.11765	7.6
219.13815	6.4
220.12503	8.6
221.13283	10.8
221.15349	89.6
222.14032	4.1
223.11269	4.6
223.14856	9.4
225.12811	7.3
225.16470	6.2
227.14278	4.5
231.11635	6.8
233.13341	5.5
233.15422	22.4
234.13922	4.0
234.16077	8.8
235.14865	10.7
236.15372	4.0
237.14755	41.6
239.14520	5.4
241.15831	3.6
246.14238	4.1
247.14803	7.0
247.17044	7.0
248.14053	12.7
249.16348	4.6
253.15892	4.9
255.17484	25.8
259.16986	7.0
261.16220	6.2
268.18359	4.9
269.18979	3.1
270.19714	6.0
271.17029	7.4
273.16266	3.7
274.19351	14.5
279.17502	7.2
281.19077	6.2
285.18600	6.8
286.19330	11.3
287.20117	9.7
294.19720	8.3
299.20279	14.9
303.19580	59.9
312.20667	5.7
313.21606	20.0
317.19409	3.3
325.21667	12.7
329.22430	3.2
337.21695	12.4
352.23956	100.0
353.24460	4.3
365.24857	22.6
377.24841	8.5
383.26016	6.2
391.26172	5.2
487.32175	7.1
502.34412	12.3
503.34784	5.7
505.33133	9.8
507.34753	10.9
508.35223	4.5
520.35443	44.8
538.65161	3.1
582.40387	6.3
585.39355	5.3
600.41180	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	600.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.3
55.01849	2.8
55.05510	12.1
57.07074	12.1
65.03963	4.6
67.05515	20.7
69.03451	14.5
69.07087	14.4
69.67613	4.2
69.68026	10.9
70.18380	2.4
70.30870	2.8
71.05003	3.6
77.03950	3.0
79.05501	21.7
81.07059	29.9
83.04986	10.8
83.08598	3.9
85.06561	5.0
91.05495	45.5
93.07053	59.2
95.04983	24.9
95.08624	33.5
97.06542	8.2
103.05450	3.8
105.07043	78.9
107.08611	56.1
109.06538	18.4
109.10173	15.9
111.08086	5.6
113.09705	2.9
115.05495	6.4
117.07004	20.3
119.04907	3.2
119.08595	73.6
120.09370	4.0
121.06484	13.3
121.10164	42.6
122.07269	5.6
123.08092	24.8
123.11714	4.0
125.06004	6.7
125.09647	7.8
126.76235	2.6
128.06252	11.9
129.07025	22.1
130.07809	6.3
131.08586	41.7
132.09384	5.3
133.06505	7.9
133.10144	36.9
135.08086	24.1
135.11690	16.7
137.09671	15.3
139.07516	5.6
139.11137	2.4
141.06998	9.8
142.07784	29.9
143.08589	44.9
144.09319	15.5
145.06509	8.5
145.10146	55.0
147.08055	40.0
147.11699	8.7
149.09647	20.2
149.13248	4.1
151.07533	19.7
151.11197	3.1
154.07745	4.7
155.08546	16.7
156.09335	19.5
157.10147	73.9
158.07307	3.3
158.10869	10.2
159.08098	18.8
159.11725	36.6
160.08928	4.0
161.09625	22.6
161.13275	8.6
163.11281	13.2
165.07033	5.9
165.09131	51.4
167.08586	9.6
167.10724	13.2
168.09354	3.7
169.10118	24.4
170.10870	11.4
171.08110	3.6
171.11710	28.9
172.12451	7.3
173.09666	12.2
173.13290	11.6
175.11192	24.9
175.14801	3.2
177.09114	4.2
177.12872	3.8
179.08582	9.1
179.10736	4.9
180.09335	7.2
181.10172	14.4
181.12294	12.9
182.10922	7.1
183.11687	21.4
184.12383	2.8
185.09650	6.6
185.13271	26.4
186.13974	3.0
187.11218	11.1
187.14793	5.7
189.12714	13.1
190.13582	11.1
191.14278	5.3
193.10167	12.2
193.12282	10.8
194.10959	5.4
195.11702	20.7
196.12563	7.3
197.09692	6.5
197.11708	4.1
197.13342	19.4
198.13991	4.0
199.11247	9.4
199.14891	7.8
200.11974	4.2
201.12726	8.4
203.14348	30.7
205.10153	4.9
206.10954	6.6
207.11755	13.0
207.13832	14.2
208.12663	6.3
208.14648	10.1
209.13324	24.5
209.15202	4.2
210.13960	4.3
211.11220	9.1
211.14842	11.3
213.12772	11.6
215.10635	2.8
215.14354	7.2
216.14975	3.3
217.10341	3.0
219.11760	5.8
219.13850	8.1
220.12595	5.8
221.13326	10.8
221.15373	80.0
223.14734	12.9
225.12820	6.9
225.16383	7.8
227.14279	5.1
229.12178	4.0
229.15862	3.9
231.11751	4.6
233.13272	6.2
233.15419	18.8
234.14067	2.8
234.16125	13.6
235.14830	7.3
235.16980	4.2
236.15520	3.1
237.12680	3.5
237.14668	29.1
237.16975	3.8
239.14331	4.4
243.14043	3.5
246.14053	4.5
247.16966	10.1
248.14191	9.9
249.16380	4.8
251.14102	3.2
253.15865	8.3
255.17416	23.2
259.14752	4.9
261.16412	8.0
263.14172	3.1
263.18344	3.2
268.18246	4.0
269.18958	3.2
270.19797	7.4
271.16992	8.4
273.18768	5.5
274.19302	10.7
275.14203	2.8
279.17535	5.1
281.19037	7.3
285.18643	5.5
286.19342	15.4
287.20148	10.3
293.19061	3.1
294.19748	7.0
295.20663	3.3
297.18597	4.8
298.19409	3.5
299.20267	15.6
300.20590	4.6
303.19577	51.1
307.20541	2.9
309.18689	4.7
311.20074	4.7
312.20828	5.5
313.21817	12.9
313.25009	2.6
322.22833	3.0
325.21600	13.5
337.21729	7.9
352.24014	100.0
365.24805	16.7
377.24799	7.4
383.26013	4.4
416.07614	2.9
487.31992	3.1
502.34204	10.7
503.35275	5.7
505.33206	4.7
507.34763	15.8
508.34991	8.6
520.35565	36.5
538.14227	3.1
582.40259	4.1
585.40100	4.0
600.41400	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	3.0
53.09962	2.8
55.05514	20.0
57.07080	17.4
65.03926	5.9
67.05511	29.3
69.03423	7.0
69.07070	26.5
71.04990	3.3
71.08624	7.7
71.57645	5.3
77.03941	3.0
79.05493	38.8
81.07056	44.1
82.07375	3.5
83.04953	15.8
83.08600	15.0
85.06578	6.1
85.10196	3.9
89.06030	11.1
91.04957	4.8
91.05480	51.9
93.07046	79.0
95.04965	12.1
95.08604	43.1
97.06524	9.6
97.10144	5.3
100.05530	3.0
105.04532	3.7
105.07037	79.8
107.05009	3.1
107.08602	73.4
109.06552	14.5
109.10151	32.3
111.08078	7.1
115.05419	5.9
117.07053	24.2
119.04984	3.5
119.08579	100.0
120.08878	4.5
121.06502	11.7
121.10148	69.8
123.08063	11.4
123.11694	13.3
125.09617	10.3
128.06192	10.8
129.06990	18.1
130.07767	6.6
131.08585	48.8
133.06459	4.7
133.08630	5.2
133.10132	55.1
135.08060	14.7
135.11685	26.9
137.09596	9.2
139.11188	8.9
141.06998	4.9
142.07793	19.0
143.08586	30.8
144.09338	13.1
145.06497	6.2
145.10126	77.3
147.08041	10.6
147.11679	22.2
149.09628	19.3
149.13274	5.0
151.11134	6.1
154.07793	5.8
155.08562	16.5
155.10710	5.2
156.09351	14.8
157.10139	52.2
158.10852	9.0
159.08070	13.1
159.11726	45.2
161.09637	9.3
161.13280	7.3
163.11179	9.8
165.06970	3.8
166.07741	3.7
167.08539	9.1
167.10689	52.1
168.09357	6.8
169.10114	27.2
170.10864	8.4
171.11681	31.7
173.09682	6.9
173.13290	25.1
175.11244	7.3
175.14839	26.4
177.12703	5.7
179.08572	14.2
180.09325	7.3
181.10106	16.9
181.12234	6.0
182.10892	7.3
183.11682	23.1
185.09677	5.4
185.13243	19.9
187.11191	4.8
187.14771	14.2
189.12752	4.8
191.14348	5.3
192.09250	6.4
193.10112	11.8
194.10747	7.0
195.11688	25.8
195.13548	4.9
196.12428	7.9
197.13249	22.7
199.11226	4.5
199.14836	13.2
201.12717	5.8
201.16386	9.9
202.80540	2.9
207.11700	8.8
208.12486	8.2
209.13304	24.7
210.13919	4.4
211.11195	6.2
211.14801	10.0
213.12689	4.5
213.16400	4.5
215.14320	3.7
217.15953	5.3
219.11734	4.2
219.13820	4.9
219.17369	4.7
221.13226	13.8
221.15385	7.8
223.14842	19.1
225.12793	3.3
225.16422	8.9
232.12251	6.0
233.13385	5.7
233.15390	11.3
234.13943	5.2
234.16043	7.1
235.14815	7.6
237.16339	4.6
247.14819	6.7
249.16344	9.2
251.17999	9.1
255.17432	9.0
261.16345	5.2
265.19455	8.4
271.20566	4.9
273.89389	3.3
275.17807	6.4
279.20956	3.8
283.20511	4.8
284.21014	3.5
285.22037	4.3
295.20190	3.4
333.21872	4.3
363.26825	14.4
441.07401	2.9
465.33813	5.6
539.38550	4.3
557.39563	14.0
582.39972	7.1
600.41577	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	600.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.4
55.05506	8.0
55.15764	2.1
55.97129	2.0
56.81352	2.0
57.07067	13.6
58.06588	2.0
59.05009	3.2
67.05508	16.3
69.03426	12.6
69.07063	9.5
70.07124	9.4
71.08648	2.6
79.05495	17.6
81.03398	2.4
81.07063	23.9
83.04981	7.9
83.08614	4.5
85.06559	5.3
89.06040	7.4
91.05480	32.9
93.07044	41.8
95.04974	13.2
95.08612	26.9
97.06535	5.2
98.20741	2.6
105.07037	50.7
107.04939	3.4
107.08585	24.9
109.06548	15.6
109.10153	9.2
111.08131	2.7
115.05466	3.4
117.07045	15.9
119.08589	66.8
120.09383	3.0
121.06523	7.4
121.10161	24.6
123.08060	19.2
125.06010	9.8
128.06235	6.1
129.07021	10.9
130.07784	7.3
131.08571	25.9
132.09337	3.9
133.06476	4.7
133.08607	6.2
133.10147	22.2
135.08076	16.6
135.11714	7.1
137.05989	3.7
137.09622	13.5
139.07532	2.6
140.14133	2.0
141.06993	5.3
142.07831	15.9
143.08583	30.0
144.09346	9.6
145.06546	2.1
145.10129	45.1
147.08055	30.2
147.11711	6.5
148.08890	2.7
149.09621	14.4
150.10419	2.7
151.07570	13.4
151.11177	2.5
155.08530	12.4
156.09412	10.1
157.10141	38.4
158.10881	6.3
159.08073	9.5
159.11696	26.7
160.08820	4.4
161.09647	13.4
161.13310	5.7
163.07602	2.1
163.11200	21.2
165.09123	52.3
166.07941	2.5
167.08575	5.8
168.09399	3.3
169.10121	18.9
170.10938	5.9
171.08107	2.7
171.11684	18.5
172.12514	3.1
173.09613	10.3
173.13283	9.0
175.11159	24.7
175.14780	3.1
177.09134	3.6
177.11217	3.0
178.09921	3.0
179.08603	5.9
180.11520	3.4
181.10184	8.3
181.12183	17.9
182.10912	5.6
183.11707	17.9
185.09610	5.9
185.13275	9.8
187.11203	7.6
187.14865	6.2
189.09077	2.5
189.12761	8.2
190.13548	10.8
191.10721	6.0
193.10245	5.1
193.12263	15.6
194.11003	2.8
195.11742	14.9
195.13762	2.8
196.12440	5.0
197.09543	2.6
197.13292	11.0
198.10349	2.4
199.11191	7.8
199.14828	4.5
201.12772	9.7
203.14330	21.7
205.12375	3.1
207.11653	6.8
207.13834	12.1
208.12698	4.3
208.14507	12.4
209.13309	11.3
209.15230	3.5
211.11166	2.6
211.14948	9.3
213.12788	8.0
213.16391	2.4
215.14282	3.0
216.15041	3.4
219.11847	4.5
219.13687	12.4
220.12523	3.4
221.13432	4.0
221.15376	100.0
223.14888	5.3
225.12689	5.6
225.16357	5.1
227.14355	3.4
228.21489	2.2
229.15903	4.7
233.13275	4.6
233.15378	4.2
234.16145	26.5
235.14897	4.4
235.17023	2.7
237.12848	4.2
237.16342	3.7
239.14294	3.1
241.15840	4.4
247.14571	2.4
247.16940	33.4
248.17604	2.6
253.15793	4.4
259.16922	6.9
265.15991	4.4
269.15344	3.1
269.19113	2.4
271.17105	3.7
273.18555	3.8
274.19257	16.6
279.17517	5.3
281.19186	3.2
285.18591	3.1
286.19363	5.8
287.20178	12.1
299.20132	19.3
300.20749	6.0
307.20673	2.6
311.19931	5.6
312.20938	7.8
313.21674	7.4
319.20572	3.7
325.21655	17.0
326.22308	3.1
327.23318	2.7
337.21609	6.6
340.23978	17.9
351.23248	2.6
352.23969	29.5
365.24750	6.1
366.25269	3.5
377.24911	2.8
379.26117	5.4
387.25369	4.6
391.26471	5.7
392.27194	4.5
413.27133	5.4
419.29703	10.8
420.30020	4.2
425.26865	8.9
426.27682	2.4
427.28314	15.9
440.29279	49.6
442.31216	4.0
449.65820	2.3
454.30859	3.7
460.31421	2.3
481.33145	2.4
494.33783	3.5
507.34537	3.0
508.35236	8.4
520.35461	31.2
521.36053	5.6
583.40900	2.8
585.39264	6.4
600.41943	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	600.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.3
54.50933	1.1
55.01870	1.9
55.05506	4.9
57.07086	10.5
59.05001	2.3
67.05502	10.5
67.81931	1.2
69.03429	8.4
69.07059	4.9
71.34698	1.2
79.05507	10.0
81.07062	17.8
83.04971	4.8
83.08607	2.7
85.06550	5.0
89.06034	1.7
91.04953	2.0
91.05482	22.1
93.07055	25.2
94.07852	1.4
94.65975	1.0
95.04994	9.3
95.08615	15.3
97.06506	3.2
103.05482	2.2
105.07039	36.2
106.07299	1.3
107.04989	1.8
107.08604	17.1
109.06536	10.8
109.10157	7.7
111.08083	1.2
115.05463	1.6
117.07024	10.4
119.08586	45.1
121.06538	5.9
121.10150	18.1
122.07371	1.9
123.08096	14.2
123.11710	1.4
125.06008	7.9
128.06215	3.2
129.06984	7.6
130.07819	2.3
131.08582	19.3
132.09346	2.5
133.06477	4.4
133.10136	18.5
134.10893	1.7
135.08058	16.5
135.11696	5.9
137.06029	2.1
137.09628	11.7
139.07584	2.7
141.07004	4.1
142.07771	9.9
143.08563	17.5
144.09323	4.4
145.06506	1.4
145.10133	32.1
147.08060	25.8
147.11700	6.2
148.08685	1.4
149.09628	10.0
151.07542	10.2
151.11198	1.7
153.06952	1.5
154.07742	1.5
155.08585	9.2
156.09319	5.4
157.10150	28.1
158.10852	3.5
159.08043	4.2
159.11714	19.0
160.08897	1.9
161.09665	10.3
161.13249	5.6
162.10432	1.5
163.11191	15.9
165.07007	3.0
165.09119	41.5
166.08008	1.2
166.09454	4.6
167.08542	2.9
168.09326	4.1
169.10149	11.8
170.10907	4.1
171.08133	3.1
171.11688	15.8
172.08885	1.3
172.12344	3.0
173.09637	8.1
173.13248	6.6
175.11205	14.9
175.14842	1.8
177.09120	3.4
177.12776	2.2
178.09735	2.5
179.08545	2.5
180.09224	1.4
180.11493	2.3
181.10191	6.0
181.12233	17.3
182.10896	4.0
183.11694	12.9
184.12367	2.3
185.09618	2.3
185.13272	9.6
187.11186	4.0
187.14793	3.9
188.11966	1.5
189.12746	6.9
190.13551	6.3
191.10803	5.7
191.14395	2.0
192.09355	2.3
193.10159	4.5
193.12247	9.8
194.10892	2.3
195.11725	9.3
196.12466	3.5
197.09604	1.5
197.13266	10.4
198.10422	1.6
198.13870	1.5
199.11200	6.2
199.14734	1.6
201.12776	6.0
203.14333	21.2
204.14673	2.5
207.11697	4.1
207.13820	9.4
208.12405	3.5
208.14595	8.2
209.13217	5.8
209.15237	1.5
210.14055	2.4
211.11247	3.0
211.14830	7.0
213.12764	5.3
215.10704	1.5
215.14258	2.1
217.12292	1.8
219.11906	1.6
219.13794	6.1
221.13388	5.3
221.15363	100.0
222.15738	10.5
223.11288	1.7
223.14827	3.1
225.12682	2.7
225.16409	2.3
227.14282	2.6
229.16034	1.8
231.13722	1.8
233.13310	2.2
233.15434	2.3
234.13971	1.7
234.16122	18.1
235.14822	4.5
235.16882	1.6
237.12779	4.8
237.16405	2.9
239.14445	2.5
239.17850	2.6
241.15901	3.4
243.13896	1.6
245.15411	1.9
247.14522	2.2
247.16971	30.7
248.17572	2.0
249.16388	2.4
251.14203	1.9
253.15898	2.1
255.17586	1.4
257.15427	1.5
259.16977	4.1
260.17896	1.8
261.18658	1.7
265.15961	1.9
267.17468	1.9
271.16946	4.0
273.18640	1.5
274.17142	1.3
274.19354	13.2
279.17578	1.4
281.19083	3.9
285.18634	2.5
286.19281	2.5
287.20096	9.1
288.20477	3.2
297.18475	2.6
298.19269	1.7
299.20093	13.6
300.20844	3.1
307.20578	2.1
309.18591	1.5
310.19366	2.1
311.20114	3.6
312.20874	7.4
313.21640	8.0
323.20132	1.3
325.21649	14.1
326.22110	1.8
327.23148	3.5
337.21786	3.0
338.22287	1.4
339.23178	5.6
340.24039	18.0
352.23972	22.3
353.24585	1.9
363.23502	1.4
365.24609	5.0
366.25385	3.2
377.24478	2.1
379.26239	5.2
387.25308	3.7
391.26233	3.6
392.26813	4.0
413.26889	5.0
419.29599	7.9
420.30045	3.7
425.26828	6.0
426.27576	4.6
427.28445	10.7
428.28857	2.0
429.27271	1.4
440.29282	44.0
442.30948	4.6
453.29980	1.7
494.33160	1.4
507.35052	1.3
508.35297	5.7
520.35522	24.6
521.36121	3.7
582.40326	1.8
585.39258	3.5
600.41589	33.8
601.23926	1.3
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
55.05504	4.4
57.07066	11.6
59.04967	3.2
67.05492	12.4
67.21814	2.9
69.03424	8.1
69.07054	5.8
70.70581	5.9
74.19265	2.7
74.58981	2.7
78.04736	3.0
79.05489	18.3
81.07064	15.1
83.04987	3.4
84.26567	2.6
85.06544	6.0
89.06033	3.1
90.78391	2.6
91.05479	25.1
93.07049	28.5
95.04975	10.7
95.08613	17.2
96.55499	3.5
97.06488	4.5
101.17212	2.5
103.05446	3.3
105.07040	40.6
107.08602	19.1
109.06509	11.0
109.10143	4.4
117.07011	12.0
119.08588	52.7
121.06532	6.7
121.10143	21.8
123.08076	15.0
125.05980	10.0
128.06248	3.7
129.07057	13.0
131.08578	19.5
133.06496	5.3
133.10159	13.9
135.08052	19.0
135.11740	5.5
137.09598	9.9
141.07007	5.3
142.07753	11.0
143.08582	20.1
144.09390	5.9
145.06577	3.7
145.10123	35.1
147.08063	25.8
147.11691	3.5
149.09639	11.7
151.07555	12.9
155.08560	9.8
156.09337	9.6
157.10146	34.3
158.10912	6.6
159.08070	6.6
159.11652	16.3
159.68031	2.8
161.09624	10.9
161.13222	5.8
163.11183	20.5
165.09125	41.7
167.08499	3.6
169.10086	13.2
170.10884	6.1
171.11713	17.8
172.12555	5.8
173.09618	8.7
173.13298	4.5
175.11189	21.0
179.08595	3.6
180.11449	4.2
181.10164	6.1
181.12230	18.0
182.10896	5.8
183.11688	15.2
185.13283	12.5
187.11186	5.4
189.12740	7.3
190.13481	8.5
191.10661	3.4
193.10287	4.6
193.12241	11.3
194.11043	5.0
195.11690	8.8
197.13281	9.9
199.11261	6.9
201.12798	5.6
203.14320	20.6
207.11963	5.3
207.13809	10.9
207.40288	3.3
208.14607	8.0
209.13309	9.5
209.15186	3.9
211.14861	7.4
212.15845	2.9
213.12692	4.2
215.14285	3.4
216.15143	2.9
219.11760	4.0
219.13863	9.7
221.13333	7.1
221.15373	100.0
222.15768	4.0
223.14781	5.8
225.12741	4.6
225.16365	5.0
231.13818	4.5
233.13274	3.5
234.16090	20.4
235.14790	4.7
237.12814	4.1
237.16473	4.2
241.76883	2.9
247.16971	37.4
249.16208	4.3
253.15770	3.4
259.17081	3.4
269.15497	3.6
269.19043	3.2
271.17001	3.6
274.19348	17.3
286.19147	5.0
287.20074	9.2
297.18619	3.9
299.20044	15.5
311.20020	4.5
312.20813	12.9
313.21692	6.3
313.27246	5.4
325.21609	14.5
327.23047	4.1
337.21515	7.0
339.23364	6.6
340.23999	18.8
352.23972	37.4
354.57339	2.7
365.24750	6.4
366.25491	4.9
379.26218	7.5
387.25284	6.5
391.26230	6.4
392.26941	4.0
402.36981	3.1
413.26999	6.2
419.29431	7.0
425.26761	11.4
427.28293	15.4
440.23404	5.5
440.29254	59.6
442.31168	5.0
508.35687	4.3
520.35486	31.8
585.38849	4.2
600.41687	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.41
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.0
55.01858	0.8
55.05519	3.9
56.07526	0.5
57.07077	6.6
59.05013	3.1
63.99025	0.5
65.03931	1.4
67.05507	7.5
69.03433	8.2
69.07066	3.9
77.03878	0.6
79.05502	8.7
81.03368	0.8
81.07060	13.7
83.04955	2.4
83.08591	1.3
85.06541	4.1
91.05483	14.5
93.07049	21.5
95.04975	5.3
95.08054	0.9
95.08611	12.1
97.06509	2.4
98.20712	1.2
99.08144	0.6
103.05428	1.0
105.04461	0.8
105.07040	21.4
107.04939	1.1
107.08598	11.5
109.05784	0.6
109.06515	7.2
109.10183	4.7
109.89319	0.6
111.08080	1.3
115.05492	0.8
117.07030	5.2
119.08586	26.9
121.06527	4.8
121.10156	14.2
122.07282	0.9
123.08077	12.3
123.11709	1.1
123.18675	0.7
125.05959	2.6
125.09608	0.8
128.06200	2.8
129.07010	5.1
130.07753	1.1
131.08580	11.5
133.06458	2.3
133.10129	12.8
135.08061	10.5
135.11665	3.6
137.05980	0.9
137.08658	0.9
137.09619	11.3
139.07506	2.1
141.06935	2.3
142.07787	7.2
143.08580	9.9
144.09326	1.5
145.06439	0.6
145.10130	14.7
146.07208	0.7
147.06934	1.2
147.08054	22.4
147.09215	1.2
147.11687	2.7
148.08725	0.8
149.09628	4.2
151.07547	9.0
151.11163	1.4
153.06946	1.5
153.09050	0.9
154.07741	1.1
155.08566	6.3
156.09351	5.1
157.10126	17.3
158.10921	1.3
159.08063	2.7
159.11707	8.6
161.09624	5.1
161.13280	5.6
162.48187	0.6
163.11203	7.9
165.06949	1.4
165.09119	48.1
165.28079	0.6
167.08517	1.8
168.09343	2.5
169.10138	7.6
170.10948	3.4
171.08073	1.4
171.11703	10.9
173.09630	3.5
173.13271	3.9
175.11223	2.7
175.14789	2.2
177.09117	1.6
177.12729	1.3
179.08531	2.0
179.14264	0.6
180.09381	0.8
181.10095	3.6
181.12253	7.1
182.10924	2.7
183.07962	0.7
183.11690	11.1
185.09618	1.6
185.13268	7.4
187.11211	3.0
187.14795	2.3
189.12733	4.1
191.10678	3.7
191.14348	1.5
192.09366	1.0
192.11385	0.7
193.10126	2.8
193.12157	0.7
194.10904	1.2
195.11691	4.6
195.13545	1.0
196.12465	1.3
197.09663	1.1
197.13275	4.5
198.10368	1.0
199.11180	3.0
199.14806	2.0
200.12051	0.7
201.12724	2.3
203.14320	18.1
206.10878	0.8
207.11688	2.6
207.13786	5.7
208.12456	0.7
209.13258	5.3
209.15211	1.0
210.13924	1.0
211.11240	1.0
211.14819	5.5
213.12720	1.5
215.14270	0.9
217.12312	0.7
219.11710	1.0
221.15369	100.0
223.11159	0.7
223.14793	1.9
225.12733	2.3
225.16374	1.8
227.14291	1.6
229.12241	1.5
229.15863	1.4
231.13797	2.1
232.12476	0.7
233.13231	1.3
233.15466	1.9
235.14796	1.5
237.12775	1.6
237.16301	1.0
239.14308	0.9
239.17982	1.4
241.15767	0.8
243.13803	0.8
247.14828	1.0
247.16962	16.5
249.12817	0.9
249.16313	0.8
251.14532	0.7
255.14088	0.7
255.17366	0.8
257.15335	1.1
259.17032	0.7
261.18661	0.9
263.17969	0.9
265.15765	1.2
269.18982	0.9
271.16913	0.9
281.19125	1.7
283.20746	0.6
285.18695	1.0
286.19370	1.7
287.20132	5.9
289.19565	0.7
291.17346	0.8
299.20111	5.5
301.21664	3.1
309.18619	1.3
311.20203	1.1
313.21622	2.2
325.21753	1.9
327.23285	2.1
365.24762	4.7
373.25467	0.9
391.26236	8.2
413.26965	1.7
419.29486	2.5
427.28464	6.7
441.30032	1.0
453.30029	1.8
507.34747	6.8
519.34540	3.5
543.34827	0.7
581.39716	2.6
591.93549	0.6
599.40985	56.8
600.40961	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.2
54.93371	0.1
55.01869	0.2
55.83623	0.1
57.03431	0.1
61.02931	0.2
63.02390	0.1
65.03934	1.0
65.24586	0.1
68.99797	0.4
69.03441	1.0
71.56989	0.2
72.43376	0.1
73.02916	0.2
81.03416	0.8
85.02913	2.1
86.56493	0.1
87.00846	0.9
91.05483	9.0
97.02909	0.7
99.04440	0.3
105.01857	0.5
105.07050	0.3
107.04969	0.5
109.02872	1.2
117.01938	0.2
117.06947	0.2
119.04948	21.9
120.05245	0.1
121.02911	0.2
121.06504	0.2
127.03910	1.8
129.01907	0.2
129.07074	0.2
130.06496	0.2
131.04951	0.4
133.06516	0.4
141.07010	0.3
145.04945	0.4
145.06505	0.4
146.06006	0.3
147.04414	100.0
148.04749	0.8
151.07565	0.2
153.06897	0.2
155.08568	0.2
156.84123	0.1
157.06511	0.8
159.02863	0.4
159.04372	0.2
159.08035	0.2
159.09190	0.6
161.05994	0.3
163.07446	0.1
165.06932	0.3
166.27632	0.2
169.06514	0.4
171.02861	0.2
171.08054	0.2
173.06010	0.2
181.06595	0.2
183.08011	0.4
185.05972	0.6
187.07590	0.9
188.07068	1.0
189.04022	0.3
194.31250	0.1
197.06000	0.3
199.07565	0.3
203.07021	0.4
205.09770	0.6
211.07458	0.8
213.03790	0.3
213.05537	0.4
215.06990	0.3
223.07634	0.1
227.07057	0.4
229.08653	0.7
231.06647	2.9
239.07632	0.2
247.00005	0.2
253.08507	0.2
255.06564	0.4
273.07544	0.8
284.46783	0.1
286.38983	0.1
291.08432	0.1
305.12860	0.3
333.09576	0.2
343.55325	0.2
344.17636	0.1
351.13452	1.5
377.08707	0.2
390.22037	0.2
395.09756	0.8
413.10590	0.5
419.47595	0.2
459.12704	0.2
484.37100	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85933	0.6
54.32547	0.6
60.04519	2.4
60.70945	0.7
69.07071	0.8
69.44504	4.8
70.02952	0.8
71.08672	0.5
71.58786	0.6
85.02879	1.0
86.09709	100.0
95.08611	0.8
98.09696	11.3
99.05583	3.8
115.05061	1.2
117.06625	2.1
126.09144	1.2
127.05027	8.7
127.12318	1.0
128.10696	0.9
129.06596	0.8
139.05009	3.1
143.11809	18.3
143.12929	1.0
144.07735	1.3
145.06110	4.9
154.15927	6.5
155.04529	0.7
155.11795	3.1
156.07721	4.4
157.06137	1.2
167.11842	2.4
171.11288	8.0
182.61209	0.7
183.11298	3.7
184.07202	7.8
185.12843	7.0
195.11282	5.9
196.07376	1.0
199.18077	2.1
201.09825	1.7
202.08282	2.5
210.12326	1.1
211.18066	21.1
212.13960	1.9
213.10324	0.9
213.12376	4.6
222.12401	1.5
224.14055	1.8
227.17529	1.1
228.13554	2.0
239.17570	8.3
240.13470	3.0
241.09375	2.3
252.13417	7.7
258.14551	2.9
259.10468	1.5
266.18640	0.9
269.16125	3.1
270.14493	7.5
279.14737	1.1
284.19730	2.4
287.17197	2.6
296.19803	2.0
297.15619	3.5
298.21487	0.8
308.17313	0.8
309.15790	1.3
312.25412	0.6
313.22415	1.2
315.16623	4.2
326.18317	2.4
327.16577	1.6
336.17020	0.7
337.22327	1.6
341.21860	2.6
344.19394	1.8
352.25983	2.5
353.22244	1.1
354.17743	2.7
355.23639	2.8
365.21698	1.3
372.18860	1.8
382.24606	0.9
383.22894	6.8
393.21576	0.8
398.24060	0.7
400.25620	1.6
409.28329	1.6
410.24188	3.9
422.24310	2.1
426.31012	1.7
428.25134	2.9
439.26715	1.5
440.25070	3.2
449.25232	2.4
454.30063	1.5
457.27689	7.0
467.26141	13.0
478.30255	1.3
485.27231	10.3
496.31244	4.2
525.33862	1.4
534.33783	0.9
535.32397	1.0
544.32898	1.1
550.33405	0.8
552.35107	3.8
553.33337	3.1
562.33435	6.5
562.66022	0.7
570.36053	14.1
580.34570	20.9
598.35571	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	597.4
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.1
55.01855	5.4
55.05521	30.9
57.03434	9.1
57.07074	8.8
67.05508	27.3
67.54797	2.6
68.94313	2.7
68.99780	13.7
69.07075	48.1
70.96461	3.7
70.96784	4.6
71.04997	4.3
71.08630	5.6
79.05511	23.0
81.07064	39.4
83.04987	8.1
83.08633	31.7
84.04526	3.9
85.06562	3.8
88.75011	2.6
91.05479	13.2
93.07050	29.7
95.04971	5.5
95.08625	31.0
97.06533	12.4
97.10181	19.9
102.73090	3.2
105.07049	12.8
107.04942	4.2
107.08607	25.5
109.10204	15.9
111.00826	41.2
111.04433	6.2
111.08071	10.6
113.91969	3.1
117.07021	6.5
119.04939	2.8
119.08576	10.4
121.06466	4.7
121.10156	24.5
123.08035	4.1
123.11662	3.2
125.05995	7.3
125.09631	6.5
127.03928	16.9
131.08563	8.3
133.10179	8.8
135.08060	8.7
135.11685	10.2
139.03917	38.3
139.07455	3.3
139.11218	4.4
139.52831	3.0
143.08582	3.8
145.10182	6.8
147.11694	4.8
149.09645	5.3
149.13237	9.7
157.10051	4.5
159.11708	4.4
163.07623	3.8
163.14830	5.5
167.07043	5.1
167.10739	4.8
169.10294	3.3
173.13196	3.2
175.14743	3.3
177.16425	3.8
181.08600	7.6
181.15828	3.0
191.14319	3.7
195.10201	6.3
209.11766	7.3
209.15376	6.0
223.13223	6.9
223.16975	8.4
227.16449	4.2
251.16463	37.5
255.19478	3.5
265.18015	33.2
273.20679	6.9
279.12842	4.6
279.15952	99.0
279.19415	12.2
283.22723	7.8
287.22165	13.4
293.17471	100.0
301.23819	21.8
307.15823	5.5
307.19067	62.1
353.19736	17.2
367.21127	10.0
376.06174	3.6
381.22681	7.3
505.35779	6.1
561.37195	4.1
579.39178	38.3
597.38715	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	597.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86983	0.5
55.05505	0.7
57.03439	2.6
57.99237	0.4
67.05489	1.0
69.76252	2.9
71.04994	16.6
75.04468	0.5
79.05501	0.5
81.03416	0.5
81.07038	1.3
83.04975	0.8
85.02909	16.3
91.05479	0.6
93.07030	1.1
95.04957	4.4
95.08613	2.8
96.08924	0.6
98.21453	0.6
107.08566	1.0
109.10205	0.6
111.00875	0.6
119.08611	0.5
121.02841	2.0
121.10136	2.1
122.09650	1.3
123.04436	24.6
127.03889	0.8
129.05519	3.7
131.08585	0.6
133.10112	0.8
135.08011	0.5
135.11707	1.1
137.09599	1.0
147.04419	1.3
151.11073	0.6
153.01814	1.5
155.10628	0.6
163.11188	0.9
165.01813	0.9
165.05487	9.2
173.11801	0.7
181.12206	1.6
201.11244	1.1
231.06552	0.7
241.05066	0.4
258.05099	0.9
287.05502	100.0
288.05789	1.8
311.05453	1.2
313.03732	0.7
313.06931	3.0
317.20969	1.0
318.21454	0.9
335.22272	2.4
336.22363	1.8
339.05075	4.3
357.06097	1.6
391.08029	2.5
433.11038	0.8
435.07111	0.7
451.10178	2.0
507.26312	0.6
532.20044	0.5
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
55.06001	0.4
57.03435	3.4
61.02913	1.8
66.75784	0.4
69.03435	3.7
70.91808	0.9
73.02923	9.1
81.03402	1.3
85.02907	6.7
95.04923	0.6
97.02899	4.6
109.02908	0.9
111.00823	0.5
115.03943	3.0
121.02895	0.8
127.03910	1.2
133.04985	1.4
137.02333	2.1
145.04990	1.8
153.01860	2.6
163.03903	0.6
163.06158	0.5
165.01875	1.2
183.02942	0.5
201.05467	1.5
219.02759	0.4
229.04927	3.2
247.06030	0.8
257.04504	1.8
274.04700	0.9
303.05008	100.0
304.05338	1.2
345.06119	0.6
465.10556	0.7
509.30878	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.1
55.01860	2.5
55.05515	8.4
56.05029	3.2
57.03427	2.4
62.21440	1.2
67.05489	4.9
68.05016	3.0
69.03416	2.5
69.07070	14.8
69.38653	9.6
70.06602	6.0
70.09461	1.1
70.58000	1.2
71.05008	1.6
71.08659	6.8
71.08979	1.5
72.08128	1.9
73.28426	1.2
79.05495	4.9
81.03396	2.1
81.07063	11.7
82.06572	2.5
83.07351	3.2
83.08619	2.8
84.08136	1.3
85.02910	2.4
86.06079	14.6
91.05473	5.0
93.07070	6.0
95.08634	5.8
96.08124	5.6
97.06538	2.6
97.10152	3.6
98.06066	2.9
98.09701	100.0
98.98452	2.3
99.08080	2.5
100.07647	1.6
105.07037	3.5
105.92216	1.2
106.07405	1.3
107.08586	4.4
109.02870	1.8
109.06547	2.6
109.10165	4.3
116.10743	56.0
117.06980	1.5
119.04946	4.0
119.08592	4.6
120.08144	1.5
121.10120	3.0
122.09650	4.4
123.11719	1.7
124.07573	7.1
124.40428	1.1
125.00019	22.4
127.03916	1.2
131.08571	3.2
133.10115	3.6
137.09720	1.2
138.09138	2.1
139.11127	1.5
142.08623	1.7
142.12254	1.9
147.04428	11.9
147.11667	5.4
148.04756	3.5
151.11192	1.9
152.10724	5.9
157.10146	2.9
173.11731	4.6
175.11147	3.7
178.15845	1.7
181.02608	1.5
193.12292	1.4
194.15404	11.7
196.07358	20.0
196.17006	13.7
212.14648	1.8
212.16486	24.1
214.18094	7.1
231.15984	1.3
235.90353	1.2
252.09973	10.1
270.11050	36.2
277.21536	2.2
285.16965	1.4
287.05573	7.1
287.18317	2.6
288.05920	6.1
290.20856	1.4
290.52048	1.3
292.13101	5.1
294.14819	1.6
295.22607	4.7
303.18051	1.7
308.22321	7.6
326.23160	9.4
344.24347	2.5
348.15604	4.6
350.17108	2.2
359.74866	1.4
366.16788	52.6
367.17917	1.6
368.13928	1.9
368.18375	26.7
406.19745	2.3
406.29172	2.3
424.30579	18.8
442.31439	3.9
462.22852	1.9
480.23569	19.1
498.24762	9.6
518.26563	1.4
560.30676	1.5
569.01044	1.2
578.30780	3.4
596.32422	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	596.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	2.6
57.03429	3.7
69.03429	5.3
69.30526	5.2
69.30937	16.6
81.03415	2.7
85.02909	16.7
87.93752	2.2
89.03930	14.7
91.05491	9.1
97.02909	7.4
101.00928	3.9
101.09681	2.5
109.02905	3.4
110.01457	3.5
113.00889	5.1
117.03370	11.0
119.01933	8.1
119.04937	14.7
122.01394	18.1
122.51489	6.1
127.03909	6.3
128.01405	8.0
131.01910	34.3
131.51944	4.7
135.04442	18.4
137.01901	21.6
137.52036	4.3
140.02444	3.4
143.01907	38.3
143.51993	6.5
144.01842	4.2
145.02853	10.2
145.05017	2.8
146.03409	2.3
147.04419	54.8
148.04710	5.2
149.01967	11.7
149.51962	4.1
151.37769	2.3
152.02434	16.5
152.52420	3.2
155.01962	4.2
158.02423	7.4
158.52478	2.6
161.02960	7.8
163.02538	5.2
163.03915	100.0
164.02411	5.1
164.04248	7.1
164.52536	2.4
167.02997	2.9
173.02998	36.8
173.53047	7.9
179.02931	5.7
182.03503	5.4
185.03036	6.2
190.03308	2.4
194.03473	3.5
196.99263	3.9
203.04021	45.3
203.54108	8.8
204.03835	3.0
211.99652	3.0
212.04579	9.7
213.01091	2.8
215.04149	3.6
219.01820	4.9
223.55234	3.0
224.04639	10.6
224.54601	3.5
224.87454	2.6
239.05144	2.9
243.01967	3.9
245.05075	13.0
254.05602	9.9
254.55814	4.4
275.06110	4.6
284.06665	38.7
284.56821	10.4
292.02649	3.1
293.07043	5.2
305.07239	3.8
329.79126	2.2
365.09357	17.3
365.59390	4.6
367.01624	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3197
Annotation	HAMI3379
Peak:m/z	Relative Intensity
53.03938	1.1
55.05512	5.4
56.05024	2.0
57.03438	1.5
57.07072	1.3
67.05530	4.9
69.03455	0.8
69.07072	5.3
70.06590	4.3
70.22954	0.9
70.23301	2.8
71.08636	5.7
72.08160	2.3
74.20662	0.8
79.05511	4.9
81.03383	0.8
81.07063	13.5
82.06572	2.2
83.04982	1.3
83.07379	4.7
83.08575	0.9
83.74533	0.7
84.08163	1.0
85.02905	0.8
85.06548	1.0
86.06073	9.3
91.05492	4.6
93.07053	2.5
95.04984	1.0
95.08617	2.5
96.08149	7.3
97.06548	1.3
98.06020	1.8
98.09700	100.0
98.21434	0.9
99.08114	5.8
105.07048	5.0
107.08591	3.1
109.06540	2.0
109.10152	2.0
110.09700	1.0
113.98988	0.8
115.81115	0.7
116.10739	52.4
117.09135	1.1
119.04957	1.1
119.08603	2.5
121.10108	2.1
122.09642	1.5
123.11703	3.1
124.07615	3.3
125.00013	3.4
126.09144	0.9
129.06943	0.9
133.10115	1.7
142.12270	5.9
143.10663	0.8
147.04417	1.8
147.11688	6.4
157.10141	1.8
165.12810	1.1
169.66039	0.9
173.11769	16.0
173.13171	1.5
175.11151	1.5
178.06325	1.3
178.15939	0.9
191.07590	0.8
196.07352	19.9
196.17010	11.0
210.18526	1.0
212.16489	1.0
214.18089	4.5
252.09943	8.6
264.23212	4.1
266.21158	8.7
270.11060	18.0
282.24246	1.7
287.05478	0.9
288.05841	1.4
290.21091	2.6
294.14798	1.3
303.18057	1.7
308.22168	3.8
326.23251	23.4
344.24329	15.1
350.17236	2.9
364.28476	3.4
368.13953	1.4
368.18381	22.4
424.21490	6.5
424.30563	27.8
436.24612	3.7
442.31583	2.0
462.22308	3.0
480.23575	12.0
498.24646	60.4
499.24792	1.0
578.30377	2.1
596.32367	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	595.166
Annotation	kaempferol-3-O-rutinoside
Peak:m/z	Relative Intensity
51.56508	0.2
54.93566	0.2
57.03441	2.4
68.99802	0.6
69.03437	0.2
70.62158	0.6
71.05000	17.4
73.02912	0.3
75.04473	0.8
82.87133	0.2
83.04984	0.5
85.02912	16.6
87.04456	0.7
105.03436	0.3
108.11351	0.2
111.00778	0.5
111.04467	0.3
121.02878	2.0
123.04372	0.3
127.03922	0.8
129.04605	0.3
129.05492	4.3
135.04391	0.3
137.02364	1.3
139.03909	0.7
145.06535	0.2
147.04398	0.8
147.06532	0.7
147.40984	0.2
151.03873	0.2
151.58247	0.2
153.01840	2.6
157.06593	0.3
163.03917	0.2
165.01836	1.6
171.04436	0.3
175.90001	0.2
183.02956	0.7
185.05960	0.4
213.05487	0.8
231.06624	0.6
240.64270	0.2
241.04999	0.7
247.05870	0.2
258.05292	0.9
259.06079	0.3
269.25082	0.2
271.06082	0.3
287.05518	100.0
288.05765	1.2
299.05487	0.3
329.06479	0.3
397.09247	0.3
405.68918	0.2
433.11209	0.6
449.10846	13.5
463.47635	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.6
57.03433	2.4
65.03947	1.3
67.05508	3.5
68.55996	1.1
68.95143	1.1
68.99753	1.1
69.03422	1.9
69.07081	2.8
71.05011	11.3
71.56889	1.3
79.05526	1.2
81.03442	1.1
81.07049	4.5
83.08606	1.4
85.02913	16.5
91.05483	4.6
93.07059	5.4
95.04973	3.6
95.08607	6.0
97.02901	2.3
100.11292	1.6
105.07040	4.9
107.08606	13.6
109.02862	2.9
109.06500	2.1
109.10182	9.2
111.00826	1.6
111.08075	5.3
119.04969	7.4
119.08642	6.3
121.02889	5.1
121.10153	5.7
122.09663	1.5
125.09661	5.0
131.08598	2.1
133.10172	2.7
135.11688	9.5
145.10118	5.9
147.04428	29.8
147.11711	13.2
148.04756	2.1
153.01857	3.4
153.12743	6.8
159.11702	1.3
161.14992	1.2
165.01820	1.6
181.12350	1.8
189.16429	9.1
191.18095	1.4
213.05426	1.9
214.84679	1.3
216.39613	1.3
217.15930	6.9
235.16975	15.9
243.11278	2.1
253.17963	17.5
259.05670	1.4
261.08823	1.4
287.05536	100.0
287.10309	2.9
288.05835	4.7
335.22009	1.5
397.22241	2.1
400.18439	1.5
595.45203	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.9
57.31883	0.2
59.04950	0.2
61.02927	1.4
62.28978	0.1
65.49788	0.1
68.99795	0.4
69.03420	0.5
69.69122	1.1
71.04997	10.4
73.02894	0.5
75.04463	0.3
81.03402	0.3
83.04975	0.5
85.02911	12.5
87.04459	0.2
91.03954	0.7
95.66998	0.2
97.02891	1.1
97.24702	0.2
99.04426	0.2
101.72141	0.2
107.04942	0.3
111.00783	0.6
111.04424	0.3
121.02869	2.2
127.03919	0.4
128.75426	0.2
129.04630	0.2
129.05502	3.2
129.06445	0.1
133.02850	0.5
137.02351	0.7
145.04999	0.2
147.04439	0.3
147.06505	0.9
153.01839	2.9
157.06453	0.5
165.01846	1.4
168.23590	0.2
171.04391	0.3
172.08206	0.2
183.02921	0.6
185.05977	0.5
213.05487	0.8
231.06583	0.5
241.04890	0.9
257.90555	0.2
258.05313	1.2
259.06107	0.4
269.04449	0.3
277.55927	0.2
287.05508	100.0
288.05890	1.4
300.94421	0.2
329.06647	0.4
353.06482	0.2
365.06204	0.2
449.10834	0.5
599.47589	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1657
Annotation	Datiscin
Peak:m/z	Relative Intensity
51.18838	0.3
53.00075	0.3
53.03936	0.5
55.01868	0.3
57.03440	2.1
61.02918	0.6
64.12835	0.3
69.03427	1.1
71.04998	10.9
71.13935	0.7
73.02905	0.7
75.04456	0.4
80.47580	0.3
81.03427	0.7
83.04982	0.4
85.02909	13.4
86.02357	0.3
87.46396	0.3
97.02915	1.6
99.04435	0.3
105.03393	0.4
109.02898	0.5
111.00803	0.9
121.02874	2.8
127.03926	0.6
129.05498	2.7
133.02885	0.6
137.02353	1.0
145.04945	0.7
147.04440	0.5
147.06514	0.6
147.73610	0.3
153.01851	4.3
157.06506	0.6
161.02089	0.3
165.01848	2.3
183.02878	0.7
185.06068	0.6
213.05490	1.7
231.06616	0.9
241.05003	0.9
258.05252	1.2
260.12390	0.3
287.05511	100.0
288.05795	1.4
495.30597	0.3
545.65619	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1658
Annotation	Kaempferol-3-Glucoside-3''-Rhamnoside
Peak:m/z	Relative Intensity
55.05499	2.9
57.03441	8.0
69.03426	9.3
69.92701	6.2
71.04997	51.5
73.02918	5.8
75.04469	2.0
83.04979	8.5
85.02911	63.2
85.03432	3.1
87.04478	2.4
98.20798	1.7
99.04461	5.3
111.04461	3.3
111.52182	1.5
117.05490	5.6
121.02887	2.2
127.03912	3.7
129.05473	16.0
137.02353	7.2
147.06572	2.9
153.01816	5.0
153.05537	1.3
161.99736	1.3
163.06071	6.8
165.01840	2.7
167.48669	1.7
201.05540	2.1
204.19881	1.3
205.15907	1.7
213.05664	1.9
229.05003	3.7
229.10742	1.5
230.13884	1.5
258.05170	1.8
264.79144	1.5
287.05518	100.0
303.05008	60.2
315.05081	11.9
327.04910	3.3
329.06442	2.2
341.06525	2.1
345.06067	20.5
367.08246	2.0
369.05991	7.5
395.07736	4.6
413.08652	13.3
431.09802	6.0
449.10818	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	595.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.1
55.01876	0.1
55.05512	0.2
55.96185	0.0
57.03438	1.7
59.04997	0.1
61.02927	1.7
61.03247	0.1
65.03947	0.1
67.01865	0.1
68.99788	0.5
69.00105	0.0
69.03428	0.4
71.01368	0.2
71.04993	10.5
71.56059	0.0
73.02913	0.7
74.09728	0.0
75.04477	0.5
79.05494	0.1
81.03420	0.2
83.04992	0.5
85.02905	12.9
86.03215	0.0
87.04475	0.3
91.03957	1.0
91.05483	0.1
95.04980	0.1
97.02891	1.0
99.04445	0.2
101.02364	0.1
101.06036	0.1
103.03935	0.1
103.05482	0.0
105.03374	0.3
107.04978	0.3
109.02866	0.4
111.00807	0.6
111.04433	0.4
113.79047	0.0
115.03917	0.1
115.05468	0.1
117.05493	0.0
119.04981	0.0
121.02865	2.5
127.03915	0.5
128.06264	0.1
129.05479	3.0
132.04382	0.0
133.02849	0.4
133.63837	0.0
135.04428	0.2
137.02336	0.8
139.03828	0.0
141.07042	0.1
145.04955	0.4
145.06558	0.2
147.04460	0.5
147.06511	0.8
151.03954	0.1
153.01828	3.6
157.06461	0.4
161.05957	0.2
163.06091	0.1
165.01834	1.6
169.05070	0.1
169.06432	0.1
171.03046	0.1
171.04422	0.2
173.05966	0.1
175.03960	0.1
175.07661	0.0
179.03462	0.0
183.02908	1.0
183.04509	0.1
185.05988	0.4
189.05553	0.2
194.02130	0.1
197.06050	0.1
199.03848	0.1
199.05954	0.0
201.05539	0.1
203.03413	0.1
203.07066	0.1
213.05466	1.2
217.04961	0.1
219.06439	0.0
223.75645	0.0
229.04964	0.1
231.06493	0.7
241.04924	0.8
242.05704	0.1
243.06564	0.1
245.04301	0.0
255.08795	0.1
258.02463	0.1
258.05243	1.1
259.06067	0.5
269.04349	0.2
270.05295	0.1
287.05490	100.0
288.05817	1.3
288.08987	0.0
299.05585	0.3
299.14447	0.0
300.06351	0.1
311.05453	0.1
325.06992	0.1
329.06458	0.3
341.06787	0.0
353.06381	0.3
365.06161	0.1
383.07816	0.1
395.07492	0.1
413.08569	0.1
431.09628	0.1
449.05179	0.1
449.10818	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.145
Annotation	Kaempferol 3-(2''-(Z)-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
53.03938	2.2
55.01863	1.4
57.03434	1.8
57.94399	0.7
60.09161	0.7
61.02929	1.2
62.88445	0.6
65.03926	0.8
65.78379	0.6
68.99811	1.4
69.03439	12.8
70.29121	1.2
70.29497	2.5
71.04984	2.3
73.02898	2.6
73.70007	0.6
79.05492	1.6
81.03423	7.8
85.02418	1.3
85.02908	17.4
85.06513	0.6
87.04474	0.8
91.05492	3.8
95.04953	2.1
97.02902	12.6
99.04467	1.6
107.04961	37.0
109.02869	5.5
111.00756	1.0
119.04930	3.8
121.02881	3.3
123.04463	1.4
127.03936	10.7
131.04929	3.2
131.96356	0.6
137.02312	1.3
139.03847	0.7
145.02837	0.9
145.04962	6.4
146.13286	0.6
147.04424	12.9
149.02350	0.8
153.01831	32.1
153.06995	0.8
157.06451	0.8
159.04445	1.2
165.01828	3.3
165.07018	0.9
167.08652	0.8
171.02939	0.7
171.04454	1.2
181.06479	0.8
183.02879	0.9
187.03902	2.9
195.08115	1.4
197.05916	0.8
201.05582	1.0
205.06570	0.8
207.07982	0.8
211.07542	1.1
212.08334	2.5
213.05438	2.2
213.09119	0.9
223.07561	6.3
229.04973	3.4
237.11433	0.7
239.07031	0.9
242.05608	1.0
243.06470	2.1
251.07005	1.4
253.05046	1.8
255.06567	0.9
257.04501	3.0
261.12372	2.0
262.12607	1.1
265.05017	0.7
265.08588	0.9
269.04477	3.6
270.05310	1.5
271.05878	4.4
279.06439	1.8
281.04373	3.8
283.05948	1.2
285.03848	3.6
287.05511	38.6
288.05890	2.9
297.04135	1.5
298.04630	0.9
299.05496	14.8
309.03885	1.1
311.05490	8.5
326.04129	5.0
327.05011	77.1
328.05307	0.8
345.05811	1.5
359.09192	0.7
369.07758	0.8
376.10068	0.7
387.08685	2.4
405.09708	100.0
406.09964	1.4
417.09885	0.9
433.09198	49.2
447.10559	1.3
451.10287	6.4
471.09244	9.9
549.12823	0.7
595.14331	2.5
595.28644	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1448
Annotation	Kaempferol-3-Glucoside-6''-p-coumaroyl
Peak:m/z	Relative Intensity
53.03931	0.7
57.71834	0.2
59.90683	0.2
65.03938	1.6
69.03425	1.3
70.89941	0.6
71.04988	0.5
79.05499	0.2
81.03429	3.1
85.02917	1.8
91.05492	11.6
97.02868	0.7
109.02885	1.3
111.00825	0.3
112.43806	0.3
119.04954	25.0
121.02863	0.7
122.09698	0.3
127.03941	0.7
147.04422	100.0
148.04755	0.9
153.01830	1.4
161.49496	0.3
165.01897	0.6
165.05527	2.3
183.03024	0.3
213.05580	0.6
231.06570	0.3
235.10692	0.4
235.16853	0.3
236.10904	0.3
241.04869	0.3
243.11296	0.7
253.17932	0.3
258.05267	0.3
261.08734	1.1
261.12039	0.3
287.05524	27.1
287.10419	0.8
288.05820	0.6
288.10587	0.5
291.08649	4.9
291.11676	0.5
309.09729	1.5
325.02258	0.2
395.52066	0.3
400.18454	0.9
426.20111	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1447
Annotation	CHEBI:75667
Peak:m/z	Relative Intensity
55.01872	1.6
63.70056	0.8
65.03944	1.3
68.99793	5.2
69.81595	5.1
74.74405	0.7
79.05523	0.9
79.66815	0.9
81.03414	2.9
95.04961	1.3
99.04467	1.0
103.05472	1.1
105.03421	0.9
105.08945	0.8
106.90609	0.9
107.04964	3.8
109.02912	2.7
111.00808	3.3
111.04433	1.9
117.03394	1.7
121.02900	1.9
123.04440	19.7
127.03926	100.0
128.04234	0.9
129.18756	0.8
131.04970	2.6
135.04425	33.7
137.02347	2.7
139.03909	84.0
141.06981	1.5
143.04958	1.1
145.06494	1.4
147.04445	1.7
149.02357	3.7
149.06009	1.8
151.03911	8.4
153.05492	0.8
157.06528	1.5
159.04420	4.6
161.05997	2.7
163.03914	43.3
165.05531	1.9
167.03436	7.8
169.05017	1.7
169.06348	0.9
173.06004	3.6
175.03889	2.7
177.05438	4.4
179.03323	4.5
181.04980	3.7
181.06458	1.9
183.04449	1.1
187.03888	6.8
189.05482	1.9
191.03406	11.9
193.04955	3.0
197.06027	3.0
201.05438	8.5
203.03438	6.8
203.07117	2.1
205.04919	5.3
215.03322	1.9
215.07028	2.6
217.04926	1.1
229.04971	8.9
233.04483	6.6
241.04993	1.4
243.06543	5.2
245.04442	7.7
247.06039	42.6
251.05510	1.7
255.06532	2.5
257.04477	7.8
258.05194	1.0
259.06042	7.9
266.46768	1.0
269.04526	1.8
271.06042	17.6
275.05515	13.8
276.05930	1.1
283.06009	12.1
287.05493	15.2
289.07095	13.9
299.05591	4.0
301.07086	14.6
307.08224	7.1
319.08099	1.2
407.07663	1.5
409.09149	13.8
425.08771	7.0
427.10315	6.7
443.09766	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	595.1448
Annotation	Kaempferol-3-Glucoside-6''-p-coumaroyl
Peak:m/z	Relative Intensity
50.64303	0.3
51.18050	0.3
52.85173	0.3
53.03954	0.4
54.20414	0.3
59.62205	0.3
65.03936	1.1
69.03424	1.1
70.12780	0.9
81.03426	3.2
85.02917	0.7
91.05493	11.0
98.18566	0.3
99.04428	0.4
109.02882	1.2
111.00757	0.3
119.04956	25.7
121.02884	0.7
127.03883	0.4
147.04425	100.0
148.04765	1.0
153.01848	1.3
165.01849	0.5
165.05496	2.8
183.02972	0.3
187.67609	0.3
267.47064	0.3
287.05533	20.3
291.08673	4.7
309.09674	1.6
329.06711	0.3
351.31161	0.3
453.19739	0.3
514.46027	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46497	0.3
63.69566	0.3
65.03938	2.3
68.99795	0.3
69.03430	1.0
69.42609	2.4
74.50272	0.3
79.28131	0.3
81.03416	1.9
82.90204	0.3
83.15537	0.3
83.41185	0.3
85.02906	0.4
86.72572	0.3
91.05484	14.1
93.58046	0.4
95.04930	0.3
98.21577	0.4
102.85529	0.3
107.04951	0.5
108.38013	0.4
109.02879	0.4
111.00788	0.4
115.98978	0.3
119.04951	31.8
121.02882	1.3
127.03931	0.7
137.02409	0.4
147.04417	100.0
148.04770	0.8
153.01840	2.2
157.06483	0.5
165.01816	0.9
165.05473	0.8
183.02850	0.4
200.69096	0.3
213.05486	0.8
231.06387	0.5
239.54279	0.3
241.04979	0.4
258.05295	0.6
265.40732	0.3
287.05511	54.9
288.05804	1.2
291.08661	1.7
309.09766	0.7
327.04636	0.4
405.09891	0.8
593.41821	0.4
596.68909	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	1.9
55.05515	10.0
57.03448	8.8
57.06820	3.0
57.07076	34.4
67.05173	2.6
67.05511	44.3
69.07072	14.7
69.34793	15.6
71.04983	2.2
71.08631	25.1
72.09296	1.6
77.69682	1.8
79.05499	27.0
81.07064	46.0
83.08611	13.1
85.06559	1.9
85.10198	11.0
85.70425	1.8
91.05472	10.5
93.07053	35.0
95.05011	1.8
95.08616	44.9
97.10164	4.8
97.33437	1.6
105.07040	9.6
106.08488	1.7
107.08595	17.5
109.10164	14.8
113.09636	1.8
117.07003	3.4
119.08569	5.3
121.10132	14.4
123.10875	1.7
123.11720	8.1
131.08588	10.5
133.10152	5.1
135.11728	10.0
137.13252	3.4
145.10133	8.2
147.11693	5.3
149.13289	8.6
159.11708	4.8
161.13283	4.3
163.14786	8.6
165.64537	1.8
173.13257	5.4
177.16403	6.4
214.57115	2.0
233.22682	4.3
239.23775	3.7
243.21104	19.4
261.22174	40.6
291.22971	1.8
313.27386	100.0
314.27689	2.0
317.24753	7.1
335.25839	43.8
499.45142	4.2
573.48828	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	593.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09081	0.3
70.01418	0.4
70.01719	1.5
103.35197	0.3
136.72942	0.3
344.14285	0.4
362.78339	0.3
388.17188	0.5
389.17828	1.2
401.17731	0.4
402.18552	1.1
403.19263	2.8
404.20074	1.3
405.20993	1.6
415.19217	0.4
416.20126	1.0
417.16312	0.7
417.21378	3.3
418.21960	1.7
419.22162	2.9
429.16559	0.5
430.17877	1.1
431.18130	7.0
431.23599	0.6
432.18564	1.8
433.24130	7.2
434.24670	0.9
445.19977	9.8
446.20862	4.3
447.21600	4.2
459.21478	3.7
460.22565	11.7
461.23230	10.4
461.29333	0.3
462.19098	0.4
473.23816	1.9
474.23749	0.6
476.25842	1.3
477.26877	0.5
487.25165	0.8
489.27029	0.5
491.24548	0.7
492.25186	0.8
505.21939	4.7
515.24713	0.5
518.22906	0.5
519.24139	0.9
533.25488	40.5
534.25885	1.8
547.27228	0.4
561.25293	0.6
564.23486	0.8
565.28101	0.8
575.26263	0.5
593.27588	100.0
594.27979	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	593.2757
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
52.48285	0.4
57.26867	0.4
59.92741	0.4
60.94088	0.4
71.07483	0.8
76.19330	0.4
80.44077	0.4
105.29592	0.4
124.10741	0.4
195.75140	0.5
199.45758	0.5
260.45850	0.5
279.56583	0.5
302.54050	0.5
389.17822	1.4
392.92001	0.4
401.17484	0.7
402.18588	1.8
403.19205	3.3
404.19937	1.3
405.20868	2.4
416.20203	1.3
417.16080	0.9
417.21341	4.0
418.21796	2.5
419.22537	4.9
420.22296	0.6
427.54303	0.5
430.17645	1.3
431.18106	8.5
431.23611	0.9
432.18811	3.0
433.24149	8.7
434.24762	1.8
438.65729	0.6
444.19254	0.7
445.19925	11.2
446.20874	5.6
447.21698	6.9
448.22058	0.6
449.23849	0.6
459.21454	5.3
460.22580	13.8
461.23291	11.6
473.23755	2.4
474.24463	0.9
476.25909	1.0
477.22522	0.9
487.25232	1.2
489.27341	0.5
491.24591	1.0
492.25317	1.8
504.21744	0.7
505.22177	6.6
518.23407	0.7
519.24091	0.9
533.25500	29.4
534.25800	1.5
575.26550	0.7
593.27606	100.0
594.27783	4.7
594.36420	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	1.5
53.03940	3.7
54.74865	1.4
55.05512	15.3
57.03446	10.3
57.07084	42.2
65.03954	1.4
67.05514	52.7
69.07079	16.4
71.05003	1.5
71.05650	3.3
71.08278	2.3
71.08640	26.5
74.09673	1.1
78.47768	1.3
79.05501	26.3
81.07065	60.1
83.08625	11.7
85.06534	1.8
85.10192	17.4
89.06043	2.3
91.05492	14.5
93.07056	36.4
94.50450	1.2
95.04963	1.8
95.08616	50.5
97.10167	7.5
97.62276	1.3
102.74097	1.4
105.07040	12.8
107.08611	24.3
109.10169	23.3
111.11739	1.8
117.07024	5.6
119.08582	11.8
121.10164	17.7
123.11710	13.6
131.08571	12.3
133.10162	10.9
135.11722	11.7
137.13255	3.7
145.10167	8.4
147.11754	7.7
149.13261	10.8
151.14835	1.4
158.47957	1.4
159.11714	8.1
161.13280	5.9
163.14850	6.7
173.13318	8.5
175.14859	2.7
177.16399	2.5
177.19049	1.5
187.14844	3.4
239.23741	4.4
243.21173	8.7
257.24747	3.2
261.22153	50.4
262.22345	2.3
279.23105	2.4
313.27393	100.0
314.27591	2.3
317.24799	10.7
335.25812	59.2
335.29919	2.8
338.24139	1.4
499.45227	3.5
573.48859	20.1
591.49811	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	591.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	3.4
69.03433	1.0
70.96707	1.7
70.97048	1.2
74.16585	1.0
79.05536	1.4
81.03402	1.1
81.07059	2.3
84.74380	0.8
84.89790	0.9
85.02925	2.4
89.05315	0.9
91.05450	2.5
93.07058	1.9
95.05020	1.3
96.08147	1.6
105.07034	1.2
106.06574	1.2
107.07362	7.8
119.05005	1.7
122.06069	2.7
122.09677	63.0
123.10032	1.3
124.11231	5.1
133.10129	1.7
135.11771	1.4
136.07613	3.8
137.06033	1.0
143.75998	1.1
147.04399	1.1
164.07097	10.2
178.08650	2.8
203.08212	2.0
206.08139	4.8
235.10796	2.3
245.09464	1.9
261.12292	2.4
263.10400	6.4
277.12173	4.4
291.13724	5.6
292.14514	5.1
293.56268	0.9
302.12994	1.7
303.13779	2.3
304.14679	1.0
305.11478	3.1
306.16000	3.0
307.13266	2.5
310.15637	1.9
318.16101	2.2
319.16821	4.6
322.11987	3.6
324.17200	1.4
332.13821	2.1
334.19138	2.4
336.13452	40.8
336.16864	1.5
347.16559	1.9
348.13577	5.8
349.14291	1.8
350.15030	14.8
351.15884	4.4
352.20309	1.8
361.14429	1.2
362.11273	2.5
362.15079	7.8
362.18573	1.8
363.15674	1.4
364.16605	1.8
376.12775	2.0
377.13647	6.5
377.17880	1.5
378.18149	34.9
380.19699	11.6
390.18256	2.2
391.15454	2.1
392.19800	10.0
406.17618	87.4
408.19226	3.2
410.21127	5.2
411.18488	1.1
428.21719	7.2
436.18680	53.6
437.19250	1.4
454.19815	10.6
468.17737	1.6
470.19333	1.5
525.25464	1.8
543.25977	9.7
573.27118	70.7
574.27008	1.3
591.28125	100.0
592.28668	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	591.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25862	0.1
53.03941	0.2
57.22968	0.1
59.21990	0.1
65.03931	0.2
67.05494	0.3
69.35905	0.5
69.36336	0.8
73.48795	0.1
77.79995	0.2
79.05502	0.6
80.05036	0.4
81.05792	0.4
81.07059	0.6
91.05484	0.6
93.05799	0.2
93.07063	0.4
94.06577	1.7
95.04993	0.3
95.08617	0.4
96.08139	0.3
105.07044	0.7
106.06561	2.3
107.07345	13.3
108.08177	0.3
119.04918	0.2
120.08162	0.4
121.08945	0.2
122.06121	1.5
122.09677	100.0
123.10029	0.5
124.11272	0.8
131.08577	0.4
133.08961	0.3
134.09679	0.2
136.07617	1.0
138.09175	0.3
140.07079	0.4
146.09764	0.2
147.06827	0.2
148.07590	0.4
148.11230	2.3
159.08055	0.2
164.07089	3.5
174.09175	0.3
176.07173	0.2
176.10721	4.2
177.06602	0.7
181.09735	2.5
188.07129	0.6
191.08148	1.7
194.22021	0.2
201.06630	0.4
202.07347	0.7
202.08957	1.1
203.04736	0.2
203.08185	0.8
204.06619	0.2
205.09753	0.2
217.09749	1.2
218.08160	0.2
219.11273	0.2
220.09741	0.2
227.08156	0.2
230.08034	0.9
231.07732	0.3
231.11430	0.3
233.09146	0.3
235.10770	0.3
243.11250	0.2
244.09860	0.3
245.09293	0.8
248.09218	0.4
257.09186	0.5
258.11343	0.3
259.08423	0.2
259.10925	0.5
261.08728	13.2
263.10242	0.6
269.09045	0.2
271.10840	0.3
272.09259	0.7
279.13504	0.2
285.08755	0.4
287.10294	1.7
288.08820	0.3
289.11856	0.2
290.10309	0.3
301.11804	0.4
305.07986	0.2
305.11420	0.6
307.12903	1.3
313.08176	0.7
315.10016	0.3
326.15082	0.2
333.10864	0.4
340.12997	0.2
347.17725	0.3
361.14319	0.2
380.15851	0.2
390.18195	0.8
398.17105	3.5
409.17725	0.4
410.20737	0.6
418.17468	0.2
424.18790	0.4
428.21976	0.9
436.18686	5.9
452.18384	0.5
454.19629	0.8
470.19284	4.4
527.26166	0.2
573.27191	4.9
591.28113	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	591.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.3
53.21314	0.1
54.27753	0.1
67.05511	0.2
69.91616	0.3
69.92011	0.4
79.05479	0.5
80.05030	0.4
81.05813	0.3
81.07062	0.4
81.68397	0.2
91.05461	0.3
93.05786	0.2
93.07043	0.4
94.06564	1.2
95.08617	0.3
96.04526	0.2
96.08065	0.2
98.06060	0.2
100.21851	0.2
103.05480	0.3
105.07040	0.8
106.06565	2.7
107.07346	13.9
108.08099	0.3
119.04964	0.3
120.08118	0.2
121.06527	0.2
121.08917	0.1
122.06151	1.1
122.09677	100.0
123.10022	0.6
124.11230	1.2
136.07581	1.2
138.09119	0.4
140.07057	0.4
147.04465	0.2
148.11169	0.2
160.07678	0.2
164.07071	3.4
165.78284	0.1
176.10693	0.9
177.06607	0.7
181.09746	2.0
188.07129	0.5
191.08185	1.6
202.08685	1.2
203.08192	0.6
204.06606	0.2
206.08180	0.3
215.11880	0.1
217.09764	0.6
219.11328	0.2
220.09761	0.2
230.08220	0.9
235.10747	1.3
244.09790	0.2
245.09200	0.7
248.09264	0.6
253.11879	0.3
259.10843	0.4
261.08792	0.6
261.12277	0.3
263.10388	0.9
271.05011	0.2
272.09195	0.8
287.10272	0.6
289.12024	0.4
290.10281	0.2
305.11444	0.9
307.12857	1.5
333.10846	0.4
340.13123	0.2
380.19891	0.2
398.17053	0.4
406.17572	0.7
410.20850	1.1
424.18680	0.3
426.20029	0.2
428.21701	1.3
436.18594	0.5
452.18250	0.6
454.19458	1.0
470.19318	3.5
573.27179	0.9
591.28033	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	589.4829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.0
55.01873	1.7
55.05263	1.2
55.05515	13.1
57.03220	1.0
57.03444	10.5
57.07080	39.8
58.57310	0.9
65.03920	1.0
67.05507	31.5
69.07072	14.5
70.63499	2.1
71.04994	1.7
71.08636	29.7
71.75756	0.9
79.05499	24.2
81.03445	1.4
81.06579	2.1
81.07063	38.9
83.04961	1.3
83.08630	13.3
85.06561	2.1
85.10193	11.9
89.06048	2.6
91.05489	29.9
93.07048	28.6
95.04977	4.4
95.08614	39.2
97.06558	1.7
97.10172	7.8
98.21426	1.2
99.08077	1.6
99.11743	1.0
103.05483	1.2
105.04513	1.1
105.07035	35.7
107.08611	17.2
109.10163	14.8
111.08071	1.1
111.11714	1.1
115.05441	1.1
117.07008	8.1
119.08590	35.0
121.10159	11.7
123.11715	5.5
129.06996	4.1
131.08583	14.6
133.10133	22.5
135.11696	12.9
137.13261	2.0
142.07820	1.1
143.08563	5.6
145.10127	13.3
147.08087	1.1
147.11702	25.3
148.12129	1.3
149.09628	1.7
149.13261	7.4
151.14824	1.1
155.08640	1.4
157.10152	5.9
159.11708	12.7
161.09651	1.5
161.13257	22.5
163.11214	1.3
163.14857	2.2
165.06577	1.0
169.10216	1.1
171.11725	8.5
173.13309	8.3
175.11197	1.6
175.14812	13.4
177.12817	1.8
185.13188	6.9
187.14844	3.2
189.12753	1.5
189.16368	1.3
197.89543	1.0
199.14725	6.3
213.16429	1.4
215.18059	1.4
217.19489	1.3
228.49207	1.0
231.21094	5.7
236.78168	1.0
239.23650	5.2
241.19531	27.8
257.24838	1.6
259.20587	62.2
277.21680	2.8
313.27374	100.0
314.27838	2.5
315.23245	4.2
333.24255	36.1
351.25250	1.6
571.47296	6.2
589.39825	1.1
589.48383	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78696	2.3
53.03947	7.3
55.01869	9.3
55.05514	37.2
57.03439	8.8
59.05002	3.1
65.03943	6.1
65.17834	2.3
67.05509	58.9
69.03429	9.5
69.07072	27.4
70.77140	5.6
71.04995	2.9
79.05499	69.7
79.82850	1.9
81.03421	11.7
81.07062	60.3
83.04984	14.7
83.08623	13.7
85.06550	3.1
91.05486	58.1
93.07054	67.0
93.92645	2.3
95.04977	29.9
95.08614	33.1
97.02905	4.7
97.06548	4.7
97.10188	14.8
103.05467	3.3
105.07037	35.6
107.04982	12.6
107.08600	28.6
109.06530	9.4
109.10158	10.6
115.05500	2.4
117.07021	14.3
119.08594	30.2
121.06523	5.4
121.10179	9.6
123.08074	20.9
125.09647	13.1
128.06117	3.0
129.07013	18.0
131.08557	11.0
133.06468	4.6
133.10144	12.1
134.07285	2.6
135.08054	5.5
135.11667	5.3
137.09625	3.8
141.07005	3.4
143.08598	10.4
145.10133	16.7
147.08052	9.0
147.11711	26.4
147.21138	2.5
153.09146	2.2
157.10094	3.0
159.08008	2.7
159.11716	4.5
161.09642	7.4
161.13269	7.5
163.11229	4.1
165.09171	3.4
169.10097	3.8
171.11726	21.0
187.13359	3.2
189.11220	9.5
189.12825	7.3
193.12300	4.0
207.13824	18.2
223.13249	14.3
227.12744	12.3
231.17140	2.6
245.19043	3.5
249.14784	3.8
267.76797	2.5
273.18521	24.3
281.17520	38.5
291.19571	100.0
327.23212	3.0
347.22104	3.7
365.23294	26.0
437.88080	2.8
473.28528	4.2
571.36353	73.0
572.37146	2.8
589.37775	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90277	3.6
53.03939	6.5
55.01866	4.8
55.05513	12.7
57.03433	13.6
57.07081	38.6
61.38897	4.2
67.05508	33.4
69.07075	15.9
69.24394	43.1
71.08642	25.7
79.05486	24.8
81.03415	17.4
81.07056	39.9
83.04989	8.5
83.08613	11.1
83.78436	3.7
85.10197	10.9
91.05505	24.6
93.07042	28.1
95.04953	12.3
95.08627	26.3
96.86854	4.4
97.02908	5.4
97.06532	8.8
97.10159	5.9
105.07026	11.4
107.04961	9.9
107.08599	10.0
109.06519	10.5
109.10167	16.1
111.04456	20.4
117.07006	9.7
119.08587	9.8
121.10156	11.3
123.08090	4.1
123.11747	5.6
125.05939	4.9
131.08589	10.0
133.10133	6.9
135.11674	9.0
145.10103	14.5
163.11243	21.9
181.11964	4.9
189.77223	5.0
191.10681	10.6
209.11731	12.7
222.21619	4.1
223.13298	20.6
227.12729	4.9
239.23656	5.2
241.14362	28.0
259.20526	7.7
265.14331	5.6
276.20462	4.3
283.15408	18.6
313.27405	100.0
315.18033	40.1
333.24146	6.3
503.36588	4.9
512.95691	4.3
521.38385	51.3
553.40942	32.8
588.47156	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	588.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.7
55.05509	54.8
62.96735	4.9
67.05499	10.7
69.07066	21.3
71.81700	5.0
79.05492	8.3
81.07073	29.2
83.08598	8.4
91.05502	10.4
93.07035	20.0
95.08633	25.9
97.06522	7.1
97.10182	100.0
105.07026	24.9
107.08594	18.0
109.06529	10.4
109.10158	15.6
117.06974	7.1
119.08557	22.4
121.06503	7.3
121.10146	56.2
123.08041	12.4
123.11658	6.1
125.05987	62.3
125.09612	20.0
131.08585	12.9
133.10136	8.4
143.10687	24.2
145.10098	15.5
147.08043	15.4
147.11652	7.1
149.06024	9.3
149.09682	8.2
151.07503	6.3
153.05486	16.4
153.09055	7.1
157.10194	12.5
159.11696	12.0
165.09074	10.2
167.07126	7.1
171.11624	9.2
173.09618	17.1
173.13278	9.3
175.07558	14.7
177.09103	26.7
183.11722	8.7
185.13298	8.0
187.14804	15.1
189.11288	6.4
189.12796	9.0
190.09909	9.7
203.14317	6.6
215.14291	39.9
217.15919	11.5
229.12231	6.7
229.15912	13.9
230.12987	7.6
231.13812	63.3
233.15363	40.7
245.15363	9.0
247.13390	8.1
247.16942	10.8
248.14178	5.7
249.14865	21.6
253.13312	6.7
254.13959	11.8
255.13786	7.8
257.15433	21.6
259.16910	7.3
261.14838	15.1
273.14877	18.8
275.16464	59.4
277.17935	17.3
277.63300	5.8
291.15796	22.2
293.17520	77.3
295.18979	30.2
301.14331	10.6
303.15924	33.8
305.17368	27.2
309.16940	10.9
319.15585	30.0
321.16977	21.8
323.18387	9.4
337.16400	82.4
339.18073	65.4
355.17563	63.2
367.17395	9.0
385.18414	13.0
387.51703	6.0
401.17844	6.5
403.17471	6.7
445.25958	7.6
461.39325	5.8
481.28204	10.4
491.26212	8.2
507.25888	9.5
535.25604	8.0
588.24762	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	587.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11301	1.4
53.03955	3.2
55.01871	2.3
55.05513	26.6
57.03440	8.4
57.07074	10.0
65.03950	3.0
66.97013	1.9
67.05507	62.3
69.07070	24.1
70.05269	5.1
71.08635	4.6
72.37348	1.5
79.05058	2.4
79.05493	34.1
81.07060	64.2
83.04979	1.7
83.08627	12.8
85.06538	4.3
85.10190	2.0
91.04957	2.5
91.05482	24.5
93.07050	47.2
95.04955	4.7
95.08608	54.6
95.55428	1.4
97.06535	3.6
97.10188	7.6
98.21439	3.2
99.08080	3.0
100.92216	1.7
105.07029	27.8
107.08600	25.5
109.06503	2.3
109.10162	20.2
111.08044	2.0
117.07019	7.7
119.08586	29.6
121.10159	25.3
123.08059	2.9
123.11728	11.1
125.09647	2.5
129.07024	5.3
131.08545	18.6
133.10144	20.7
135.11681	19.0
137.13289	6.0
140.57411	1.6
143.08566	6.0
145.10107	16.4
147.11646	14.6
149.09665	2.4
149.13266	9.5
157.10164	4.9
159.11676	11.0
161.13290	10.3
163.14833	4.9
169.10117	1.5
171.11696	4.9
173.13287	6.5
175.14821	6.0
177.16455	3.1
179.14188	1.9
183.11697	2.3
185.13286	5.7
187.14828	5.3
189.16360	4.2
191.17969	1.8
199.03059	1.4
199.14807	2.7
201.16403	4.6
203.17926	2.2
205.19572	3.3
209.01060	1.5
213.16455	2.9
215.17920	3.2
217.15907	1.9
217.19528	3.6
229.19537	3.2
233.19028	3.5
241.19664	2.9
259.20615	4.4
261.22134	9.8
273.22156	1.9
275.20139	2.6
277.21417	1.8
279.23343	1.6
309.24240	11.8
311.26007	4.8
317.24768	1.9
333.24347	4.2
335.25912	5.5
337.27420	4.5
475.38428	2.7
495.41953	7.5
510.81296	1.8
513.43079	1.7
569.45514	15.9
587.46704	100.0
588.46802	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	587.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	13.4
55.01873	18.9
55.05514	63.1
57.03440	15.5
57.07074	19.5
59.05004	6.7
65.03941	7.7
67.05179	7.4
67.05512	100.0
69.07062	20.4
69.34052	60.2
74.97240	6.4
79.05502	89.2
81.03429	18.7
81.07060	87.6
83.04974	19.8
83.08626	25.2
85.02917	7.5
85.06560	8.3
89.76298	7.7
91.05489	97.2
92.22666	5.9
93.07059	87.5
95.04967	27.1
95.08613	56.1
97.00835	6.5
97.06536	15.7
97.10173	31.0
105.07044	70.8
107.04903	6.7
107.08611	56.8
109.06516	10.8
109.10157	32.3
111.04430	13.3
111.08077	11.4
115.05480	8.4
117.07015	50.7
119.08594	77.6
121.06578	13.8
121.10183	48.3
123.08053	16.8
125.09636	34.0
129.07027	43.6
131.08598	46.3
133.10150	60.3
135.08057	12.2
135.11703	21.4
141.06931	12.6
143.08569	42.9
145.10149	67.1
147.08099	7.2
147.11723	17.8
149.09645	9.4
153.12755	10.3
155.08554	16.2
157.10152	28.4
159.11748	22.8
161.09631	7.5
161.13274	18.8
163.11195	20.4
169.10133	17.8
171.11694	36.3
173.13261	12.6
175.11121	13.1
175.14836	15.8
177.16260	7.8
181.10107	12.6
181.12183	5.9
183.11705	13.1
185.13226	30.1
187.14848	21.5
189.11217	15.1
189.16435	24.8
193.12262	7.8
195.11685	8.0
197.13191	6.5
199.14900	16.3
201.12741	7.3
201.16406	13.7
203.14427	9.8
203.17969	43.2
209.11658	8.2
215.17923	10.8
223.15071	6.8
227.12822	23.1
228.19971	7.0
243.20987	12.7
259.24228	13.5
269.22653	50.7
283.15503	71.0
285.22107	15.6
287.23703	97.0
325.25403	10.4
361.27429	8.8
459.32458	10.1
477.33508	20.3
495.34619	12.8
513.35742	11.5
551.37201	25.8
569.38550	76.4
587.39313	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	587.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79696	0.7
59.84522	0.7
67.05510	0.9
69.03429	1.0
69.07079	0.8
69.78527	2.0
69.78939	2.0
79.05503	1.0
80.04996	1.0
81.03445	0.7
81.07052	2.3
91.05502	0.9
91.58395	0.6
93.07036	1.3
94.06567	1.9
95.04984	0.9
95.08619	1.8
95.78924	0.7
96.04482	1.3
98.21386	1.3
101.26301	0.6
105.07043	1.3
106.06582	1.9
107.07347	12.0
107.08582	1.8
120.08121	3.6
122.09680	100.0
123.31933	0.8
124.11176	0.8
134.09659	1.8
136.03981	1.5
136.07596	2.0
136.11221	1.2
146.09622	0.6
148.11250	2.4
150.09164	3.5
160.07523	1.1
162.09175	1.4
163.04018	1.0
164.07153	1.1
166.08585	1.6
174.09183	1.4
176.10725	6.0
178.08575	0.7
180.10237	1.4
184.93202	0.7
198.11128	0.9
199.08745	1.5
199.12355	0.7
206.08130	1.3
211.12405	2.2
213.10347	0.8
215.11853	2.4
220.09697	1.6
227.11877	1.0
241.09778	1.4
243.11324	2.5
251.11824	1.0
255.11360	2.3
259.10956	1.8
261.12314	4.4
269.12857	3.2
273.12381	1.4
287.13943	5.5
295.10855	0.9
297.12415	3.3
303.23428	0.8
313.12039	4.1
315.13437	19.9
376.20294	1.5
390.22134	0.8
418.21292	1.7
420.22867	1.5
436.22397	29.8
438.20255	3.6
443.56052	0.8
464.21866	26.0
559.29211	21.6
587.25940	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34102	11.9
57.40606	11.9
69.03423	26.8
70.06564	17.8
71.55553	23.5
75.21751	11.6
81.03433	32.3
84.04537	11.9
85.02905	67.0
87.00829	23.9
97.02359	12.8
97.02913	57.0
99.04482	13.3
100.77682	12.7
104.82995	12.9
105.01876	31.2
107.12757	12.9
109.02873	28.2
123.04495	16.4
124.97955	13.8
127.03924	49.7
128.49539	16.9
141.10744	15.5
145.04979	18.7
145.82751	13.6
147.04465	20.4
163.03944	20.5
203.03404	100.0
231.02855	14.8
279.04901	17.7
291.05200	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77974	0.8
56.96570	6.3
69.03436	2.0
70.98129	1.1
71.55346	1.1
79.80443	0.8
82.99863	1.2
84.96018	1.2
85.02897	2.9
88.42110	0.9
88.42672	0.8
89.03918	1.6
91.05489	3.8
94.99829	1.2
97.02898	3.8
98.97593	17.5
98.98196	1.4
101.00884	10.2
105.00410	1.1
109.02872	1.6
110.97559	4.3
113.00883	1.6
116.98627	6.4
117.03388	1.6
119.01936	23.8
119.04952	11.4
123.01460	0.8
127.02419	2.7
127.03923	1.7
128.20647	0.8
128.98618	6.8
129.03970	1.7
131.00192	0.9
131.01903	10.3
133.03496	3.3
134.99667	2.0
135.04448	2.8
137.02959	2.8
139.02431	1.8
140.98627	2.1
143.00186	2.8
143.01900	17.5
145.03528	12.5
146.99673	3.9
147.01373	2.1
147.04414	100.0
148.04720	2.3
149.02986	1.8
152.98593	1.1
155.01910	16.8
157.03506	7.4
157.78416	0.8
158.99626	6.3
159.05070	1.2
161.01283	2.3
161.02979	22.8
162.02869	0.8
163.00945	2.5
163.03882	14.4
164.04236	1.5
167.01936	7.8
169.03461	3.3
170.99684	5.2
171.01219	1.1
171.05057	3.4
172.97635	1.3
173.02982	20.9
174.02927	1.3
174.99123	1.0
175.04521	2.6
177.00728	5.3
177.02293	1.3
179.01938	4.6
181.03439	2.0
182.99689	3.3
185.02975	47.5
186.99203	1.1
187.04536	5.4
189.00723	7.0
191.04039	1.0
196.04449	1.1
197.02969	16.2
197.06615	1.1
199.04478	1.4
201.00714	15.1
203.04022	10.7
203.05780	1.4
205.00363	1.1
205.03488	5.9
208.04610	0.9
209.02971	1.3
213.00784	1.3
215.04002	8.9
219.01797	10.8
219.05151	2.2
219.07091	1.2
221.02988	1.7
221.05206	2.8
223.04543	12.7
227.04044	8.8
229.03560	5.3
231.01758	1.4
231.07253	1.0
232.99847	1.0
237.02870	4.1
237.06145	4.2
239.03854	1.0
241.03394	1.6
241.05586	15.0
243.01807	6.7
243.04968	1.2
245.05095	95.3
246.05363	2.0
247.01787	1.1
247.04532	23.8
248.05011	1.1
248.99197	1.5
255.07323	1.8
257.05032	5.7
259.04559	3.4
261.02853	21.6
261.06055	6.5
263.03955	7.5
263.06223	9.4
265.05603	60.2
266.05807	2.2
273.02704	1.8
275.06067	8.8
277.05637	2.2
279.03925	7.7
279.07190	9.4
281.01846	2.4
281.05130	2.5
283.06699	8.5
286.07556	1.3
288.07294	1.8
289.05524	2.0
291.00305	1.1
291.03815	3.4
291.07050	1.7
293.07513	4.1
295.06647	3.0
301.05630	6.3
302.05798	1.1
305.04904	5.0
305.07370	6.9
307.06543	2.0
317.04959	1.3
319.06592	3.7
321.04935	9.0
321.10434	5.5
323.06131	61.7
324.06500	1.8
333.04947	1.6
335.05945	3.3
337.07571	1.9
341.07138	7.1
346.07782	3.8
349.07721	31.1
351.06119	2.1
353.07355	8.6
365.06885	16.8
367.08853	7.7
381.06955	3.3
383.08246	5.7
393.03421	3.1
395.08353	1.5
399.08121	3.1
407.08243	13.7
425.09348	27.0
427.07254	3.8
529.13116	1.1
555.08630	8.0
587.14441	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	586.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66763	27.3
55.67286	28.1
60.08746	25.4
67.05505	57.2
71.56559	42.9
79.05508	58.2
81.07061	73.5
82.69138	25.9
83.08625	30.1
86.09745	29.8
91.05486	63.9
93.07028	100.0
95.04910	35.0
95.08605	52.8
104.10755	70.7
105.07030	58.5
107.08600	40.9
110.46745	28.0
119.08621	67.5
121.10156	41.3
128.66568	29.6
131.08580	59.8
133.10118	42.0
136.66574	25.8
145.10187	28.9
149.06046	36.6
149.09697	28.0
171.11646	31.9
196.39131	26.8
199.05624	30.0
215.75775	29.7
269.22656	71.6
287.23642	78.4
341.10489	29.0
379.28741	43.4
464.34766	29.7
470.88766	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	4.4
57.06817	3.2
57.07081	38.1
58.36624	1.8
65.72871	1.9
67.05502	3.4
69.07067	5.5
69.35571	14.8
71.08633	25.9
73.06558	7.5
77.13455	1.6
79.05508	3.5
81.07067	3.3
83.08619	4.4
84.73858	1.7
85.10191	22.4
87.04477	5.9
89.06040	100.0
91.05477	4.0
93.07083	4.1
96.08974	1.8
97.10170	3.0
99.11729	3.7
105.07034	5.5
105.22404	1.8
107.07082	3.3
107.08627	3.0
109.10114	2.6
117.09103	3.9
118.66084	1.7
119.08616	4.1
121.10204	3.0
130.08711	2.6
133.08618	47.7
133.10123	2.6
135.11688	2.1
155.17941	3.0
157.09998	3.1
177.11226	20.2
182.48132	1.8
199.20537	3.3
210.57234	2.3
221.13873	5.7
232.06493	1.9
239.14853	2.8
243.23270	10.8
265.48331	1.7
287.25903	3.8
302.57983	1.8
415.25421	4.9
501.50513	2.0
569.42865	4.7
586.44727	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	586.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.8
53.03934	1.5
55.01869	0.8
57.03429	1.0
59.38345	0.3
61.02905	0.6
61.37730	0.4
65.25181	0.3
67.05509	0.5
67.85461	0.3
68.99786	0.8
69.03429	6.6
71.04996	0.7
72.07374	0.3
73.02918	1.1
75.75677	0.4
76.12120	0.3
78.03473	2.2
81.03417	5.8
81.07069	0.5
83.05013	0.6
85.02905	10.2
86.06055	0.6
87.00835	2.5
91.05498	0.7
92.28947	0.3
93.07066	0.4
95.26726	0.4
96.04493	100.0
97.02894	2.7
97.04806	0.4
99.04466	2.0
105.01875	2.2
105.06998	0.4
107.04964	0.7
109.02882	6.4
116.10738	0.4
117.01836	0.7
117.06982	0.5
119.04939	0.8
119.08559	0.4
127.03924	9.0
127.45676	0.4
129.01805	0.6
134.07297	0.8
135.08040	0.7
136.07570	2.6
138.39081	0.3
145.04944	2.4
145.06557	0.4
149.05968	0.5
159.02899	2.5
175.24342	0.3
201.05550	1.3
208.09267	0.4
208.40436	0.4
225.20819	0.3
231.04906	1.8
235.23465	0.4
243.10143	3.2
264.59653	0.4
272.00974	0.4
297.81403	0.3
326.23239	2.3
338.13867	13.7
404.82404	0.3
586.18927	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.7
53.03943	2.6
55.01864	1.3
55.05264	1.0
55.05513	15.9
57.03433	4.9
57.07072	3.7
64.40196	0.7
66.16126	0.6
67.05505	46.9
69.06720	1.0
69.07073	18.4
71.04999	2.4
71.08620	1.4
71.17756	1.2
71.18097	0.9
79.05495	31.6
79.05962	1.7
81.07058	52.8
83.04976	1.8
83.08624	8.8
85.06546	3.0
87.34567	0.8
89.06021	1.0
91.04895	0.8
91.05477	23.4
93.07048	35.2
95.04982	3.5
95.08605	40.9
97.06533	3.2
97.10181	5.0
99.08096	2.1
103.05447	0.6
105.07033	24.7
107.04936	0.8
107.08598	22.0
109.06500	2.1
109.10159	21.5
111.08100	1.7
111.11742	1.4
113.09649	1.0
115.05450	1.6
117.07023	10.8
119.08578	25.2
121.10145	21.3
123.08074	1.5
123.11706	9.3
125.09653	1.4
128.06271	1.0
129.06995	4.6
131.08572	20.6
133.08595	0.9
133.10133	22.5
135.08063	1.6
135.11690	15.7
137.09647	1.4
137.13252	2.4
139.11166	1.7
141.07025	1.5
142.07794	1.1
143.08554	8.2
145.10124	18.5
147.11690	17.8
149.09602	1.4
149.13297	8.1
151.14876	1.1
155.08578	2.6
157.10124	8.8
159.11685	15.0
161.13235	9.6
163.11147	1.1
163.14844	3.6
165.16431	1.0
169.10173	3.3
171.11679	6.8
173.13254	11.6
175.14810	5.2
177.12837	1.5
177.16405	2.1
181.10054	0.9
183.11653	4.0
185.13252	5.2
186.52542	0.7
187.14818	7.1
189.16379	3.6
191.14420	1.0
191.17982	0.9
195.11697	1.4
197.13264	3.4
199.14865	4.9
201.16426	2.7
203.17986	2.7
205.19510	1.2
205.49438	0.8
209.13362	1.5
211.14804	2.3
213.16484	5.7
215.17928	6.2
217.19568	1.5
219.17473	1.2
223.14922	0.9
225.16415	1.4
227.18114	1.5
229.15836	0.9
229.19589	1.9
231.17404	5.9
231.21140	1.8
233.19057	5.6
235.20583	1.0
239.17992	1.5
241.19589	3.6
243.17249	0.7
243.21053	1.1
247.09146	0.8
247.20435	0.9
253.19559	1.1
257.18930	1.1
259.20572	4.8
261.22040	6.2
271.20642	1.0
273.22186	1.2
279.23392	0.9
285.22205	1.7
287.23651	1.1
295.22702	1.0
299.23608	1.6
301.25220	1.1
303.23019	0.9
305.21182	1.6
307.22693	7.3
309.24261	6.2
323.26071	1.1
327.26959	1.7
333.24213	3.5
335.25854	8.4
337.27426	3.2
347.25793	0.9
351.25327	0.8
361.27625	0.9
395.33115	1.0
423.32053	0.8
461.32751	0.9
463.34219	1.1
475.34024	2.0
475.39856	1.3
493.40384	5.4
501.35965	1.3
511.41473	2.7
515.37726	1.1
516.38940	0.9
567.43915	11.4
585.45148	100.0
586.45599	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43688	2.3
53.03935	9.5
55.01857	4.0
55.05515	27.3
57.03431	8.0
57.07065	10.9
65.03931	6.8
67.05511	80.1
69.03405	2.6
69.07072	23.1
70.06577	3.3
70.55538	5.9
70.55870	3.0
71.04993	5.2
71.08635	5.1
73.33627	3.1
79.05496	92.2
81.03378	4.0
81.07060	67.7
83.04994	16.0
83.08634	14.1
83.68035	2.9
85.06525	7.2
89.06037	4.7
91.05485	100.0
93.06476	5.4
93.07048	84.2
93.14963	2.1
95.04985	18.6
95.08617	54.6
97.06523	7.7
97.10168	6.8
103.05455	3.3
105.07041	85.9
106.07360	6.5
107.04960	6.1
107.08607	34.7
109.06509	6.8
109.10172	17.4
111.08075	3.8
115.05441	5.3
117.07014	26.4
119.08589	68.7
121.06495	4.7
121.10138	28.7
123.08057	9.0
128.06221	6.9
129.05545	3.7
129.06999	27.6
131.08572	35.6
132.08919	3.3
133.06468	3.4
133.08588	4.1
133.10135	38.0
135.08003	4.8
135.11714	12.0
141.06981	3.2
142.07739	3.3
143.08580	25.4
145.10133	33.8
146.10493	5.1
147.08069	6.0
147.11693	42.6
149.09586	3.3
149.13226	4.9
151.14912	2.6
153.59174	3.0
155.08591	5.9
156.09282	6.3
157.10126	22.2
159.11739	13.6
160.59254	2.7
161.09691	5.4
161.13246	15.9
163.11240	3.1
163.14845	3.1
169.10115	8.9
170.10721	3.1
171.11725	36.6
173.13235	7.4
175.14775	10.6
183.11649	8.1
185.13286	12.2
187.14816	7.7
189.12819	15.3
189.16298	11.9
191.18016	3.4
195.11699	8.8
197.13271	5.4
199.14751	8.3
201.12784	3.0
201.16406	6.8
203.14568	3.4
203.17979	22.2
207.11813	3.0
207.13808	16.2
208.12233	3.1
209.13293	3.2
213.16397	6.1
225.16241	2.4
243.21170	2.9
255.17352	3.0
256.17966	2.6
259.20480	3.1
259.24237	6.0
266.20090	2.7
267.21167	3.1
269.22687	26.0
281.14636	4.5
281.17490	61.1
284.20810	3.0
285.22079	4.9
287.23654	30.5
312.29681	2.9
343.22327	2.6
351.51669	2.7
361.27451	18.8
402.52759	2.6
475.35812	6.4
493.36786	4.5
505.36264	2.9
567.40411	31.2
575.52802	3.3
585.42548	14.7
585.56519	8.2
603.77881	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	585.3424
Annotation	Avermectin B1a aglycone
Peak:m/z	Relative Intensity
51.02358	2.1
53.03952	13.4
55.01878	10.8
55.05515	25.1
57.03424	6.6
57.07060	1.4
65.03915	10.1
67.05508	72.2
69.03421	6.7
69.07073	14.1
71.04993	3.3
71.07761	1.7
71.23946	1.6
71.56979	2.2
73.06554	2.0
77.03898	2.1
79.05498	90.9
81.03426	38.4
81.07064	59.4
83.04985	14.9
83.08625	10.0
85.02914	7.9
85.06534	2.7
91.05489	96.6
93.07050	72.2
95.01313	3.0
95.04980	33.3
95.08610	34.3
97.02904	7.1
97.06527	3.5
97.10143	5.0
99.04492	2.2
103.05492	7.5
105.03383	2.4
105.04528	2.0
105.07040	70.0
107.04950	21.3
107.08606	20.0
109.02873	2.5
109.06531	8.9
109.10192	7.2
111.04429	6.6
111.08053	3.5
115.05461	12.7
116.06199	2.2
117.07026	40.8
119.04933	5.8
119.07789	2.4
119.08589	35.2
121.06528	12.0
121.10133	6.6
123.04430	5.4
123.08086	8.3
125.05993	3.2
127.07552	2.2
128.06230	15.7
129.07018	44.7
130.07799	1.9
131.04919	12.7
131.08574	29.9
133.06502	14.7
133.10132	15.7
135.04460	3.6
135.08095	9.4
135.11699	3.7
137.05916	3.0
137.09605	2.0
141.07002	11.4
142.07799	2.9
143.08568	26.8
144.05750	1.7
145.06480	21.4
145.10143	23.6
147.04416	9.1
147.08051	11.2
147.11702	28.3
149.05997	10.9
149.09604	4.1
151.07501	2.0
153.06982	4.3
154.07780	2.9
155.08574	12.7
156.09335	2.5
157.06483	10.5
157.10176	11.5
159.08092	13.1
159.11713	6.9
161.05966	8.7
161.09616	7.0
161.13277	10.7
162.06725	2.1
163.07529	10.0
163.11180	2.7
165.06989	2.7
166.07700	2.7
167.08574	11.5
169.10129	7.5
171.08101	14.3
171.11696	26.1
173.09685	3.0
173.13280	3.4
175.07576	8.3
175.11183	3.5
177.09145	2.3
177.12718	2.6
179.08653	1.9
181.10138	7.1
183.08047	3.5
183.11673	4.5
185.09680	8.2
185.13239	4.7
187.07497	3.0
187.11165	3.1
189.09061	3.8
189.12744	10.8
195.11670	4.4
196.20409	1.8
197.09767	1.9
197.13298	2.9
199.11172	2.7
199.14813	2.7
201.12755	2.5
207.11877	2.4
207.13771	16.2
209.13278	4.0
213.12766	3.4
213.16316	2.3
217.15738	2.2
219.11740	1.9
223.11182	2.8
223.14847	6.8
225.12851	2.5
227.14388	3.9
241.15901	7.5
243.14099	1.8
245.15416	6.7
251.14316	5.9
257.15518	2.9
259.16949	14.9
269.15402	26.4
279.15781	3.2
281.17468	29.4
282.17462	1.8
287.16425	100.0
288.16776	2.2
305.17484	10.6
343.19049	8.8
361.20120	31.0
379.21146	5.1
447.29572	1.5
475.28119	2.4
511.30731	2.4
539.33618	3.6
549.32013	5.9
555.34003	1.9
567.24426	2.7
567.33160	30.4
568.32672	2.3
572.31635	2.2
585.34161	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	584.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.2
55.05519	8.8
57.07080	8.9
58.78999	1.1
59.04996	3.1
65.03935	1.5
67.05508	16.4
69.03423	5.2
69.07069	10.9
70.06573	1.1
71.48762	2.0
73.64048	1.2
77.03906	1.4
79.05495	19.8
79.70362	1.1
80.06242	1.5
81.07065	21.1
83.04975	4.7
83.08616	3.9
85.06538	5.2
89.06028	5.0
91.04969	2.6
91.05489	33.6
93.07049	39.8
95.04979	9.3
95.08620	23.9
97.06520	3.8
101.94935	1.2
103.05469	3.1
105.07039	59.3
106.07841	3.1
107.04926	1.6
107.08595	32.7
109.06512	9.2
109.10154	15.3
111.08036	1.9
115.05447	3.8
116.06198	2.4
117.07014	16.3
119.08585	73.9
120.09357	4.9
121.06518	5.0
121.10155	23.4
123.08092	11.9
123.11712	4.7
125.05979	4.7
125.09638	1.3
128.06219	8.7
129.07005	17.6
130.07782	5.3
131.08578	37.6
132.09329	3.9
133.06453	2.0
133.08600	2.6
133.10130	32.7
133.11087	2.7
135.08055	11.9
135.11693	10.8
137.05940	1.7
137.09608	9.7
139.07536	1.8
139.11212	1.6
141.07011	7.5
142.07785	18.6
143.08582	33.4
144.09357	8.9
145.06461	3.4
145.10130	50.4
145.11290	2.6
146.10834	3.0
147.08064	17.2
147.11708	15.0
149.09653	9.0
149.13271	3.4
151.07561	8.5
153.06999	3.0
154.07755	2.3
155.08557	14.3
156.09351	14.8
157.10130	49.5
158.10950	8.3
159.08057	6.3
159.11702	27.3
160.12469	2.3
161.09630	7.8
161.13242	8.9
163.11205	10.4
165.06982	2.8
165.09113	24.5
167.08575	7.4
168.09344	7.4
169.10147	20.7
170.10834	9.3
171.08054	1.5
171.11693	27.1
172.08733	1.4
172.12491	7.5
173.09656	5.5
173.13269	18.4
174.10370	1.5
175.11186	15.7
175.14810	9.9
176.12000	1.8
177.09047	1.8
177.11299	1.7
177.12740	4.4
179.08562	7.2
179.10677	1.7
180.09305	4.2
180.11520	1.8
181.10161	13.3
181.12151	6.4
182.10870	7.6
183.08058	1.9
183.11697	21.5
184.12396	3.6
185.09642	2.9
185.13254	17.7
186.13939	1.9
187.11205	4.1
187.14865	6.3
189.12752	6.5
190.13504	5.6
191.10703	2.9
191.14285	3.0
192.09352	2.4
193.10150	7.4
193.12254	10.1
194.10963	6.1
194.12506	1.3
195.11731	17.1
195.13669	2.5
196.12448	5.5
197.09669	2.5
197.13275	16.8
198.10291	1.9
198.14021	3.6
199.11191	5.2
199.14915	5.7
201.12759	5.5
201.16368	3.3
203.14352	14.4
205.10233	1.9
205.15887	1.7
206.10921	2.9
207.11659	10.4
207.13843	8.6
208.12456	5.3
208.14609	5.1
209.09691	1.2
209.13329	13.9
209.15215	1.8
210.14058	3.8
211.11235	2.8
211.14830	7.5
213.12686	3.5
213.16264	2.5
215.14319	2.4
217.10042	2.0
217.15958	1.7
219.11749	2.9
219.13799	4.0
219.17551	1.3
220.12520	1.4
220.14580	1.7
221.13264	7.4
221.15338	49.3
222.13896	2.1
223.14868	12.1
224.15495	2.0
225.12741	3.5
225.16367	5.3
226.13501	1.7
227.14342	2.4
229.15894	1.7
233.13301	3.7
233.15405	2.2
234.14079	2.0
234.16165	9.5
235.14819	6.5
236.15379	1.9
237.12741	4.5
237.16499	6.6
239.14326	2.4
239.17949	2.9
241.15923	2.3
243.17555	1.4
244.12419	1.8
246.13890	1.6
247.14758	3.5
247.16957	9.1
249.16469	3.5
251.14397	2.0
251.17960	3.8
253.15833	2.4
253.19463	1.8
255.17566	2.1
257.19067	1.7
259.17081	2.5
263.18024	5.5
265.15906	2.1
265.19586	1.7
267.17545	2.2
268.18259	1.4
271.16986	2.9
271.20593	2.2
274.19290	3.0
275.17889	1.7
277.15790	1.7
279.17441	2.9
281.18958	4.0
283.20444	2.0
285.18561	2.2
286.19318	3.4
287.20218	1.8
289.19504	1.5
296.21497	2.4
297.18561	2.2
299.20261	9.7
300.20853	2.3
310.19162	2.0
311.19913	1.9
311.29550	2.6
312.20737	3.3
312.24490	3.0
319.20486	2.1
323.20264	1.6
324.21024	1.7
325.21680	10.8
337.21875	6.3
352.23987	68.3
353.24496	1.7
365.24734	15.1
371.22958	1.7
376.27649	1.7
378.25229	2.5
383.25668	2.3
391.26141	3.1
397.27332	2.7
398.28165	7.7
404.30688	6.1
409.26871	1.4
411.28949	2.4
412.29736	16.2
425.30496	5.7
438.31387	13.8
489.33411	6.3
490.34344	2.3
491.35272	11.1
492.35574	5.0
504.35986	100.0
505.36395	2.5
566.40625	1.7
569.39471	3.5
584.42151	21.6
584.55652	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	584.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02962	1.3
53.03944	2.5
55.05510	10.7
56.85962	1.2
57.07074	13.6
59.05006	1.7
59.53887	1.2
65.03934	1.1
65.72581	1.2
67.05511	16.0
69.03429	6.4
69.07075	15.0
71.08639	1.8
79.05055	1.6
79.05492	19.7
79.71411	1.3
81.03400	1.6
81.07063	28.3
83.04977	4.1
83.08614	5.4
85.06546	5.9
87.04436	1.4
89.06028	9.2
91.05053	0.8
91.05479	34.5
93.07046	39.2
95.04966	5.3
95.08025	2.4
95.08607	23.3
97.06544	3.8
97.10138	1.6
103.05481	2.7
105.07035	60.4
106.07851	2.4
107.04974	1.2
107.08598	31.9
109.06518	10.3
109.10165	13.0
111.08078	3.1
112.38125	1.2
115.05463	4.7
116.06233	1.9
117.07023	18.3
119.08585	76.2
120.09371	3.9
121.06535	5.9
121.10150	23.2
122.07285	2.2
123.08057	8.9
123.11696	4.6
125.06042	3.5
125.09615	1.9
128.06200	7.0
129.06999	16.6
130.07784	4.5
131.08572	34.5
132.09328	3.8
133.06505	4.2
133.08667	6.0
133.10135	34.8
134.10934	1.4
135.08044	13.6
135.11688	12.0
136.08830	1.3
137.09605	8.8
139.07675	1.3
141.06978	6.9
142.07771	19.1
143.08568	31.3
144.09344	9.4
145.06473	3.6
145.10130	45.7
146.10912	2.6
147.08073	16.2
147.11681	12.9
148.08922	1.4
149.09630	8.2
149.13213	2.4
151.07587	6.3
153.06975	2.2
153.09058	1.7
154.07784	2.4
155.08568	15.2
155.98396	1.1
156.09352	13.8
157.10130	47.3
158.10934	9.3
159.08061	4.5
159.11714	29.2
160.12213	1.3
161.09660	7.3
161.13231	7.0
163.11206	9.6
165.07054	3.0
165.09117	27.0
166.07776	2.9
167.08566	8.6
168.09329	6.6
169.10124	18.1
170.10934	8.8
171.07985	1.7
171.11690	25.5
172.12477	9.2
173.09642	3.3
173.13287	17.7
175.11203	14.8
175.14783	7.4
177.11339	2.7
177.12744	4.0
178.07719	1.7
179.08556	4.1
179.10754	1.6
180.09354	3.0
181.10155	12.5
181.12201	7.6
182.10957	6.1
183.11693	22.0
184.12440	5.2
185.09642	2.8
185.13261	17.4
186.13930	1.4
187.11183	3.1
187.14825	6.0
189.09196	1.4
189.12712	7.5
190.13570	4.7
191.08633	1.2
191.10616	3.0
191.14400	3.0
192.09442	2.7
193.10141	8.9
193.12306	5.9
194.10934	3.7
195.11703	16.5
195.13483	2.4
196.12463	4.2
197.09586	2.2
197.13266	16.6
198.10338	2.1
198.14114	3.0
199.11203	5.4
199.14844	6.2
200.15642	1.4
201.12720	5.5
201.16364	3.3
203.14326	13.0
205.10205	1.8
205.12189	1.7
206.10995	2.2
206.12971	1.4
207.11716	8.9
207.13821	10.0
208.12495	4.6
208.14612	5.9
209.13293	15.4
209.15161	2.5
210.14073	2.6
211.11252	3.7
211.14830	10.4
212.15523	1.5
213.12750	4.4
213.16383	2.6
215.10681	1.5
215.14363	1.6
217.15878	2.5
219.11745	3.3
219.13785	3.0
220.12489	1.8
221.13304	7.6
221.15349	52.5
222.14037	3.1
223.11314	2.7
223.14827	8.9
224.15755	1.6
225.12807	2.2
225.16405	5.8
227.14415	2.9
229.15842	1.8
231.11685	2.7
231.17453	1.8
233.13271	5.3
234.16086	8.2
235.14833	5.6
237.12787	4.3
237.16379	5.3
239.17912	3.6
240.15094	1.4
241.15948	2.5
241.19574	1.6
243.13896	2.8
245.15408	1.9
247.14769	2.4
247.16978	9.7
249.16469	3.8
251.14473	2.2
251.17905	4.1
253.15921	2.8
253.19614	1.9
255.17361	1.4
259.17001	4.0
260.15552	1.5
261.16107	1.7
263.18036	2.6
265.15942	1.8
265.19589	2.6
267.17520	1.7
269.19116	1.9
271.17032	3.1
271.20569	1.4
274.19424	2.6
275.17871	2.3
277.16025	1.5
279.17471	2.3
279.20755	1.8
281.18881	3.0
283.17142	2.0
285.18515	2.5
286.19324	2.2
287.20233	2.4
289.19418	1.6
291.21237	1.5
296.21362	3.0
297.18576	2.3
298.19519	2.0
299.20203	10.9
300.20856	2.9
309.18616	1.8
310.19278	2.2
311.20148	2.0
311.25894	1.7
312.20959	3.0
312.24609	3.7
319.20651	2.7
325.21664	10.6
337.21542	8.3
339.23257	1.6
351.23077	2.3
352.23975	69.2
353.24332	2.4
361.25336	2.2
365.24753	12.9
371.22766	2.6
376.27737	3.3
378.25574	2.6
383.25601	2.6
391.26395	3.5
397.27844	2.7
398.27975	5.9
404.30777	8.5
411.29028	3.0
412.29745	17.0
425.30399	4.7
431.29318	1.5
438.31223	10.8
489.33423	5.2
491.35196	11.2
492.35629	4.6
504.35989	100.0
505.36508	1.8
566.40674	1.9
569.39990	3.0
584.42053	18.9
584.56500	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	584.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41239	1.6
55.05513	10.7
56.66672	1.6
57.07082	9.2
57.41835	1.6
61.89838	1.9
65.03927	3.0
67.05507	14.2
69.03442	2.5
69.07061	10.2
70.06586	6.0
70.11659	8.7
71.05006	2.3
71.08629	4.6
76.66106	2.1
79.05498	18.7
80.06283	2.7
80.99111	1.9
81.07063	22.6
83.04979	4.5
83.08612	4.2
85.10171	1.9
87.04458	5.4
88.07621	1.9
89.06036	100.0
91.05486	32.8
93.07043	37.3
94.88354	1.8
95.04975	19.1
95.08610	15.6
97.06519	5.9
103.05483	2.9
105.07034	57.2
107.04884	2.0
107.08597	28.1
108.72787	1.6
109.06548	4.5
109.10161	16.7
111.08058	2.6
115.05427	3.9
116.06219	2.2
117.07041	16.3
119.08587	49.2
121.06522	4.3
121.10149	32.2
123.08080	15.0
123.11713	4.3
125.09630	2.0
128.06210	8.0
129.07022	12.6
130.07751	5.5
130.08656	2.8
131.08577	29.3
133.06528	2.5
133.08611	65.8
133.10121	27.9
135.08034	7.6
135.11670	9.5
138.10382	2.2
139.11168	3.5
141.07001	5.8
142.07750	10.2
143.08588	25.7
144.09334	8.1
145.06573	3.1
145.10132	38.3
146.11836	2.6
147.08038	5.3
147.11656	14.8
148.08820	2.3
149.09622	5.0
149.13239	2.1
151.11203	3.2
153.06960	2.4
154.07677	2.0
155.08588	10.0
156.09302	10.1
157.10135	29.6
158.10890	4.7
159.08046	7.1
159.11685	19.1
161.09608	9.6
161.13217	4.5
165.07034	2.8
166.07861	2.3
167.08592	7.1
167.10616	3.3
168.09363	3.1
168.84750	1.9
169.10138	19.7
170.10832	5.1
171.11707	18.7
173.09631	4.6
173.13290	13.9
174.10432	2.6
175.11159	3.4
175.14810	5.8
177.11249	23.9
179.08534	7.9
180.09343	4.9
181.10115	9.8
182.10939	5.9
183.11720	15.2
184.12376	3.1
185.09621	2.1
185.13281	11.7
186.14056	3.2
187.14803	7.5
189.12766	1.9
191.14247	3.7
193.10251	3.6
194.10814	3.8
194.26118	1.8
195.11714	15.4
196.12445	5.1
197.09573	2.1
197.13261	13.9
199.11177	4.2
199.14787	8.3
199.16553	2.2
200.15569	3.5
205.10242	2.9
205.16006	2.2
206.10892	4.3
207.11681	7.6
209.13216	12.9
210.13989	3.4
211.11198	2.5
211.14691	11.6
213.12785	3.3
213.16403	3.7
217.15804	4.0
218.16750	2.8
221.13438	8.0
222.15717	2.2
223.14885	7.8
224.15320	2.0
225.16437	4.3
227.14288	5.3
229.15913	2.3
233.13284	3.6
233.15402	5.9
234.14143	2.0
235.14900	4.3
237.16368	6.4
239.14702	3.3
239.17845	2.8
247.14835	6.4
249.16458	2.8
251.14365	2.2
255.17480	22.4
256.26385	5.0
261.16382	2.4
265.15814	2.2
269.19162	3.2
270.19662	3.5
283.17352	6.8
283.26376	4.2
300.28952	8.2
311.29382	10.5
327.20337	4.6
337.25079	2.4
349.25320	6.7
360.24258	3.0
371.22806	28.6
412.98376	1.9
446.31567	2.3
492.35248	3.0
566.40332	2.3
584.42010	7.7
584.56018	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.9
55.05526	17.0
55.48388	2.7
57.07083	14.8
65.03941	3.6
67.05514	32.9
68.56810	2.8
69.03438	4.6
69.07068	16.7
70.06591	5.1
71.08635	5.7
79.05496	39.9
79.70506	3.4
80.06297	3.1
81.07066	47.4
83.04987	4.7
83.08640	8.4
83.57236	2.9
85.06563	5.0
88.07590	5.4
89.06050	6.5
91.04964	6.7
91.05494	71.0
93.06469	5.0
93.07053	70.3
95.04984	32.9
95.08608	41.7
97.06522	4.8
103.05483	6.3
105.07036	98.8
107.08611	51.3
109.06516	10.4
109.10156	27.5
111.08105	3.4
115.05470	12.6
116.06255	4.1
117.07018	33.0
119.08591	100.0
120.09410	5.7
121.06493	7.9
121.10139	45.2
122.10475	3.6
123.08076	32.1
123.11724	7.9
125.09644	2.9
128.06216	18.9
129.07025	25.4
130.07814	7.0
131.08580	75.3
132.09360	9.3
133.06525	4.8
133.10144	59.2
135.08067	11.4
135.11720	22.5
137.09621	10.7
138.10390	8.9
141.07011	19.3
142.07788	26.3
143.08588	48.8
144.09375	15.5
145.10136	79.5
146.10785	5.5
147.08038	8.4
147.11732	22.9
149.09653	5.9
149.13297	5.3
151.07545	6.7
151.11194	5.3
153.07028	8.7
154.07780	5.5
155.08574	24.7
156.09360	19.8
157.10150	55.3
158.10782	10.2
159.08084	5.9
159.11710	35.8
160.12294	3.3
161.09651	9.2
161.13300	8.5
163.11235	5.8
165.06967	11.6
165.09117	10.6
166.07791	3.7
167.08594	12.0
168.09344	12.2
169.10132	39.3
170.10841	12.4
171.11697	42.5
172.12411	7.7
173.09618	4.2
173.13264	36.7
175.11169	3.9
175.14853	22.2
177.12816	10.6
179.08560	12.9
180.09276	10.7
181.10130	22.5
182.10899	13.8
183.11679	32.7
184.12411	6.3
185.13275	27.0
186.13965	6.0
187.14891	15.2
189.12796	8.7
190.13354	3.4
191.08583	3.3
191.14317	13.1
192.09352	9.4
193.10139	14.8
194.10924	11.5
195.11716	30.3
196.12383	6.6
197.13274	32.0
198.13885	5.0
199.14842	13.4
201.12766	7.3
201.16371	9.4
203.14375	11.8
204.14830	4.0
205.16196	3.0
206.11043	3.9
207.11789	17.4
207.13547	3.5
208.12506	8.5
209.13275	29.7
210.13972	4.9
211.14777	16.6
213.12723	3.4
213.16191	4.8
217.15834	4.7
218.10881	3.7
219.11664	9.7
221.13264	15.3
221.15404	21.5
222.13841	4.5
222.15773	10.7
223.14853	13.4
224.15503	4.3
225.12848	5.3
225.16403	9.6
233.13240	7.8
234.14087	3.7
235.14812	11.3
236.15509	4.0
237.16473	6.2
239.17931	4.7
247.14783	6.6
249.16328	8.8
251.17970	5.7
256.26520	3.4
259.14661	6.1
261.16345	6.4
263.17969	6.7
265.19571	6.1
273.16226	5.3
275.17853	5.0
283.20557	4.3
283.26361	5.0
284.21564	4.0
297.22137	4.2
300.29044	5.6
311.29492	9.6
323.23734	4.7
336.24536	10.8
338.25989	27.0
352.23642	4.3
369.75668	3.5
404.30527	5.7
476.36710	4.8
492.35577	4.4
566.40741	15.9
584.42114	60.7
584.55811	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	584.4216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90770	3.3
53.03946	9.9
55.05515	18.6
57.07082	18.3
67.05515	28.6
69.03432	11.2
69.07063	19.0
69.31142	30.2
70.06580	6.2
71.08635	6.6
79.05504	37.3
81.06578	5.0
81.07063	53.4
83.04987	9.7
83.08613	9.8
85.06535	4.3
89.06017	4.0
91.05485	49.4
93.07053	71.8
94.07389	5.2
95.04975	14.4
95.08613	43.4
96.08975	3.4
97.06583	4.0
103.05508	5.5
105.07038	99.9
106.07352	5.9
107.04991	4.2
107.08605	49.2
108.08912	3.3
109.06518	10.6
109.10158	29.0
111.08092	4.4
115.05448	3.2
117.07040	21.2
119.08581	100.0
120.08907	4.7
121.06506	5.9
121.10158	51.0
122.10419	4.4
123.08079	13.6
123.11715	13.4
128.06227	13.8
129.07019	17.2
130.07823	5.9
131.08572	42.8
132.09326	5.0
133.08603	5.5
133.10155	59.3
135.08054	9.3
135.11713	27.2
135.12653	4.0
137.09618	16.1
141.07004	9.4
142.07806	17.8
143.08588	46.2
144.09398	7.9
145.06424	4.7
145.10130	73.5
147.08067	10.9
147.11691	28.5
148.08426	4.4
149.09624	12.8
149.13235	3.7
151.07568	8.9
152.07777	3.8
153.07018	5.4
155.08565	17.3
156.09386	21.2
157.10138	49.1
158.10843	9.3
159.08070	12.3
159.11707	46.8
161.09647	7.7
161.13300	18.1
163.11151	8.0
165.09099	18.5
166.09409	5.3
167.08614	8.5
168.09293	9.2
169.10123	34.3
170.10886	6.6
171.11713	30.5
172.12157	3.9
173.13287	31.2
175.11162	8.0
175.14809	15.9
179.08563	10.1
179.14302	4.4
180.09264	4.4
181.10188	16.8
181.11617	3.2
182.10706	5.2
183.11710	29.4
184.12415	5.8
185.09654	3.9
185.13268	20.8
186.13969	5.1
187.11162	4.7
187.14799	7.6
189.12695	7.0
191.14316	6.0
193.10161	10.9
194.10947	10.3
195.11771	20.1
196.12355	8.5
197.13257	29.2
199.11325	4.8
199.14841	13.6
201.12740	4.2
201.16408	7.3
203.14348	7.5
204.14619	3.8
207.11742	14.3
207.13724	3.5
208.12329	6.8
209.13258	18.9
210.14026	6.9
211.14833	17.7
213.16451	7.4
219.11716	5.1
219.17328	4.2
221.13266	12.8
221.15431	23.9
222.13818	3.9
222.15720	15.9
223.14789	12.9
225.16411	13.9
233.13254	6.5
233.15361	7.5
235.14664	7.6
236.15219	3.5
237.16438	16.7
239.17894	9.3
247.14659	5.2
248.15445	3.7
249.16368	6.9
251.17961	3.5
255.17439	11.7
256.26315	7.7
257.19073	4.0
259.14859	3.7
261.16266	5.1
263.18060	6.5
269.19113	6.2
275.17935	4.9
283.26550	5.7
295.20319	4.1
297.22168	9.3
300.29062	10.0
311.29459	16.2
360.24728	4.2
363.26559	5.0
395.39685	4.0
403.30136	8.2
404.29898	7.0
492.35764	7.0
541.40210	6.5
566.41064	14.9
584.41980	71.5
584.56036	52.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.2
54.15233	1.7
54.24954	1.5
55.05513	18.1
56.20483	1.6
57.03441	4.9
57.07067	3.5
62.29943	1.6
65.03944	2.4
67.05509	39.3
69.07073	11.7
69.41566	1.5
71.05005	3.0
71.08636	2.1
79.05501	28.7
81.07065	37.2
83.04986	3.2
83.08626	8.3
85.06535	3.9
91.05489	29.2
91.15569	1.8
93.07052	32.8
95.04971	6.8
95.08614	33.3
97.06533	3.1
97.10154	2.2
99.08091	2.1
105.07035	34.5
105.07676	2.7
107.08603	21.4
108.56428	1.9
109.06537	1.9
109.10164	13.1
111.08105	1.9
115.05444	3.1
117.07009	12.6
119.08586	26.6
121.10158	15.0
123.08118	4.4
123.11731	4.0
128.06242	3.8
129.07007	12.5
131.08591	22.0
133.10149	26.5
135.08058	2.1
135.11700	9.0
137.09622	2.1
140.37683	1.7
141.06995	4.5
142.07834	4.2
143.08603	15.0
145.06476	1.9
145.10132	27.9
147.11694	21.9
149.13257	4.6
155.08588	6.9
156.09358	3.6
156.72002	1.7
157.10136	15.8
159.11708	15.7
161.13280	7.9
163.14822	2.1
167.08527	2.4
169.10185	8.9
171.11754	16.7
173.13309	9.9
175.14821	3.8
179.08618	2.6
181.10226	4.2
183.11705	11.5
184.12579	2.0
185.13264	11.3
187.14832	8.0
189.16382	2.8
195.11726	6.1
197.13295	8.0
199.14862	7.0
201.16371	4.6
203.18036	2.5
207.11671	2.6
209.13348	4.7
211.14923	5.7
213.16347	11.3
221.13286	2.4
221.15317	2.6
223.14769	2.8
225.16481	3.7
227.18054	3.6
231.17484	11.3
237.16521	3.2
239.18062	2.0
241.19633	2.4
241.87311	2.0
335.26047	4.9
473.37839	3.6
491.38828	7.5
509.40225	4.6
513.36389	2.1
565.42371	8.0
583.43597	100.0
584.43964	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	583.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76228	1.7
53.03943	3.5
55.01871	3.3
55.05520	19.0
57.03436	6.4
57.07092	3.9
65.03930	3.6
67.05170	2.9
67.05514	48.1
69.07076	16.7
71.05006	2.1
71.08634	2.1
71.48913	3.3
79.05502	44.0
81.07066	42.6
83.04987	3.9
83.08632	8.5
85.06541	2.4
89.06047	6.2
91.05489	39.0
93.07053	45.3
95.05000	3.3
95.08616	35.1
96.75209	1.6
97.06542	5.4
97.10204	4.0
97.82292	1.8
98.48460	1.6
99.08104	2.4
105.07041	34.7
107.08599	22.6
109.10161	16.3
111.08096	2.2
115.05471	3.0
117.07045	13.6
119.08595	34.7
121.10155	22.0
123.11716	3.3
125.09663	1.5
128.06261	3.0
129.07010	10.5
131.08583	24.6
133.10155	26.7
133.73618	1.6
135.08075	2.1
135.11723	12.7
137.09622	2.0
141.07037	3.8
142.07867	1.6
143.08592	13.4
144.09329	2.1
145.10133	25.8
147.11697	18.2
147.69310	1.7
149.09734	1.9
149.13295	7.2
154.07848	2.1
155.08600	5.0
156.09390	2.0
157.10152	17.6
159.11734	16.5
161.13258	15.2
162.83698	2.0
163.14847	3.8
165.09166	1.9
167.08620	1.9
169.10213	6.2
171.11690	18.3
173.13292	15.6
175.14891	5.1
177.11288	2.6
177.12730	1.8
181.10097	3.7
183.11711	9.2
185.13316	10.9
187.14873	4.9
189.16414	3.3
195.11859	3.8
197.13374	5.7
199.14900	6.8
201.16455	4.7
203.14384	2.2
209.13309	3.7
211.14871	4.4
213.16443	5.8
215.18082	7.5
217.19429	1.8
221.13477	2.1
221.15431	4.1
223.14807	2.8
225.16524	2.9
227.18121	2.5
231.17484	3.4
233.19150	2.2
235.14787	2.8
237.16422	2.6
239.17899	4.1
241.19518	8.3
251.17964	2.1
257.18997	3.4
259.20624	18.4
269.19135	2.1
269.22351	1.6
307.22675	23.6
333.24344	8.9
335.25778	3.5
491.39050	8.2
509.40076	3.6
513.36108	2.7
565.42957	8.9
583.43646	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.5
54.11483	2.3
55.05518	22.1
57.03449	4.8
57.07073	5.2
65.03942	2.1
67.05510	52.3
67.05865	2.6
69.06789	1.9
69.07079	17.2
71.05000	3.4
71.24256	2.2
71.57554	3.1
79.05501	49.8
81.07063	62.3
83.04952	2.4
83.08629	9.2
85.06551	3.1
91.05490	44.9
93.07052	59.1
95.04981	7.5
95.08617	43.2
97.06561	5.5
97.10204	7.0
99.08120	3.3
105.07040	43.6
107.08601	27.0
109.06520	3.4
109.10168	18.3
111.08085	3.7
117.07022	18.8
117.75167	2.3
118.20636	2.2
119.08590	43.3
121.10165	26.6
123.08090	5.2
123.11715	6.2
125.09676	3.0
128.06265	3.5
129.07025	15.5
131.08577	28.9
133.08632	4.3
133.10146	37.4
135.11719	18.0
137.09659	3.9
137.13341	2.5
141.06987	3.5
142.07805	3.8
143.08549	17.0
145.10129	26.4
147.11688	20.8
149.09599	2.6
149.13301	7.5
149.87177	2.7
155.08609	7.4
156.09377	3.1
157.10130	20.7
159.11705	23.4
161.09703	3.0
161.13318	16.2
163.11200	2.9
163.14902	3.6
169.10149	11.2
171.11667	21.0
173.13254	15.3
175.14862	5.0
181.10199	4.9
183.11746	9.1
185.13306	11.5
187.14873	4.9
189.16386	2.9
195.11691	2.6
197.13251	5.9
199.14871	10.9
205.15997	2.6
209.13333	5.5
211.14877	6.4
213.16547	3.2
215.18002	4.3
221.15509	2.6
223.14871	4.4
231.17668	4.7
239.17958	3.9
241.19582	10.0
253.19589	2.4
257.19107	6.1
259.20538	16.1
285.22018	3.1
307.22641	21.1
309.24661	2.7
333.24289	12.0
335.25946	3.5
491.39331	4.2
509.40161	4.0
565.42438	8.4
583.43542	100.0
584.43896	5.1
604.57916	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	583.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73122	2.7
53.03943	6.7
54.54514	2.6
54.88979	2.8
55.01861	3.6
55.05513	21.2
57.07067	9.9
65.03941	7.1
67.05170	4.0
67.05508	39.0
69.03413	10.7
69.07077	29.2
69.59026	20.6
71.04984	4.0
71.08637	4.1
79.05500	41.0
81.07066	47.1
83.04976	12.0
83.08618	14.9
85.06524	9.1
89.06018	4.3
91.05490	64.0
93.07054	69.3
95.04966	17.8
95.08610	38.0
97.06532	12.7
103.05456	4.5
105.07041	89.9
107.08605	62.0
109.06533	9.7
109.10168	35.1
111.08115	3.6
115.05450	9.1
117.07023	23.5
119.08590	94.0
121.06511	7.8
121.10162	66.4
123.08078	13.4
123.11702	14.1
125.06068	3.0
125.09602	7.1
128.06253	14.7
129.07011	22.9
130.07803	7.6
131.08586	52.8
133.10141	49.9
135.08051	8.7
135.11711	25.1
137.09625	14.0
141.06993	9.5
142.07796	27.4
143.08594	40.7
144.09349	8.1
145.10136	69.9
147.08070	13.1
147.11710	23.7
149.09625	16.0
149.13249	6.2
151.07541	10.7
154.07808	4.0
155.08592	18.3
155.10715	3.9
156.09378	21.6
157.10147	64.5
158.10902	7.3
159.08092	9.3
159.11700	38.8
161.09622	11.3
161.13263	11.5
163.11166	10.1
165.06995	8.8
165.09149	17.5
166.07703	4.7
167.08568	15.1
167.10707	46.4
168.09438	7.3
169.10150	38.6
170.10931	14.5
171.11702	37.4
173.09612	8.2
173.13258	32.0
175.11188	4.9
175.14845	12.6
179.08524	14.8
180.09380	6.4
181.10179	26.0
181.12260	8.2
182.10928	7.3
183.11679	30.9
184.12424	7.1
185.09645	5.9
185.13283	19.2
187.11102	4.0
187.14845	10.5
189.12755	7.3
191.14323	9.7
192.09352	5.9
193.10159	12.0
194.10883	10.0
195.11725	27.7
196.12410	10.1
197.13336	23.9
199.11244	4.2
199.14833	27.3
201.16440	7.9
203.14330	10.0
205.10110	5.5
206.11017	5.4
207.11761	22.7
208.12404	8.4
209.13274	32.2
211.11243	2.9
211.14830	12.6
213.16394	5.4
215.14243	5.5
217.10057	4.1
217.15973	19.6
219.11609	7.3
220.12529	8.2
221.13254	17.9
221.15405	33.2
222.13997	4.2
223.14790	15.5
225.16434	6.0
227.14365	5.7
230.10953	6.6
231.11684	8.8
232.12437	6.2
233.13269	13.0
233.15422	18.5
235.14882	16.3
237.16397	9.9
239.14349	6.4
239.17941	7.3
245.13225	11.1
246.13985	5.0
247.14828	11.6
249.16373	7.0
250.17340	3.9
251.17941	9.4
257.18979	5.0
258.14014	3.5
259.14838	5.0
260.15598	3.4
261.16260	10.0
263.17960	6.3
265.19574	7.8
269.18994	5.1
273.16318	4.6
275.17926	8.5
276.18704	2.9
277.19476	7.4
283.20551	8.6
285.18753	5.1
285.21976	3.6
287.17770	3.2
289.19553	3.4
295.20462	3.5
297.22073	4.3
299.20227	6.0
301.19260	4.0
303.21149	4.1
323.23859	3.2
331.23972	5.7
335.23428	4.5
349.25330	8.0
361.25226	6.7
375.27029	4.4
381.10205	3.4
491.35147	11.5
565.40460	21.8
578.52478	3.4
583.41589	100.0
584.41656	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.0
55.01856	3.0
55.05510	15.1
57.07074	11.7
65.03930	5.0
67.05510	27.1
69.03427	8.1
69.07072	15.7
69.29359	26.2
71.04998	3.4
77.63486	2.6
79.05507	27.0
81.07059	36.7
83.04981	7.5
83.08613	8.7
85.06539	7.4
91.04961	3.9
91.05490	46.3
93.07053	57.6
95.04958	12.3
95.08617	36.5
97.06544	6.8
103.05443	3.5
105.07042	75.1
107.08604	42.6
109.06528	10.0
109.10149	20.5
115.05460	8.9
116.06236	3.6
117.07028	19.0
119.08591	87.2
121.06548	6.1
121.10158	45.4
123.08048	19.1
123.11694	4.6
128.06221	15.8
129.07022	23.3
130.07811	8.0
131.08580	30.4
133.06502	4.4
133.10141	45.5
133.85420	2.4
135.08080	9.7
135.11665	13.5
137.09642	9.9
139.11217	2.9
141.07011	9.2
142.07802	26.1
143.08578	44.2
144.09358	7.9
145.06458	3.1
145.10133	51.4
147.08080	18.5
147.11691	19.9
149.09616	8.0
149.13297	5.0
151.07555	17.2
153.07022	6.7
154.07759	4.6
155.08557	17.0
156.09372	21.5
157.10146	63.2
158.10951	11.2
159.08005	3.7
159.11713	30.6
161.09669	6.8
161.13269	9.4
163.11211	8.5
165.07021	8.2
165.09120	40.0
166.07779	3.1
167.08569	15.5
167.10689	11.9
168.09370	8.1
169.10149	33.7
170.10948	10.8
171.11702	32.8
172.12498	3.9
173.09671	4.8
173.13310	23.7
175.11157	5.9
175.14830	10.7
178.07877	3.2
179.08549	16.6
180.09370	6.3
181.10118	21.3
181.12247	6.3
182.10905	13.3
183.11714	33.5
184.12482	5.5
185.09621	3.0
185.13277	20.8
187.11238	3.2
187.14873	5.5
189.12805	7.4
191.08620	2.9
191.14345	11.8
192.09370	5.2
192.11302	2.6
193.10156	21.8
193.11728	3.0
194.10954	11.0
195.11667	21.2
196.12474	10.2
197.13287	27.2
199.14832	16.9
201.12709	4.4
201.16370	4.7
203.14331	15.6
205.10191	4.8
206.10893	6.1
207.11731	19.7
207.13686	5.0
208.12476	9.7
209.13266	26.8
209.15169	3.5
210.14278	3.9
211.14812	13.2
213.16388	3.1
217.10149	4.6
217.15942	11.3
218.11012	3.5
219.11804	12.1
220.12531	9.0
221.13284	14.4
221.15323	63.2
223.14851	17.6
224.15576	3.6
225.12793	2.9
225.16418	7.8
227.14449	4.0
229.15942	3.3
231.11887	5.7
232.12469	4.7
233.13454	11.8
233.15440	5.8
234.14027	5.5
235.14822	13.5
236.15733	3.7
237.16460	9.0
239.14418	3.6
239.17964	3.5
243.11794	4.9
244.12596	6.1
245.13313	8.9
246.14021	5.8
247.14786	12.0
248.15475	3.6
249.16428	11.2
250.17087	2.6
251.18056	5.2
253.19681	3.2
257.13260	4.4
257.19055	8.3
259.14844	6.5
260.15652	7.1
261.16364	12.0
263.18066	10.0
265.19620	9.3
269.19272	3.2
273.16327	3.8
274.63620	2.5
275.17838	12.4
277.19617	7.2
283.20508	16.2
287.20325	4.0
289.19479	6.9
290.20334	4.7
291.21045	3.2
293.19156	3.4
297.22159	5.4
303.21194	3.4
317.22797	3.6
331.24371	4.6
349.25073	6.8
375.26776	7.9
403.30060	7.5
467.33350	3.0
478.10226	2.8
491.35443	3.9
503.35101	5.5
547.39417	3.9
565.40424	22.3
583.41443	100.0
584.41937	6.2
604.53741	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	3.5
53.03940	7.0
55.05515	14.9
57.07065	12.1
59.05008	4.6
59.81448	3.1
65.03937	3.1
67.05506	35.9
67.06076	3.2
69.03428	12.7
69.07075	20.4
70.03117	9.6
76.69650	2.9
79.05507	31.0
81.03414	4.0
81.07064	41.7
83.04969	10.8
83.08617	12.0
85.06546	4.2
88.11543	2.9
89.06034	7.0
91.05492	58.6
93.07054	72.0
95.04964	15.3
95.08618	47.9
95.51214	3.2
97.06556	3.9
103.05459	7.5
105.07040	85.7
107.05010	5.0
107.08600	56.6
109.06523	12.9
109.10188	27.0
111.08067	5.6
115.05434	11.3
117.07044	19.1
119.06076	2.9
119.08594	100.0
121.06509	7.7
121.09320	3.4
121.10162	48.2
123.08067	16.5
123.11714	5.1
124.16788	2.7
125.09659	2.7
128.06215	17.9
129.07018	24.0
130.07791	4.8
131.08598	37.8
132.09409	3.3
132.96265	2.7
133.06573	4.6
133.08601	6.8
133.10146	50.4
135.08064	13.2
135.11714	21.0
137.09633	16.4
141.06982	14.5
142.07785	29.9
143.08560	56.6
144.09343	9.0
145.10144	61.1
147.08067	19.0
147.11720	18.4
149.09607	10.2
149.13269	3.7
151.07561	14.1
153.07060	4.0
154.07785	5.4
155.08572	20.6
156.09386	17.9
157.10146	57.5
158.10902	8.3
159.08084	7.3
159.11693	31.2
160.08888	3.3
161.09644	9.8
161.13277	7.5
163.11200	9.5
165.07007	9.4
165.09152	30.4
166.07722	7.0
167.08574	11.6
167.10692	12.7
168.09375	8.9
169.10127	33.4
170.10861	9.8
171.11696	33.9
173.09587	6.3
173.13261	31.6
175.11241	5.7
175.14854	12.7
177.11201	3.5
179.08582	21.2
180.09396	10.2
181.10107	18.3
181.12334	6.1
182.10895	11.3
183.11726	29.4
184.12453	8.3
185.13295	20.0
187.11203	3.6
187.14795	9.6
189.12704	3.2
191.14326	7.1
192.09367	8.1
193.10127	15.1
194.10933	17.1
195.11763	22.2
196.12384	9.9
197.13286	24.5
199.14896	21.9
201.16434	4.1
203.14342	16.6
205.10179	4.5
206.10918	11.8
207.11731	21.5
207.13724	7.3
208.12480	8.9
209.13287	34.9
209.15230	4.2
211.14882	15.8
213.16418	4.2
217.10316	6.1
217.15906	12.9
219.11726	9.2
220.12488	9.1
221.13255	22.6
221.15402	69.1
223.14882	15.9
224.15643	3.6
225.16426	6.0
227.14331	5.3
229.10347	3.2
230.11032	3.3
231.11676	8.6
232.12427	6.1
233.13278	8.5
233.15370	6.1
234.14047	5.4
235.14833	12.4
236.15509	3.2
237.16423	9.9
239.18018	4.4
244.12526	4.3
245.13208	9.2
246.14015	5.1
247.14769	10.9
247.17024	6.9
248.15611	4.0
249.16499	13.9
251.17986	5.5
257.18945	10.9
258.14017	5.4
259.14847	6.5
260.15607	4.6
261.16370	9.1
262.17032	4.3
263.18033	8.5
265.19550	4.7
269.18988	4.7
273.16354	4.8
274.17136	3.7
275.18027	14.5
277.19482	3.6
283.20578	18.3
287.17657	3.4
288.18692	3.5
289.19647	4.2
295.20758	4.5
297.22266	3.7
299.20203	3.8
309.15942	3.5
312.20764	4.1
315.20648	4.4
317.22464	3.4
329.22543	3.3
331.24167	7.3
349.25287	9.1
357.25916	3.1
373.25186	4.2
375.26642	3.6
473.34082	4.3
491.34918	9.9
506.75854	3.1
565.40387	16.1
583.41461	88.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.8
53.03952	4.4
55.05518	17.3
57.07085	12.7
59.04998	2.3
65.03958	4.1
67.05517	20.7
69.03433	8.0
69.07078	16.7
69.30023	5.1
69.30415	17.5
79.05499	33.5
81.03452	2.6
81.07067	32.5
81.63689	1.8
83.04982	9.2
83.08624	7.7
84.66978	1.8
85.06554	7.4
91.05483	50.7
93.07059	53.5
95.04968	9.3
95.08614	34.2
97.06529	6.1
103.05508	3.2
105.07038	71.5
107.04967	2.3
107.08598	47.7
108.28156	2.1
109.06536	6.8
109.10154	23.6
111.08142	3.2
115.05453	3.8
116.06255	2.9
117.07021	17.7
119.08599	80.2
119.09464	3.9
121.06541	5.4
121.10163	49.8
123.08057	19.7
123.11754	6.5
128.06197	11.0
129.07033	16.7
130.07813	7.3
131.08588	31.6
133.10138	42.0
135.08087	8.4
135.11719	13.0
137.09622	10.5
139.11208	3.3
141.06970	9.9
142.07803	25.9
143.08580	40.7
144.09372	7.3
145.06497	3.8
145.10143	53.8
147.08086	16.0
147.11700	18.5
149.09642	8.1
149.13312	4.5
151.07565	16.0
153.07047	5.7
154.07785	3.9
155.08568	18.3
156.09396	22.0
156.50084	1.8
157.10143	53.8
158.10918	5.6
159.08051	6.0
159.11702	30.3
161.09654	5.7
161.13229	7.5
163.11214	8.4
165.06987	7.0
165.09157	27.4
166.07820	2.9
167.08585	8.5
167.10695	17.8
168.09392	8.8
169.10149	26.5
170.10957	9.7
171.11714	32.4
172.12553	2.5
173.09689	4.4
173.13251	21.8
175.11206	6.1
175.14832	12.4
179.08569	14.7
180.09351	5.7
181.10139	18.0
181.12270	4.9
182.10977	7.5
183.11717	26.5
184.12527	5.5
185.13263	18.4
187.11258	3.4
187.14859	7.6
189.12799	8.7
191.08566	2.1
191.14362	5.0
192.09377	5.8
193.10187	14.0
194.10930	13.8
195.11745	22.7
196.12506	5.1
197.13300	22.5
199.11324	2.7
199.14824	14.6
201.12955	2.2
201.16452	4.4
203.14301	14.3
205.10190	6.1
206.10939	4.9
207.11765	23.3
207.13858	9.9
208.12508	7.0
209.13289	31.6
209.15295	2.7
210.13991	4.7
211.11302	2.7
211.14815	13.2
213.12750	3.5
213.16547	3.3
215.14407	3.2
217.10304	3.5
217.15892	10.5
218.10989	4.0
219.11697	10.2
220.12476	6.4
221.13312	19.9
221.15443	56.5
222.13969	5.4
223.14836	14.7
224.15762	2.8
225.12723	2.5
225.16316	4.8
227.14262	2.4
227.17989	2.7
229.16068	3.3
231.11734	6.9
232.12540	5.1
233.13274	10.5
233.15486	7.6
234.13968	4.6
235.14893	12.8
236.15686	3.0
237.16502	6.8
239.18031	4.2
241.16051	2.2
243.11780	3.8
244.12508	2.7
245.13341	6.6
246.14119	3.6
247.14729	11.5
247.17152	3.0
248.15616	3.7
249.16408	10.3
250.17046	2.1
251.17929	11.1
257.19086	9.3
258.14212	3.3
259.14914	6.3
260.15652	4.6
261.16504	7.9
263.17996	6.6
265.19672	5.7
267.17465	2.2
269.19098	6.4
273.16534	4.0
274.17062	2.3
275.17767	11.3
277.19617	5.7
279.20990	2.2
281.19189	3.3
283.20581	13.1
287.17819	2.8
288.18521	2.5
289.19519	4.3
291.21085	2.3
293.18991	2.8
295.20621	4.7
297.22229	5.0
299.17838	2.8
307.20627	3.7
321.22034	2.6
331.24207	2.8
333.22220	3.6
335.23990	2.6
347.23859	3.5
349.25421	6.9
361.25366	4.4
375.26865	7.6
389.99542	2.0
403.30023	6.9
491.34647	4.0
503.35352	4.3
503.65509	2.3
547.39667	3.5
554.03442	2.9
565.40350	26.1
583.41486	100.0
584.41901	4.6
586.81207	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.5
53.03941	3.4
55.01868	1.9
55.05511	15.3
57.07076	10.9
59.04995	4.5
65.03939	4.3
67.05170	1.4
67.05510	25.0
69.03426	7.7
69.07068	18.0
70.15311	1.7
70.15714	3.2
71.05005	1.4
72.39395	1.0
77.03952	1.9
78.83293	0.9
79.05498	26.5
81.03412	1.9
81.07059	32.0
83.04993	9.1
83.08628	9.1
85.06548	7.3
87.04432	0.9
91.05485	46.8
93.07051	56.5
95.04977	12.9
95.08612	37.5
97.06528	6.1
97.10168	2.9
98.20786	0.9
103.05457	4.8
105.04546	2.5
105.07037	73.4
107.04975	1.7
107.08601	49.1
109.06519	10.0
109.10160	20.9
111.08089	2.7
113.09622	1.0
115.05457	4.8
116.06245	1.9
117.07024	17.4
119.08590	81.9
121.06506	5.3
121.10154	43.1
123.08074	19.2
123.11722	4.8
125.05944	2.3
125.09633	2.7
128.06224	10.4
129.07013	19.9
130.07817	8.1
131.08583	31.0
133.06525	4.1
133.07428	1.0
133.10138	40.1
135.08075	11.4
135.11697	13.6
137.09618	13.0
137.13354	1.0
139.11215	2.6
141.07001	9.9
142.07784	24.5
143.08574	38.9
143.09691	2.2
144.09366	7.5
145.06514	1.4
145.10129	47.4
146.10588	1.1
147.08057	19.3
147.11723	13.2
149.09639	8.1
149.13254	3.8
151.07552	16.4
151.11139	1.8
153.07002	5.8
153.09077	1.0
154.07796	3.9
155.08563	19.0
155.10559	1.3
156.09364	17.6
157.10141	54.0
158.10950	8.3
159.08078	3.7
159.11708	27.7
161.09624	6.5
161.13283	8.6
163.11180	6.6
165.07047	6.0
165.09123	32.6
166.07790	3.1
167.08580	12.2
167.10666	12.1
168.09351	9.4
169.10133	28.8
170.10909	8.3
171.08102	1.2
171.11702	32.9
172.12480	2.4
173.09700	3.7
173.13277	22.8
174.10260	1.1
175.11252	3.8
175.14822	8.1
177.09151	1.9
177.12770	1.3
178.07732	2.4
179.08554	19.5
180.09326	5.9
181.10136	17.1
181.12248	8.3
182.10912	7.6
183.08115	1.1
183.11703	26.5
184.12498	5.0
185.09651	2.2
185.13278	19.3
185.14848	1.5
187.11192	3.1
187.14835	6.6
189.12701	8.1
191.08611	2.3
191.14308	5.7
192.09409	5.8
193.10158	16.0
194.10919	10.2
195.11722	21.7
195.13564	1.2
196.12512	7.9
197.09616	1.8
197.13264	19.8
198.14026	1.9
199.11150	2.1
199.14845	15.8
201.12839	1.7
201.16432	3.4
203.08717	1.4
203.14311	17.3
205.10088	4.9
205.15770	1.2
206.10942	8.0
207.11734	21.0
207.13837	8.5
208.12502	8.5
209.13284	25.7
209.15285	2.1
210.14067	4.6
211.11290	1.4
211.14851	12.4
212.15517	1.2
213.12749	2.0
213.16411	4.0
215.14398	3.3
216.09360	1.2
217.10178	3.7
217.15897	9.5
218.10918	4.3
219.11659	8.6
219.13576	1.4
220.12495	6.6
221.13290	15.9
221.15422	66.5
222.13995	3.5
223.11305	1.7
223.14836	16.2
224.15523	3.7
225.12819	2.2
225.16470	5.8
227.14392	2.6
229.10153	2.0
229.15916	2.3
230.10843	2.2
231.11676	6.1
231.17513	3.9
232.12517	4.4
233.13286	12.1
233.15443	5.8
234.13986	5.0
235.14847	10.6
236.15483	1.7
237.12810	1.4
237.16464	7.0
239.14334	1.4
239.17981	4.9
241.16039	1.7
241.19519	1.1
243.11700	2.3
244.12531	3.1
245.13232	7.4
246.14023	5.8
247.14864	10.7
247.17055	2.5
248.15587	3.7
249.16393	10.5
250.17148	2.1
251.14124	1.1
251.17990	4.9
252.18602	1.2
253.15768	1.7
253.19554	2.1
255.17416	1.6
257.13260	2.8
257.19055	5.6
258.14011	2.7
259.14725	7.3
260.15628	5.0
261.16425	8.8
262.17120	2.2
263.15140	1.5
263.18033	6.5
265.14313	2.0
265.19525	8.0
265.25351	2.7
267.17529	2.1
269.13208	1.5
269.19113	4.0
271.14810	2.0
271.20700	2.8
272.15692	1.6
273.16199	4.5
274.17264	2.2
275.17892	9.8
275.20444	0.9
276.18491	1.3
277.19562	4.0
279.17648	1.0
279.21140	2.2
281.18881	3.2
283.14771	1.4
283.20529	13.5
285.16315	1.8
287.17593	2.0
287.20187	3.3
288.18710	1.6
289.19547	3.3
290.20340	1.2
291.17526	1.6
291.20963	2.1
293.19144	2.6
295.20599	4.2
297.22153	5.8
299.17618	1.6
299.20453	1.3
300.20886	3.0
301.19449	3.1
303.21054	1.9
307.20624	2.3
309.22171	1.3
315.21078	2.5
317.22675	1.8
319.20551	1.9
323.23898	1.4
327.20923	1.8
329.22641	2.1
331.24274	6.1
333.22232	2.0
335.23700	1.7
339.29312	2.0
343.24197	1.8
347.23892	2.3
349.25220	5.7
352.23969	2.7
355.24261	1.6
357.25662	2.0
361.25342	2.4
365.24896	3.9
375.26978	8.5
377.24841	1.7
379.26929	1.0
385.29004	1.8
397.25470	1.1
403.30060	9.1
411.26474	1.1
413.28662	1.0
427.29858	1.1
437.30750	1.3
469.29968	1.0
477.33130	1.3
491.35159	6.6
503.35504	4.6
509.34338	1.9
525.52338	1.0
527.35284	1.1
547.39404	3.4
565.40442	23.8
568.38501	1.0
583.41486	100.0
584.41962	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
55.01866	2.9
55.05518	21.6
56.61985	1.5
56.69630	1.3
57.03439	2.7
57.07064	6.4
67.05515	15.3
68.30929	1.6
68.99782	6.1
69.03413	2.4
69.07076	24.9
69.30467	15.0
71.04961	1.7
71.08624	3.5
79.05492	12.9
81.03418	1.9
81.07063	18.5
83.04970	4.5
83.08624	20.3
84.99281	1.4
85.02870	1.4
85.06542	2.7
91.05481	6.6
93.07043	20.0
95.04958	3.4
95.08606	18.4
97.06525	7.6
97.10163	9.3
98.20709	3.3
105.07024	8.1
107.04980	2.4
107.08591	17.0
109.06532	2.3
109.10133	7.7
109.65104	1.6
111.00806	26.3
111.04456	7.3
111.08064	6.5
117.07000	3.1
119.08573	9.6
121.06477	3.0
121.10145	14.8
123.08088	1.8
123.11678	1.7
125.06013	3.1
125.09624	5.9
127.03919	12.2
129.06961	2.1
131.08549	7.5
133.10129	4.2
135.08054	5.4
135.11691	7.5
137.09612	1.7
139.03909	19.6
139.07544	2.6
141.06961	1.7
142.99171	1.5
143.08568	3.7
145.10139	5.7
147.11690	3.8
149.09668	1.7
149.13263	4.3
153.09154	2.6
157.10144	3.6
159.11670	4.0
161.13257	1.6
163.07468	1.5
163.14868	7.7
167.07014	3.3
167.10670	3.2
169.10172	2.0
171.10316	2.1
171.11725	3.0
173.13248	2.7
177.16367	3.0
181.08606	4.1
181.10120	1.8
181.15846	1.7
183.11772	2.1
187.14803	3.6
191.14325	3.8
195.10146	4.3
195.17455	2.0
197.13121	2.3
205.15858	2.3
209.11649	2.9
209.15414	9.4
221.15372	1.9
223.16954	3.6
227.16356	3.2
236.70956	1.5
251.16452	37.3
255.19456	2.9
265.15118	2.6
265.17960	20.3
269.21124	4.2
273.20596	9.4
279.15927	100.0
287.22223	16.7
293.17490	61.7
297.16873	3.2
353.19629	12.3
367.21005	4.4
491.34464	8.6
547.35339	2.2
565.37335	27.8
571.05383	1.7
583.24725	2.0
583.40619	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	583.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.5
54.42324	3.8
55.05511	19.6
57.07074	9.8
65.03931	4.1
65.65501	3.5
66.41119	3.4
67.05502	29.3
69.03417	4.3
69.07071	19.7
69.37919	30.7
79.05494	29.1
81.03368	3.8
81.07063	31.8
83.04993	8.7
83.08620	14.5
85.06557	8.0
91.05476	37.7
93.07055	50.3
95.04953	10.5
95.08611	42.3
97.06528	9.0
97.10162	3.7
98.21550	6.2
103.05486	7.6
105.07042	52.7
107.08600	32.9
109.06506	10.6
109.10180	21.3
116.79757	4.4
117.07024	12.7
119.08594	61.7
121.06521	6.2
121.10141	46.7
123.08078	14.5
123.11678	5.9
128.06261	7.6
128.41161	4.4
129.07011	12.4
130.07834	5.1
131.08578	26.8
133.10138	43.7
135.08061	7.9
135.11665	17.6
137.09630	10.2
141.07007	10.0
142.07797	15.4
143.08580	33.7
144.09361	9.1
145.10115	49.5
147.08020	7.4
147.11676	9.7
149.09592	6.6
149.13171	4.6
151.07558	5.7
152.48053	3.5
155.08562	14.2
155.10629	4.3
156.09364	12.5
157.10136	45.4
158.10867	5.1
159.08159	4.8
159.11749	17.9
161.09589	6.2
161.13229	6.4
163.11218	4.3
165.09174	10.4
167.08525	10.7
167.10744	32.0
169.10162	16.3
171.11713	22.9
173.13284	13.8
175.11230	5.4
175.14833	11.8
179.08549	10.9
180.09421	3.7
180.49884	3.4
181.10173	12.3
182.10925	4.5
183.11719	13.2
184.12418	4.1
185.13316	14.6
187.14822	6.8
189.12761	5.4
191.14316	4.5
193.10138	12.7
194.10909	10.3
195.11711	19.6
196.12418	6.1
197.13310	22.1
199.11169	5.4
199.14809	9.8
201.12799	4.9
201.16422	7.0
203.14284	3.8
204.09575	4.6
206.10881	5.6
207.11681	18.4
207.13704	8.0
208.12436	4.4
209.13383	24.4
211.14844	11.5
213.16402	4.4
217.15945	6.1
219.11708	5.5
221.13277	18.6
221.15421	20.9
222.13869	5.4
223.14890	8.9
233.15355	13.1
235.14780	11.7
237.16411	7.1
245.13307	8.9
246.14046	5.4
249.16380	4.6
261.16467	7.6
265.19238	4.2
269.18927	4.6
271.20663	4.1
275.17719	5.9
277.19540	4.6
279.16150	6.4
283.14343	4.5
283.20572	9.2
289.14926	4.2
305.86841	4.2
327.21286	5.0
335.23599	4.1
349.25104	4.8
375.26663	4.3
491.34451	5.8
547.39868	4.3
565.40381	24.4
583.32489	6.5
583.41486	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.8
58.53383	0.6
67.05507	1.4
69.07079	0.7
79.05505	1.3
81.07061	1.9
83.01100	0.8
83.08628	0.7
86.31744	0.6
93.07014	1.0
95.01070	0.6
95.08623	1.7
97.02882	0.7
97.38412	0.6
105.07051	0.9
107.08604	0.6
113.02148	0.6
119.08568	0.7
127.03904	0.7
137.59932	0.6
151.74254	0.6
156.04005	0.7
163.04045	1.3
199.03917	1.3
203.39835	0.6
275.07474	2.6
277.09100	0.6
299.42609	0.6
337.19913	0.9
344.48004	0.6
419.27600	4.0
435.07339	1.2
499.25394	4.1
581.33044	100.0
582.33398	2.4
609.58612	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99259	3.4
53.03936	10.7
55.01861	10.1
55.05497	13.4
56.73005	3.7
57.03434	7.0
67.05509	31.7
69.03426	24.5
69.07049	5.3
69.32712	15.6
69.33137	16.1
72.85815	3.2
73.02907	4.3
78.68729	3.4
79.05496	37.1
80.05556	3.5
81.03412	25.7
81.07069	29.6
82.97862	3.5
83.05015	3.8
83.08604	5.1
85.02907	49.1
85.06496	3.3
87.00827	18.4
89.30691	3.5
91.05473	25.7
93.07050	69.3
95.04956	7.7
95.08614	69.2
97.02885	24.0
99.04417	5.8
105.01885	17.9
105.07046	26.1
107.08595	23.4
109.02879	21.3
109.06528	9.1
109.10156	45.9
111.08060	11.6
117.07037	7.4
119.08578	23.6
121.06450	4.9
121.10148	48.9
123.08109	4.5
123.11716	8.2
127.03928	42.6
129.06972	13.3
131.08577	13.1
133.06418	3.7
133.10127	16.0
135.11697	10.9
137.09613	96.0
139.07474	5.9
142.07750	5.2
143.08546	13.9
145.04976	13.5
145.10094	17.1
147.11674	12.1
149.09599	11.8
149.13251	7.3
151.11157	4.8
155.08571	5.2
157.10106	14.9
159.02910	10.4
159.11728	13.1
161.09656	6.0
161.13249	11.2
163.03841	4.7
163.11188	4.4
165.09135	38.2
169.10168	10.5
171.11714	13.4
173.13243	8.5
175.11172	10.3
181.10045	3.8
183.11700	7.4
185.13258	12.1
189.12813	4.8
191.10666	4.3
195.10139	4.7
195.11838	7.6
199.03914	6.8
199.14801	8.7
209.13272	15.2
213.12692	7.0
223.14883	7.1
225.16399	4.2
227.17871	4.0
231.05014	10.2
241.19530	65.5
251.17970	25.7
253.19423	5.4
269.19046	62.2
287.20081	37.4
297.18558	29.6
299.19934	4.5
315.19574	100.0
317.21045	7.3
333.14954	6.1
333.15982	5.5
333.20587	92.7
435.07260	9.2
535.25299	5.1
554.08380	4.3
581.32629	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	580.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.7
55.01871	7.7
55.05518	29.0
56.49481	3.9
57.03447	18.3
59.05000	3.8
67.05509	57.5
69.07067	28.6
71.05000	7.0
71.08652	6.4
71.56522	4.1
71.56973	6.4
79.05507	29.5
81.03417	9.4
81.07059	65.0
83.01351	7.5
83.04973	13.3
83.08619	25.6
91.05483	25.7
93.07048	33.3
95.04955	5.6
95.08616	43.3
97.10166	7.9
105.07034	13.4
107.04986	4.3
107.08601	15.7
109.06559	6.2
109.10149	13.1
117.07014	7.8
119.08591	10.3
121.06528	4.4
121.10145	11.2
123.08044	4.8
123.11733	10.1
133.10121	7.0
135.11696	12.5
145.10138	17.7
147.11768	6.1
163.11185	14.6
163.14880	5.3
173.09523	5.3
187.41600	4.1
209.11682	10.2
212.19426	3.6
227.12857	7.6
236.90579	4.4
263.23746	5.2
283.15393	100.0
337.27386	98.4
399.81253	3.8
429.62149	4.0
545.38306	59.1
567.97418	3.7
580.38300	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	581.1501
Annotation	Kaempferol 3-vicianoside
Peak:m/z	Relative Intensity
55.01862	0.9
57.03439	2.4
61.02915	1.6
69.03445	2.8
69.70986	2.3
71.01344	0.4
73.02921	7.8
81.03397	1.0
81.35794	0.4
85.02904	6.8
85.95193	0.3
97.02908	4.5
99.04432	0.5
105.03348	0.4
105.85151	0.4
109.02869	0.4
111.00803	0.6
115.03923	2.3
121.02845	2.3
127.03914	1.3
133.02867	0.6
133.04994	1.7
137.02396	0.5
145.04936	2.4
147.04373	0.6
153.01830	3.3
165.01904	1.7
183.02864	0.8
185.06065	0.5
213.05467	1.3
231.06549	0.8
241.05017	0.4
258.05301	0.8
259.06271	0.6
287.05515	100.0
288.05942	1.0
329.06439	0.7
381.65491	0.3
449.11279	0.5
491.28973	1.2
590.20087	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1869
Annotation	Naringin chalcone
Peak:m/z	Relative Intensity
53.03950	2.6
53.47665	2.0
55.51606	1.6
57.03437	9.1
64.80521	1.5
67.30994	1.7
68.99799	1.9
69.03433	8.3
71.04998	50.6
71.16077	3.6
75.04490	2.8
81.07041	1.6
83.04981	2.6
85.02913	65.0
87.04463	2.2
91.05493	3.2
95.04968	2.5
97.02932	2.0
107.04978	3.4
111.04455	3.3
119.04964	7.4
120.05954	1.8
121.02889	3.1
122.09662	1.9
123.04445	4.2
129.05484	14.0
135.04439	4.0
135.23801	1.9
147.04399	25.2
147.06502	3.4
153.01836	42.2
153.02991	3.1
163.03946	3.4
165.01825	9.8
171.02921	13.5
177.01796	2.6
183.02887	6.1
191.03424	6.7
195.02916	43.6
195.04634	3.1
203.03375	3.9
217.04895	2.1
219.02899	15.0
231.02887	5.9
245.04430	5.1
255.06215	1.8
261.04004	5.0
263.05420	9.2
271.05975	2.7
273.07590	100.0
279.05136	2.2
283.06393	1.9
285.07535	8.7
297.07474	3.9
303.04861	2.1
312.18027	1.7
315.08563	12.3
339.08713	16.1
351.08856	4.0
365.10315	4.3
369.09503	2.5
381.09543	5.3
383.11246	4.8
399.10709	5.3
401.12537	2.6
417.11664	4.9
419.13409	2.6
435.12888	4.7
528.00922	1.9
581.25830	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	580.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.3
55.05513	23.2
67.05491	6.8
69.03435	4.2
69.07063	12.0
69.46684	2.2
71.04990	2.5
71.56448	2.7
73.46696	2.0
75.84251	2.0
79.05498	8.5
80.29449	2.1
81.07063	31.7
83.08619	3.3
84.08147	6.1
85.02915	7.6
85.06537	6.1
87.13628	2.1
89.54793	2.4
91.05460	6.5
93.07043	26.3
95.04979	2.9
95.08614	20.7
97.06544	3.3
97.09552	2.3
97.10176	47.6
99.04443	3.1
105.07037	11.7
106.89791	2.1
107.04966	2.6
107.08604	22.5
109.06535	5.0
109.10185	14.3
113.09638	2.1
117.07056	2.1
119.08572	19.6
120.08103	7.2
121.09317	3.3
121.10153	51.3
122.09683	14.3
123.08076	10.0
123.11714	6.3
125.09635	20.0
127.07560	3.8
131.08589	3.7
133.10159	10.9
135.08073	4.1
135.11700	26.6
141.09167	3.9
143.10693	5.5
145.05051	2.7
145.10138	11.7
147.04425	4.5
147.11696	9.8
149.09673	4.7
149.13277	8.1
151.07515	4.4
151.11182	14.3
153.09177	2.6
157.10077	2.6
159.11755	12.8
161.13312	4.1
163.11171	16.4
164.07059	4.5
166.08675	8.0
167.10725	2.6
171.11725	2.5
173.13266	3.1
175.11215	4.0
176.10658	5.3
177.12779	14.2
179.10687	3.2
181.12250	50.9
182.38745	2.1
187.11139	2.4
187.14801	5.4
190.08614	20.1
193.12177	2.4
195.13821	21.0
199.13260	16.7
199.14668	1.9
204.10184	20.3
205.12157	2.9
213.14903	4.8
254.24699	3.2
264.68741	2.5
283.20605	4.6
292.13394	2.4
293.19009	2.5
301.21606	19.1
303.23141	6.4
311.20032	6.5
319.22574	14.1
329.21091	24.6
337.15460	3.2
337.23566	5.4
347.22211	36.9
347.26352	1.8
365.23215	100.0
383.24289	4.8
397.17618	4.2
415.18692	5.5
435.07202	3.9
518.26111	2.9
536.27631	3.5
544.24286	5.3
562.25452	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	580.333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.4
57.03439	10.6
57.07075	8.8
61.02961	1.2
67.05502	3.6
69.03422	3.6
69.07066	1.6
71.04996	67.9
71.57388	1.7
73.02903	2.7
75.04472	4.4
81.03436	1.6
81.07063	4.0
83.04984	13.9
83.08638	1.3
85.02908	100.0
85.06544	14.2
87.04472	2.1
93.07065	1.8
95.08596	3.4
95.98001	1.3
97.02905	5.6
98.09710	6.1
99.04482	2.0
101.06019	1.5
103.04962	1.2
107.08562	1.9
107.95484	1.2
109.02908	1.4
109.10169	5.7
111.04462	14.0
116.10732	2.0
119.08517	1.2
127.03934	5.7
127.45372	1.1
129.05482	47.8
135.11719	3.1
145.04999	2.0
147.04483	1.5
147.06538	17.5
149.13220	1.3
162.07649	1.8
164.09172	7.1
180.08670	2.8
191.17908	2.4
196.17033	2.9
209.19003	31.8
214.00304	1.4
237.18504	1.8
255.08751	1.8
255.19553	11.5
267.56790	1.3
273.09848	2.1
326.14410	3.1
368.18365	6.4
383.24225	1.3
408.31061	2.0
500.58383	1.3
580.27216	1.4
581.32916	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	8.4
56.05054	2.7
67.05503	2.7
68.05035	1.5
69.07069	8.4
70.06585	3.7
70.96471	2.0
71.08636	8.9
72.08175	1.6
79.05491	2.6
81.07067	7.7
82.06570	2.0
83.07373	3.7
83.08628	3.1
84.08131	1.0
86.06070	8.6
93.07048	2.7
95.08639	2.4
96.08116	7.6
97.06520	1.8
98.06026	1.9
98.09702	100.0
99.08126	5.4
107.08590	1.7
108.08103	1.3
109.10196	1.5
111.08078	2.0
115.70590	1.0
116.10739	54.1
122.09673	2.6
124.07563	2.4
124.99989	2.6
129.48584	1.2
135.11699	1.4
135.91994	1.2
142.12288	3.5
143.10727	2.1
149.13295	6.0
154.94328	1.1
166.16022	1.2
167.14357	2.5
172.39247	1.1
173.11781	7.6
178.15939	4.6
196.07370	20.1
196.16989	45.2
214.18031	24.3
231.15910	4.3
238.18170	1.1
239.87424	1.2
252.10071	7.6
269.17435	1.2
270.11029	20.5
287.18552	12.9
292.22787	3.0
294.14700	6.3
310.23813	9.8
328.24866	4.2
350.17252	10.0
368.18353	94.0
390.30087	2.1
392.90009	1.2
408.21906	2.2
408.31131	19.2
464.24030	5.7
482.25186	23.7
580.32434	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
55.05519	6.7
56.05038	1.7
57.03437	2.0
57.07071	1.3
67.05510	3.1
68.05048	1.0
69.07073	7.3
70.06580	2.9
70.63147	2.0
70.63506	1.3
71.08643	9.9
72.08157	1.3
73.01166	0.9
79.05497	3.4
81.07062	7.5
82.06606	1.9
82.89119	0.8
83.07372	3.7
83.08652	4.7
86.06076	9.4
86.30460	0.8
93.07056	2.8
95.08623	3.4
96.08149	6.8
97.06564	1.5
97.10224	1.1
98.06102	1.5
98.09702	100.0
99.08108	5.5
99.10049	1.1
105.82642	0.7
107.08612	2.5
108.08131	0.8
109.10173	1.9
111.08093	1.5
116.10747	44.2
119.08582	1.1
121.10135	1.0
122.09666	2.4
124.07628	2.6
125.00002	2.3
126.09126	1.0
133.10121	0.9
135.10480	0.8
138.09087	0.8
142.12224	3.8
143.10753	2.1
149.13310	5.1
167.14365	1.2
173.11719	6.6
178.06195	1.0
178.15900	3.1
182.59628	0.8
195.13768	1.0
196.07355	18.1
196.15205	1.9
196.16985	31.6
206.74525	0.8
214.18053	16.3
214.19977	1.4
231.15921	3.8
238.17967	1.9
252.09988	6.1
269.17471	1.4
270.11035	18.6
270.13797	1.6
287.18549	9.2
292.22772	3.1
294.14630	5.0
310.23776	11.0
328.24936	3.7
340.28427	0.9
350.17145	7.5
368.18372	74.6
390.29974	1.6
408.21906	1.6
408.31122	21.5
446.23373	0.9
464.24237	6.0
482.25137	22.4
580.32202	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1714
Annotation	RHOIFOLIN
Peak:m/z	Relative Intensity
62.44888	0.1
67.01870	0.4
68.99815	0.3
69.03446	0.2
71.04992	0.5
71.56078	0.2
71.56454	0.2
75.73737	0.1
85.02908	1.3
87.99712	0.1
91.05479	0.3
102.29992	0.1
105.07063	0.1
119.04956	1.8
121.02877	0.6
129.05511	0.3
138.09143	0.1
145.02853	0.6
153.01846	4.3
163.03911	0.4
163.11148	0.1
171.02936	0.8
176.12115	0.1
187.03871	0.2
222.46925	0.2
225.05496	0.3
229.04936	0.4
229.98988	0.1
241.12975	0.1
243.06560	0.3
271.06033	100.0
272.06329	1.4
287.05554	0.3
433.11362	0.4
579.27606	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.3
55.01872	4.5
55.05504	3.8
57.03452	9.9
61.02915	4.4
64.24451	1.9
67.05489	3.4
68.99805	3.7
69.03439	22.8
69.07077	8.7
69.63159	3.6
69.63566	10.1
71.01337	2.0
71.05001	32.2
73.02918	5.4
79.05502	2.9
81.03423	27.8
81.07069	4.9
83.04993	22.7
85.02914	100.0
87.00835	21.0
91.23673	2.0
93.07031	4.2
95.04964	4.1
95.08634	2.7
97.02896	19.8
99.04454	10.6
103.03953	7.3
105.01875	27.9
109.02895	28.0
109.06427	2.1
109.10136	2.8
111.04453	20.1
113.05964	3.1
123.04477	3.6
123.11745	5.9
125.02379	3.0
127.02986	2.9
127.03930	53.7
129.01933	4.9
129.05493	13.6
135.04459	4.3
139.03964	4.7
145.04982	14.7
147.02925	5.7
147.06560	3.7
149.06128	3.0
151.03911	3.3
151.11194	8.8
153.05533	2.3
159.02899	9.0
171.06554	2.4
181.05020	3.2
189.03984	13.4
191.06961	3.7
213.04001	8.1
213.07674	3.1
231.05087	12.0
231.08542	3.4
237.07651	15.1
249.06148	3.5
255.08621	9.8
273.06055	4.1
297.17233	2.5
315.10690	4.4
337.51031	2.3
341.08673	7.3
349.59113	2.2
359.09705	7.0
377.10770	2.9
388.39890	2.4
399.16681	2.6
580.21265	3.4
580.28979	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	579.1709
Annotation	Kaempferol 3-O-alpha-L-rhamnopyranosyl-(1->2)-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
55.83374	2.9
57.03434	11.9
65.72548	2.6
69.03435	8.7
70.03494	11.1
70.06584	2.6
71.04995	82.5
72.19983	2.2
73.02928	13.4
83.04979	9.4
84.08151	10.7
85.02906	79.5
91.60490	2.3
95.04919	4.1
99.04447	4.9
109.02853	5.1
110.25625	2.4
111.04449	6.0
117.05502	12.2
121.02883	9.9
125.54765	2.2
127.03960	3.0
129.05481	23.7
147.06602	6.2
153.01776	4.6
163.06024	12.0
165.01711	2.9
181.07587	3.5
183.67824	2.6
193.18254	2.5
203.84669	2.4
227.08167	11.2
255.07607	8.3
283.06079	3.4
287.05490	100.0
299.05463	17.7
300.06152	4.6
305.23639	2.6
311.05469	5.5
329.06592	35.5
353.06555	13.5
379.08020	10.4
381.10187	3.4
397.09213	27.2
399.11572	3.6
415.10052	10.4
433.11295	18.2
561.23987	3.1
592.89233	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	579.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30637	1.3
56.96568	21.3
57.22290	1.3
69.03410	1.5
71.55889	2.4
71.95229	1.4
75.33449	1.3
81.03403	1.6
84.96024	6.6
85.02902	2.5
91.05449	3.2
97.02892	1.9
98.97590	49.3
107.04993	2.2
109.02848	1.2
110.97565	17.6
112.07622	2.2
112.94593	1.1
112.99121	3.8
116.98631	25.1
117.03367	2.1
119.04936	8.1
128.98627	27.1
131.00185	6.1
134.99686	10.0
135.04446	2.6
140.98604	2.8
143.00204	7.3
144.98036	1.7
146.99643	16.7
147.04422	21.7
148.04771	1.7
149.01196	2.5
156.03333	2.2
158.99628	4.9
160.99077	8.9
161.01230	10.9
162.99188	1.9
163.03940	13.5
164.04324	1.6
170.99667	6.8
174.04356	3.5
177.00714	6.7
179.00169	40.2
179.02402	2.2
185.01241	1.5
186.04401	5.7
189.00728	8.5
193.01749	1.7
194.97484	5.4
197.01241	100.0
199.99942	2.2
201.00752	5.9
204.05406	2.7
207.01790	2.1
209.01192	1.8
211.02753	2.4
212.98515	5.1
213.00499	1.7
215.02264	20.4
218.99791	2.4
219.01765	47.8
220.02681	1.8
221.01183	3.2
225.00937	1.5
237.00674	11.5
237.02829	79.3
239.02304	4.8
242.03288	2.3
255.01770	11.2
255.03996	4.9
256.33759	1.4
257.01199	4.0
257.03491	1.8
260.04446	2.2
265.03815	2.4
272.98395	1.8
273.02850	8.4
275.02158	7.4
293.03235	2.8
305.03513	2.5
313.08270	1.7
323.04391	30.1
331.09723	1.3
333.02768	2.6
337.02048	1.5
339.01746	8.9
341.05481	30.3
348.07550	3.4
355.03162	2.1
359.06537	57.3
363.04013	1.5
366.08621	3.9
373.08231	2.2
377.07755	1.9
381.05042	4.3
382.08133	2.9
389.24307	1.4
399.05966	4.3
406.08264	2.0
417.05051	1.8
439.05338	4.5
503.08347	7.8
521.09680	95.2
522.10278	2.8
579.10168	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	579.15
Annotation	Robinetidinol(4alpha-6)catechin
Peak:m/z	Relative Intensity
53.03934	1.0
55.01868	1.6
65.03947	1.2
67.01874	0.6
68.99771	4.7
69.03430	0.9
71.56471	1.2
81.03403	2.8
82.99249	0.8
83.04995	0.8
83.65570	0.7
91.05504	0.8
95.04951	2.0
99.04454	1.1
103.05450	0.7
105.03398	1.0
106.57601	0.7
107.04957	3.1
109.02872	2.5
111.00816	2.2
111.04427	3.6
115.05493	1.0
117.03391	0.9
119.04984	1.6
121.02872	3.0
123.04436	42.3
127.03924	100.0
131.04895	1.5
135.03387	1.5
135.04417	28.2
137.02390	3.8
137.03288	0.8
139.03906	48.7
141.07034	1.1
143.04916	0.9
145.06531	0.8
147.04395	6.6
149.02339	4.3
149.05969	1.7
151.03925	9.4
157.06329	0.8
159.04416	3.9
161.06024	3.4
163.03914	31.8
165.05499	6.0
167.03419	8.7
173.06012	3.0
175.03941	3.3
177.05560	4.1
179.03423	4.0
181.04962	0.9
181.06487	0.9
183.04451	0.9
185.06032	1.6
187.03854	6.3
189.05458	2.0
191.03413	10.4
193.04985	5.7
197.06021	3.6
201.05446	6.4
203.03427	7.9
203.07053	2.0
205.05022	2.7
207.06642	1.2
213.05524	1.5
215.03329	1.9
215.07039	2.6
217.05035	2.5
225.05551	0.8
229.04932	8.3
231.06580	1.2
233.04482	4.7
243.06560	4.6
245.04413	5.3
247.06042	15.7
247.08469	1.4
251.05492	1.7
253.05199	0.9
255.06581	2.4
257.04486	7.6
259.06070	8.5
261.07654	1.0
269.04514	2.5
271.06015	16.9
271.08777	1.1
273.07681	1.6
275.05487	16.8
283.06058	6.7
287.05515	22.4
289.07065	12.5
291.08627	13.6
297.07617	1.1
299.05576	3.1
301.07111	12.7
303.08743	1.4
311.05420	1.2
357.06863	0.7
409.09204	20.3
409.14319	1.4
411.10657	1.7
417.12103	1.1
421.09540	0.9
427.10333	6.3
433.11462	1.4
439.10004	1.2
447.98923	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.0
55.01884	11.7
57.03434	5.5
59.01467	1.5
61.02921	6.4
68.99783	5.2
69.03437	27.0
69.46617	11.0
71.01368	2.3
71.04981	5.1
73.02921	9.9
73.85246	1.3
81.02973	2.3
81.03424	27.1
85.02913	58.1
87.00841	30.9
91.03957	2.3
91.05463	2.0
95.01318	11.6
97.02904	34.7
98.20779	3.0
99.04458	10.6
100.58522	1.5
103.03960	2.5
105.01883	28.9
109.02892	31.0
111.04435	2.7
115.05451	5.1
117.01847	4.3
119.04964	2.5
123.04429	3.9
127.03931	53.6
129.01840	3.7
129.07040	4.7
131.04935	2.1
135.04405	11.6
137.02364	2.5
139.03926	6.4
141.07028	2.1
143.04922	10.5
145.04971	22.2
145.06084	2.4
145.06505	2.1
145.13472	1.8
147.02881	2.5
147.04425	14.9
147.08078	1.7
149.05951	2.6
149.77739	1.9
157.06514	6.3
159.02914	16.9
161.06018	23.1
163.03923	55.4
165.05473	2.7
169.06522	2.9
171.04402	3.3
173.02365	1.7
173.06026	3.3
175.03934	5.6
175.07524	4.9
177.04050	1.8
177.05518	4.1
181.04984	2.8
185.06007	9.0
187.03839	4.1
187.07608	1.8
189.03900	3.1
189.05487	36.8
191.03418	5.2
191.07159	2.3
193.04988	19.9
196.67558	1.8
197.05986	2.6
199.03981	3.3
200.04771	1.7
201.05403	2.7
203.07068	6.4
205.05063	5.6
207.06511	6.6
209.04460	2.5
213.03983	2.5
213.05554	25.3
215.03467	2.7
215.07024	6.5
217.04979	22.1
229.05058	4.3
231.04900	9.6
231.06805	37.0
233.04543	3.2
235.06027	27.9
241.04965	13.2
247.06049	5.6
249.05911	3.5
259.06052	100.0
277.07111	54.4
295.08163	29.5
421.11148	2.2
507.11240	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	577.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	28.9
57.03431	12.5
59.15639	8.6
61.02928	19.8
67.05507	47.4
69.03442	23.6
69.07073	35.3
71.04991	20.1
71.56479	16.3
79.05498	37.0
81.03418	15.0
81.07060	100.0
83.04986	13.2
83.08629	16.9
83.35904	9.0
85.02919	42.9
91.03967	20.0
91.05450	27.0
93.05502	16.3
93.07058	77.0
95.04990	17.0
95.08598	72.3
97.02911	12.0
97.06544	18.0
99.08118	10.1
105.07037	48.0
107.08603	77.3
109.10149	50.9
111.08064	12.2
117.07073	14.1
119.08586	48.1
121.10159	40.3
122.09706	20.3
123.11677	17.1
125.09641	21.9
127.03916	12.4
127.07497	12.2
127.11198	16.0
131.08617	14.2
133.10138	33.4
135.08098	14.3
135.11697	43.5
136.96761	10.5
137.06058	12.1
137.09647	17.8
139.03951	10.6
139.11230	11.3
145.04958	11.7
145.10156	37.0
147.04387	16.0
147.11737	37.8
149.09651	13.4
149.13300	27.4
151.11153	15.7
159.11694	31.1
161.13319	25.6
165.09052	12.6
173.13284	15.4
201.16426	17.9
209.15373	12.8
213.16388	18.6
219.17494	10.7
269.22513	16.6
363.05350	11.1
373.57480	12.2
396.19193	13.7
440.21548	12.2
517.11145	23.6
577.13934	15.8
577.28192	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.8
57.03429	1.1
67.05508	2.3
69.03434	9.7
71.05011	6.9
71.56505	1.5
73.50500	1.0
81.03420	2.5
81.07077	1.7
83.04989	10.3
84.20185	1.0
85.02909	7.4
87.00835	3.1
95.04980	2.5
97.02901	5.5
97.06511	1.3
99.04449	1.1
101.73613	0.9
105.01900	1.0
107.04963	1.1
107.08595	0.9
109.02891	4.1
109.06532	4.1
109.10146	4.7
113.06020	19.1
119.64764	0.9
123.04423	1.4
123.11716	1.4
127.03938	6.4
133.10153	2.9
137.09625	13.1
141.05501	3.7
145.04999	1.1
147.02844	0.9
151.11194	2.3
173.73184	0.9
179.10706	6.8
197.11748	100.0
198.12186	1.6
247.01483	1.0
273.06207	1.1
291.46136	1.0
353.47293	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	28.9
57.03431	12.5
59.15639	8.6
61.02928	19.8
67.05507	47.4
69.03442	23.6
69.07073	35.3
71.04991	20.1
71.56479	16.3
79.05498	37.0
81.03418	15.0
81.07060	100.0
83.04986	13.2
83.08629	16.9
83.35904	9.0
85.02919	42.9
91.03967	20.0
91.05450	27.0
93.05502	16.3
93.07058	77.0
95.04990	17.0
95.08598	72.3
97.02911	12.0
97.06544	18.0
99.08118	10.1
105.07037	48.0
107.08603	77.3
109.10149	50.9
111.08064	12.2
117.07073	14.1
119.08586	48.1
121.10159	40.3
122.09706	20.3
123.11677	17.1
125.09641	21.9
127.03916	12.4
127.07497	12.2
127.11198	16.0
131.08617	14.2
133.10138	33.4
135.08098	14.3
135.11697	43.5
136.96761	10.5
137.06058	12.1
137.09647	17.8
139.03951	10.6
139.11230	11.3
145.04958	11.7
145.10156	37.0
147.04387	16.0
147.11737	37.8
149.09651	13.4
149.13300	27.4
151.11153	15.7
159.11694	31.1
161.13319	25.6
165.09052	12.6
173.13284	15.4
201.16426	17.9
209.15373	12.8
213.16388	18.6
219.17494	10.7
269.22513	16.6
363.05350	11.1
373.57480	12.2
396.19193	13.7
440.21548	12.2
517.11145	23.6
577.13934	15.8
577.28192	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	22.7
57.62440	7.0
61.02924	10.8
61.40061	6.8
62.05533	6.7
67.05506	29.1
69.07064	23.9
69.27717	16.0
69.28115	61.8
73.02879	9.3
73.67491	7.0
75.04452	8.6
78.60371	7.4
79.05495	15.8
81.07068	57.9
83.04981	26.7
83.08624	24.3
85.02911	18.9
86.09715	9.7
89.90722	6.9
91.03965	18.0
93.05525	22.1
93.07067	34.8
93.07555	6.6
95.08606	29.6
96.40204	6.4
97.02900	17.0
97.10253	7.7
98.20597	6.2
105.07030	27.6
106.70756	7.8
107.08592	33.4
109.06487	7.9
109.10165	54.7
119.08588	23.6
121.10171	37.0
123.11748	11.5
127.03911	14.6
127.07556	30.6
131.08591	11.0
133.10132	21.1
135.11734	20.7
145.04990	16.1
145.10115	20.9
147.11716	13.8
149.13310	17.8
159.11696	8.8
161.13287	17.7
163.05981	24.4
173.13249	10.6
175.14754	9.9
177.16444	8.7
184.07365	10.8
187.14825	20.6
205.15857	18.3
213.16406	14.2
213.57146	7.4
223.17102	6.8
225.10132	7.2
241.13374	21.8
242.13721	17.2
255.10739	13.3
269.22824	9.2
287.23828	21.7
301.15463	14.7
302.15851	10.7
336.17548	8.6
389.51126	7.8
391.18326	11.6
406.21194	12.6
407.21664	13.0
407.78192	7.2
451.51657	7.4
474.25613	8.6
517.10974	9.3
546.28119	39.7
576.28815	100.0
577.30414	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	577.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77003	1.3
56.96571	49.3
65.67476	1.3
68.56631	1.4
69.03435	2.3
69.78692	8.7
74.97605	1.6
81.03425	1.5
84.28014	1.5
84.96035	16.2
85.02919	2.5
89.03926	4.0
91.05478	5.4
96.99477	1.5
97.02893	7.1
97.24054	1.4
98.97591	96.2
107.24761	1.5
110.97570	26.8
112.99131	7.5
114.06249	1.7
116.98628	48.6
117.03387	2.8
119.01942	5.2
119.04945	13.3
123.04409	2.3
124.99139	2.1
126.23634	1.4
128.98622	35.3
131.00182	9.6
131.01909	4.0
134.99658	20.0
135.04425	9.0
135.05301	1.4
137.02325	12.1
140.00197	2.5
140.98589	2.2
142.58884	1.3
143.00148	13.0
144.98099	5.1
145.02753	3.1
145.03661	1.7
146.99678	24.2
147.04419	34.2
147.05513	2.6
149.01228	5.3
155.01949	2.8
157.03484	2.6
158.01405	2.0
158.99660	12.7
161.01244	31.1
162.99141	4.5
163.03906	37.1
164.04338	1.9
167.00305	1.7
170.99652	9.3
173.03055	3.7
177.00706	17.8
179.02325	9.4
185.01260	5.4
185.02914	2.6
187.04521	1.9
189.00732	10.5
192.98180	4.6
195.01424	18.6
197.01320	2.5
201.00687	12.4
203.02159	1.6
203.04042	1.8
207.05069	1.7
210.99191	10.4
213.00803	1.9
213.02498	10.1
213.04320	3.2
219.01764	65.9
221.01215	2.7
221.03033	31.9
223.02776	3.3
229.00249	35.8
231.01520	3.2
231.03450	11.1
237.00768	4.7
237.02818	100.0
239.02089	18.6
239.04161	5.9
242.03624	2.6
245.02962	3.3
247.01285	31.2
247.04607	4.5
249.02809	2.1
251.04317	2.8
255.03802	12.3
257.03116	15.2
257.05688	1.9
261.02475	3.7
263.04224	7.9
267.05566	2.0
269.05304	2.8
271.01297	4.1
271.04169	1.5
273.02521	3.1
277.05389	2.0
279.03638	5.8
281.05118	5.6
287.04211	2.9
289.00027	3.0
291.03506	6.2
295.01309	2.9
297.02872	5.2
299.03864	3.6
305.05014	4.6
307.01395	8.9
307.06439	2.3
309.04419	3.2
313.02441	3.0
317.04953	7.1
321.02271	2.7
323.06287	1.9
335.05966	2.4
337.02365	5.9
339.05734	37.2
347.06183	15.4
349.08078	2.0
355.03351	34.8
355.07126	2.2
357.06815	17.8
365.07297	29.4
373.04434	98.1
375.05392	2.6
380.08521	1.9
383.06775	12.0
387.05872	2.4
395.02545	2.0
396.05856	5.6
413.03979	6.8
423.06317	10.2
431.04831	2.5
441.08401	4.7
464.80621	2.0
501.07312	9.8
502.91287	1.9
517.76636	1.8
519.08063	76.1
537.08502	2.1
577.08643	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	575.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.9
55.01875	17.1
55.05514	40.5
57.03442	5.3
57.07073	3.4
59.04994	2.5
65.03924	4.5
67.05506	43.4
69.03422	4.8
69.07066	30.4
71.04988	5.3
71.08608	2.6
71.56355	3.1
71.56729	5.1
72.04984	2.8
79.05499	52.7
81.03411	8.1
81.07060	76.1
83.04989	13.4
83.08616	20.0
85.53280	2.8
91.05486	38.1
93.07048	31.7
94.49849	2.7
95.04953	17.4
95.08616	22.1
97.02914	3.8
97.06530	11.0
97.10202	24.9
105.07031	34.5
107.04965	14.5
107.08600	23.3
109.06523	19.9
109.10157	12.6
111.04461	13.6
111.08081	4.6
117.07043	11.2
119.04942	3.9
119.08582	18.7
121.06522	9.6
121.10134	8.6
123.04425	3.9
123.08082	6.4
123.11705	5.4
125.04507	2.9
125.06026	3.5
125.09653	19.5
127.03921	4.1
128.06238	5.5
129.06992	8.1
131.08577	19.5
133.06396	3.6
133.10175	16.1
135.08075	7.1
135.11682	8.1
137.09572	4.5
141.07053	3.8
143.08571	9.2
145.06511	7.0
145.10120	17.5
147.08066	5.1
147.11699	5.9
149.09595	9.7
149.13338	4.0
153.12801	4.8
155.08524	6.9
157.06514	3.0
157.10120	6.5
159.08076	6.6
159.11693	9.9
161.05956	4.3
161.09613	6.4
163.11201	10.5
169.10126	6.4
171.11703	7.0
173.09624	5.9
173.13252	5.9
175.11180	7.0
177.09103	10.4
181.12308	6.4
183.11670	4.9
185.09581	3.2
185.13297	5.7
187.11238	8.0
189.11215	11.1
189.12747	4.1
191.10667	9.7
193.12314	4.2
199.11304	3.2
201.12878	4.2
203.14131	3.5
215.14359	3.4
227.10791	3.4
227.12788	7.0
231.14009	3.1
243.13876	3.2
261.14807	3.4
275.20026	10.1
287.19901	5.1
297.18335	6.6
313.21613	15.7
315.19553	58.9
331.22620	5.1
333.20493	4.1
357.24051	3.7
364.85007	2.9
369.24283	3.8
385.23672	10.6
437.30270	4.1
447.28311	8.7
459.27139	4.1
465.29999	21.0
483.31165	52.3
501.32358	30.9
539.33478	9.6
557.34796	100.0
558.35089	3.8
575.28467	18.8
575.36035	25.5
575.50177	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	575.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.0
55.05505	2.2
57.03436	1.2
67.05512	3.0
69.07074	2.0
71.57043	0.8
71.57461	1.2
79.05487	3.5
81.03439	1.1
81.07057	3.4
83.05003	1.1
85.02917	0.9
93.07020	1.9
94.06577	1.0
95.08631	1.3
105.07041	1.9
109.62436	1.0
114.00282	1.0
117.07040	1.4
119.08604	1.9
122.06016	1.8
131.08603	1.1
164.10777	1.5
168.87265	1.0
172.09973	1.4
184.09911	1.5
185.10794	2.3
197.10760	1.6
213.10313	2.2
214.10956	5.7
215.11844	6.1
225.10243	2.1
226.10983	1.3
227.11925	2.9
245.12926	1.4
269.12820	5.1
278.12848	1.1
279.95123	0.9
286.13321	1.3
287.14145	1.6
291.14960	1.9
292.14493	1.4
293.15329	1.3
294.16013	1.1
306.16092	3.3
308.17566	2.5
320.13998	2.6
320.17764	2.7
321.18454	2.6
322.15588	1.6
322.19089	1.2
334.15668	1.6
335.16736	1.6
335.50717	1.4
336.17075	16.1
347.17062	1.1
348.16953	5.7
349.17822	1.1
350.18521	2.5
351.19473	3.5
352.20395	2.7
362.18774	4.3
363.19336	2.0
364.20523	1.1
380.19870	1.7
389.18539	2.4
390.18124	8.4
405.20532	2.8
406.21344	13.7
408.19360	3.5
412.22412	3.1
413.19785	1.4
423.21466	4.7
426.21851	1.3
438.20184	1.4
456.22952	5.0
468.22879	2.0
472.25000	2.4
473.25571	13.7
484.24759	1.3
485.25531	3.1
510.23926	3.3
526.25964	1.4
527.26678	13.3
528.25427	2.2
544.26965	1.3
545.27606	46.2
546.28235	1.9
557.27557	6.9
557.35107	1.9
575.28656	100.0
576.28711	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	575.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06603	0.7
61.02928	3.2
68.05036	8.0
68.28297	0.5
69.03415	0.8
69.92513	1.0
69.92931	1.5
70.06599	100.0
72.85565	0.5
73.02931	1.2
85.02897	2.9
86.06075	38.7
86.09711	21.5
91.03973	2.3
91.05506	0.7
96.04519	1.1
97.02895	1.5
98.06065	8.3
98.06669	0.7
100.07643	0.6
100.44477	0.5
110.39085	0.5
114.05572	2.0
119.04968	0.8
126.05544	3.6
127.03969	0.6
128.07091	3.0
128.10774	1.6
133.06549	0.9
139.08742	0.7
139.23112	0.5
142.05058	1.1
147.04460	3.3
157.09790	0.9
183.14946	16.5
183.16472	1.1
185.09288	1.4
203.10289	52.4
204.10678	0.6
211.11180	1.0
211.14435	30.0
225.15968	1.2
245.11319	2.4
248.11465	0.6
253.15485	1.1
300.15579	16.3
329.13559	1.0
365.15598	20.9
413.23981	26.0
455.24960	2.6
462.20880	17.5
462.27423	1.0
500.38193	0.6
517.08179	0.8
575.29340	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	574.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20258	1.7
55.05511	4.1
57.03452	2.7
57.07079	31.0
59.32372	1.6
67.05524	10.4
69.07069	5.5
69.47736	13.9
71.08643	16.0
79.05500	2.6
81.07072	9.2
83.08610	7.0
85.02909	1.8
85.10182	9.6
86.65377	1.6
87.04474	100.0
91.05492	3.4
93.07054	3.8
95.08610	13.9
97.10174	3.3
98.21556	3.6
107.08567	2.9
109.10159	7.6
110.03624	1.6
111.11775	1.8
121.06493	4.1
171.62059	1.9
233.19006	2.7
239.23743	19.5
257.24765	3.4
277.21631	3.9
310.10052	1.9
313.27399	50.0
314.27856	1.9
331.28601	8.9
334.19235	1.8
359.38837	1.6
390.03406	1.8
539.28943	2.1
574.39880	8.6
574.48248	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	575.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.8
55.05505	2.3
57.45036	1.1
58.23686	1.0
67.05509	3.5
69.03419	1.6
70.92174	2.1
70.92519	2.1
71.04976	1.1
79.05492	2.6
81.03418	1.9
81.07045	4.1
85.02893	1.4
88.79372	1.1
91.05473	1.9
93.07033	2.3
95.08615	4.1
97.10188	1.6
105.07005	1.7
107.04961	1.2
107.08606	2.1
109.02938	1.3
109.10168	2.9
119.08592	1.3
119.55507	1.2
121.10152	1.3
122.06046	2.6
145.10173	1.6
148.78362	1.1
185.10794	2.8
197.10867	1.7
213.10284	2.6
214.11064	6.5
215.11816	6.7
218.28554	1.2
225.10336	2.7
226.10973	1.4
227.11703	3.0
241.13441	1.3
245.12999	1.7
269.12845	4.4
274.84988	1.5
278.16373	1.4
287.14093	2.8
291.14902	1.4
292.14423	1.5
304.14972	1.3
306.15854	1.7
308.17502	1.8
318.16089	2.1
320.17563	2.5
321.18582	2.6
322.15668	1.2
334.16016	1.5
335.16562	2.6
336.17065	14.3
347.16379	1.7
348.17133	5.9
350.18781	5.5
351.19513	4.8
362.18677	3.9
364.20438	1.5
389.18365	1.6
390.18237	11.2
404.19699	1.9
405.20544	2.3
406.21323	14.2
408.19284	4.5
412.22305	3.4
422.20572	3.1
423.21371	6.2
443.25189	1.4
456.22891	4.5
472.24619	2.9
473.25479	12.2
484.24774	1.3
485.25653	5.2
488.57819	1.1
510.23975	3.1
527.26624	14.9
528.25171	1.7
544.27124	1.5
545.27594	45.8
546.28052	1.4
557.27838	5.8
575.28674	100.0
576.28864	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	574.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.9
55.05518	61.5
57.07087	4.9
67.05506	23.4
69.03439	7.4
69.07066	19.6
79.05046	4.3
79.05491	16.7
81.03431	5.6
81.07072	49.5
81.14311	4.7
83.08639	6.6
85.02918	5.1
86.09707	6.6
91.05475	14.4
93.07053	41.4
95.04975	11.6
95.08607	41.6
97.06558	9.2
97.10175	87.8
105.01760	4.8
105.07032	31.8
107.07344	15.9
107.08588	28.0
109.02869	4.9
109.06512	17.4
109.10171	30.4
111.08093	7.6
117.07007	9.7
119.08602	36.5
121.06505	8.2
121.10155	48.4
122.09671	100.0
123.08068	17.7
123.10030	34.5
123.11748	7.5
125.05984	31.7
125.09637	26.0
127.03883	4.8
129.07047	8.0
131.08554	8.6
133.06406	4.8
133.10161	20.0
135.08049	11.7
135.11676	8.1
137.09631	5.0
141.09119	6.7
143.08511	7.4
143.10718	16.1
145.10114	22.9
147.08063	12.6
147.11694	12.3
149.09669	19.1
151.07565	14.2
151.11183	6.7
153.05470	10.9
157.10165	14.4
159.08076	9.5
159.11751	14.6
161.09644	14.8
161.13292	5.5
163.07538	13.9
163.11212	6.4
165.09195	8.4
169.10095	10.2
171.11732	10.6
173.09645	17.3
173.13231	8.7
175.07596	8.6
175.11237	11.3
177.09091	27.3
177.12691	6.0
179.10693	10.2
183.11746	5.5
185.13246	13.2
187.11128	5.3
187.14813	13.8
191.10680	15.2
197.13211	5.6
199.14888	5.9
201.12721	11.8
201.16411	6.9
203.14407	7.9
209.13365	5.2
213.12817	7.2
215.10791	6.3
215.14362	20.4
227.14354	4.9
229.12352	6.7
229.15875	15.6
230.12973	12.0
231.13803	61.7
233.15411	19.9
239.14386	8.9
243.13818	5.9
245.15462	9.9
247.17018	7.5
257.15347	14.1
261.14996	8.0
263.16467	8.9
271.16971	9.3
273.15042	14.7
275.16434	37.1
287.16602	7.9
289.18259	7.2
291.15958	10.4
291.19388	5.5
293.17493	26.9
297.34332	4.6
305.17548	8.3
307.19034	6.9
319.15436	13.4
337.16403	24.4
355.17560	8.3
395.25809	10.9
413.26645	28.6
423.25287	20.9
431.27954	12.0
439.24731	7.3
441.26443	55.9
450.03607	5.0
453.18274	6.7
457.25830	15.1
459.27319	51.5
461.41312	6.0
475.26947	15.0
477.28677	10.4
485.25571	7.3
503.26617	11.0
521.27576	48.9
574.26587	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	574.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.9
55.05518	61.5
57.07087	4.9
67.05506	23.4
69.03439	7.4
69.07066	19.6
79.05046	4.3
79.05491	16.7
81.03431	5.6
81.07072	49.5
81.14311	4.7
83.08639	6.6
85.02918	5.1
86.09707	6.6
91.05475	14.4
93.07053	41.4
95.04975	11.6
95.08607	41.6
97.06558	9.2
97.10175	87.8
105.01760	4.8
105.07032	31.8
107.07344	15.9
107.08588	28.0
109.02869	4.9
109.06512	17.4
109.10171	30.4
111.08093	7.6
117.07007	9.7
119.08602	36.5
121.06505	8.2
121.10155	48.4
122.09671	100.0
123.08068	17.7
123.10030	34.5
123.11748	7.5
125.05984	31.7
125.09637	26.0
127.03883	4.8
129.07047	8.0
131.08554	8.6
133.06406	4.8
133.10161	20.0
135.08049	11.7
135.11676	8.1
137.09631	5.0
141.09119	6.7
143.08511	7.4
143.10718	16.1
145.10114	22.9
147.08063	12.6
147.11694	12.3
149.09669	19.1
151.07565	14.2
151.11183	6.7
153.05470	10.9
157.10165	14.4
159.08076	9.5
159.11751	14.6
161.09644	14.8
161.13292	5.5
163.07538	13.9
163.11212	6.4
165.09195	8.4
169.10095	10.2
171.11732	10.6
173.09645	17.3
173.13231	8.7
175.07596	8.6
175.11237	11.3
177.09091	27.3
177.12691	6.0
179.10693	10.2
183.11746	5.5
185.13246	13.2
187.11128	5.3
187.14813	13.8
191.10680	15.2
197.13211	5.6
199.14888	5.9
201.12721	11.8
201.16411	6.9
203.14407	7.9
209.13365	5.2
213.12817	7.2
215.10791	6.3
215.14362	20.4
227.14354	4.9
229.12352	6.7
229.15875	15.6
230.12973	12.0
231.13803	61.7
233.15411	19.9
239.14386	8.9
243.13818	5.9
245.15462	9.9
247.17018	7.5
257.15347	14.1
261.14996	8.0
263.16467	8.9
271.16971	9.3
273.15042	14.7
275.16434	37.1
287.16602	7.9
289.18259	7.2
291.15958	10.4
291.19388	5.5
293.17493	26.9
297.34332	4.6
305.17548	8.3
307.19034	6.9
319.15436	13.4
337.16403	24.4
355.17560	8.3
395.25809	10.9
413.26645	28.6
423.25287	20.9
431.27954	12.0
439.24731	7.3
441.26443	55.9
450.03607	5.0
453.18274	6.7
457.25830	15.1
459.27319	51.5
461.41312	6.0
475.26947	15.0
477.28677	10.4
485.25571	7.3
503.26617	11.0
521.27576	48.9
574.26587	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	574.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.9
55.05518	61.5
57.07087	4.9
67.05506	23.4
69.03439	7.4
69.07066	19.6
79.05046	4.3
79.05491	16.7
81.03431	5.6
81.07072	49.5
81.14311	4.7
83.08639	6.6
85.02918	5.1
86.09707	6.6
91.05475	14.4
93.07053	41.4
95.04975	11.6
95.08607	41.6
97.06558	9.2
97.10175	87.8
105.01760	4.8
105.07032	31.8
107.07344	15.9
107.08588	28.0
109.02869	4.9
109.06512	17.4
109.10171	30.4
111.08093	7.6
117.07007	9.7
119.08602	36.5
121.06505	8.2
121.10155	48.4
122.09671	100.0
123.08068	17.7
123.10030	34.5
123.11748	7.5
125.05984	31.7
125.09637	26.0
127.03883	4.8
129.07047	8.0
131.08554	8.6
133.06406	4.8
133.10161	20.0
135.08049	11.7
135.11676	8.1
137.09631	5.0
141.09119	6.7
143.08511	7.4
143.10718	16.1
145.10114	22.9
147.08063	12.6
147.11694	12.3
149.09669	19.1
151.07565	14.2
151.11183	6.7
153.05470	10.9
157.10165	14.4
159.08076	9.5
159.11751	14.6
161.09644	14.8
161.13292	5.5
163.07538	13.9
163.11212	6.4
165.09195	8.4
169.10095	10.2
171.11732	10.6
173.09645	17.3
173.13231	8.7
175.07596	8.6
175.11237	11.3
177.09091	27.3
177.12691	6.0
179.10693	10.2
183.11746	5.5
185.13246	13.2
187.11128	5.3
187.14813	13.8
191.10680	15.2
197.13211	5.6
199.14888	5.9
201.12721	11.8
201.16411	6.9
203.14407	7.9
209.13365	5.2
213.12817	7.2
215.10791	6.3
215.14362	20.4
227.14354	4.9
229.12352	6.7
229.15875	15.6
230.12973	12.0
231.13803	61.7
233.15411	19.9
239.14386	8.9
243.13818	5.9
245.15462	9.9
247.17018	7.5
257.15347	14.1
261.14996	8.0
263.16467	8.9
271.16971	9.3
273.15042	14.7
275.16434	37.1
287.16602	7.9
289.18259	7.2
291.15958	10.4
291.19388	5.5
293.17493	26.9
297.34332	4.6
305.17548	8.3
307.19034	6.9
319.15436	13.4
337.16403	24.4
355.17560	8.3
395.25809	10.9
413.26645	28.6
423.25287	20.9
431.27954	12.0
439.24731	7.3
441.26443	55.9
450.03607	5.0
453.18274	6.7
457.25830	15.1
459.27319	51.5
461.41312	6.0
475.26947	15.0
477.28677	10.4
485.25571	7.3
503.26617	11.0
521.27576	48.9
574.26587	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	573.379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	10.2
55.01878	17.0
55.05519	32.0
57.03444	7.2
57.07086	3.4
59.24179	3.0
61.35720	2.8
65.03950	7.8
67.05165	5.5
67.05511	80.1
69.03432	5.6
69.07077	25.7
69.48718	2.4
69.49008	23.4
71.04992	7.6
76.54447	2.9
79.05501	97.8
81.03418	9.6
81.07066	100.0
83.04985	14.5
83.08627	11.9
85.06579	3.1
91.05489	83.5
93.07053	80.8
95.04981	29.1
95.08610	46.2
97.06541	26.5
97.10182	8.2
99.08118	4.4
105.04517	3.9
105.07042	68.7
107.04968	19.9
107.08605	36.9
109.06534	13.7
109.10158	17.0
111.08076	5.7
115.05471	2.8
117.07017	23.3
117.26168	3.0
119.08597	50.4
121.06531	7.6
121.10156	21.6
123.08102	10.4
123.11720	10.4
125.09651	9.4
128.06232	5.4
129.07008	25.0
131.08578	19.5
133.10147	33.5
135.08090	3.9
135.11711	10.8
141.07018	5.0
143.08562	8.2
145.10147	24.6
147.08038	5.8
147.11711	46.9
149.09648	16.4
149.13263	4.9
155.08611	6.0
157.10136	4.8
159.11688	12.1
161.09648	5.8
161.13297	13.4
163.11215	12.1
165.12772	4.4
169.10107	5.7
171.11708	29.5
173.13289	7.9
183.11697	3.6
189.12802	8.8
207.13882	22.3
210.98213	3.2
227.12810	7.4
229.19406	5.7
247.20695	3.2
257.19043	12.8
263.16492	4.4
275.20081	83.5
281.17514	32.5
293.21164	9.5
331.22595	3.6
349.23740	29.3
412.33255	3.2
446.81207	3.3
459.31522	4.0
555.36938	28.2
573.38452	20.8
573.47363	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	573.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.8
53.03954	8.6
55.01878	5.8
55.05517	24.1
57.03435	3.9
57.07072	3.7
58.74464	1.1
60.72224	1.0
65.03938	4.2
67.05513	65.9
69.03418	1.6
69.07077	21.8
69.42822	9.4
71.04995	2.6
74.63873	1.0
77.03920	1.7
79.05502	72.5
81.03432	8.5
81.07066	100.0
82.07391	1.3
83.04990	11.4
83.08633	13.1
85.06554	3.3
91.05490	56.2
93.07056	53.8
95.04980	24.0
95.08616	35.0
95.09112	0.9
97.06565	6.0
97.10180	3.5
99.08076	2.5
103.05495	1.9
105.04556	2.9
105.07041	54.0
107.04955	11.8
107.08614	22.5
109.06531	23.6
109.10162	10.4
111.08089	4.4
115.05457	2.1
117.07030	12.2
118.21250	1.1
119.07790	2.2
119.08598	35.7
121.06531	5.1
121.10155	15.2
123.08093	8.4
123.11723	8.5
125.09689	2.0
125.65884	1.2
128.06224	2.6
128.63954	1.2
129.07018	13.5
131.08595	12.9
133.06534	2.4
133.10147	17.9
135.08067	3.3
135.11713	6.7
137.09624	4.5
141.06976	1.6
143.08594	6.8
145.10136	14.2
147.08058	4.0
147.11705	34.4
149.09634	5.1
149.13261	5.0
151.11195	1.3
157.10136	3.9
159.11690	6.8
161.09651	4.3
161.13264	10.7
163.03813	1.9
163.11198	7.1
165.12756	5.4
169.10117	2.3
171.11723	19.1
173.09647	1.5
173.13272	2.5
175.11232	3.4
177.12779	2.0
179.14287	2.0
183.11697	2.9
187.14836	1.9
189.12714	8.8
190.87964	1.5
193.12271	2.1
197.13287	2.5
207.13824	13.3
225.14693	1.9
227.12912	1.3
229.19530	3.6
239.17975	2.1
241.96611	1.2
247.20541	5.1
251.16350	1.2
257.18979	5.8
267.15909	3.1
273.18777	1.2
275.20102	53.0
276.20432	1.6
281.17517	20.9
293.21094	8.4
325.50110	1.3
348.17117	1.2
349.23746	16.8
379.46515	1.1
427.40436	1.2
478.51553	1.4
499.34430	1.3
537.36169	1.4
555.29272	2.1
555.36835	22.1
573.38049	23.7
573.48206	2.5
574.38232	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	6.9
55.01886	4.2
55.05511	30.4
57.03439	11.5
57.07084	13.3
65.03951	7.5
67.05167	4.6
67.05512	72.5
69.03440	5.0
69.07073	16.4
69.96233	2.2
71.04999	5.5
71.08630	13.2
79.05500	61.5
81.03424	44.1
81.07064	53.4
83.04975	15.4
83.08626	25.5
85.02917	23.2
85.06551	5.2
85.10195	5.5
89.06042	14.0
91.05492	100.0
93.07057	49.2
95.04982	34.2
95.08626	39.8
97.06543	14.1
97.10171	9.9
105.07041	61.6
107.04957	7.8
107.08596	22.2
109.06516	7.9
109.10185	13.3
111.08073	15.1
113.05983	2.4
115.05496	5.3
117.07043	15.0
119.08591	44.2
121.06529	5.0
121.10149	19.3
123.08075	6.7
123.11723	5.4
125.09637	3.6
128.06238	4.0
129.07014	18.0
131.08569	28.6
133.08617	8.9
133.10152	23.0
135.08127	4.2
135.11711	6.2
137.09636	4.1
143.08607	10.9
145.10129	19.0
147.08069	4.6
147.11723	20.4
147.44627	2.7
149.09631	8.1
155.08589	5.0
157.10205	19.4
159.11716	7.8
161.13264	6.3
163.14693	2.5
165.12730	3.0
169.10150	5.1
171.11714	7.4
173.13309	6.3
175.11183	13.0
175.14862	4.1
181.10204	4.3
183.11786	3.5
185.09695	3.6
185.13264	5.8
187.14890	4.0
189.11243	3.3
189.16348	3.2
193.12274	47.1
199.14828	4.6
203.17953	15.7
209.13393	3.0
211.13295	47.9
211.14996	2.5
227.17924	2.9
243.21039	3.6
267.15894	6.4
269.22711	7.9
276.90976	3.6
285.17041	27.7
285.22232	2.7
287.23645	6.2
327.27011	4.9
339.18326	3.0
349.37811	3.0
437.22388	2.7
443.32846	3.2
461.34070	6.4
477.73251	2.7
479.35266	5.8
553.39075	15.7
554.43085	2.9
565.90985	7.6
571.40100	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	571.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.05512	1.3
55.72169	0.5
57.03445	1.0
58.67178	0.6
67.05502	2.6
69.03423	2.1
69.07058	3.2
70.50658	1.5
70.51019	1.2
71.04991	1.3
79.05502	2.3
81.03413	1.8
81.07066	5.2
83.04944	1.1
83.08628	1.3
85.02901	2.2
91.05470	1.4
93.07047	2.8
95.04961	0.6
95.08624	5.2
97.02921	1.2
97.06545	0.9
97.10170	0.9
99.04477	0.8
105.01880	0.7
105.07036	3.3
107.04996	0.8
107.08607	2.8
109.02895	1.3
109.06524	1.5
109.10165	4.0
111.04398	1.0
117.07024	0.8
119.08573	3.4
121.06488	0.9
121.10151	2.5
123.08082	3.2
123.11714	1.8
125.06002	11.7
125.09653	0.8
126.06756	1.4
127.03915	2.0
131.08551	1.5
133.06525	1.4
133.10173	2.9
135.08075	1.2
135.11649	0.6
137.05971	1.0
137.09608	1.5
139.07518	1.0
141.05557	0.7
143.08571	1.0
144.71472	0.5
145.10158	0.8
147.08052	1.4
147.11665	2.1
149.05986	0.8
149.09613	1.7
151.07570	2.5
151.11153	0.9
153.05482	2.5
153.77771	0.6
154.06268	0.9
157.10167	1.7
159.11752	1.5
161.09621	1.7
161.13336	0.6
163.07520	1.1
163.11095	1.2
165.05566	1.1
165.09113	4.1
165.12721	0.9
167.07031	0.9
171.11736	1.2
173.13353	1.0
175.07550	1.3
175.11064	0.8
175.14865	0.6
177.09093	0.7
179.07098	0.9
189.09155	0.8
189.16434	0.6
193.08614	9.2
199.14827	1.7
201.12750	0.8
203.14384	0.9
207.17436	0.6
213.16429	0.9
217.15919	2.5
221.15381	1.4
227.14278	1.3
235.16891	1.0
241.15991	1.3
245.15413	3.5
259.16968	2.7
263.16434	33.7
264.16803	0.6
269.15378	1.8
277.18079	3.3
287.16525	2.4
295.18936	1.1
305.17465	12.8
316.14767	0.6
323.18552	100.0
324.18951	1.7
571.25256	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66962	1.0
50.92350	1.2
57.90013	1.0
66.21288	1.2
69.93810	5.3
82.99861	2.1
85.02901	1.4
85.47485	1.1
88.69913	1.1
91.05457	1.3
97.02856	1.6
98.21448	1.2
98.26219	1.1
101.00891	14.2
111.00891	1.2
113.00880	2.6
115.02432	2.6
117.03384	1.5
119.01934	24.7
119.04902	1.2
127.02442	2.5
127.03976	1.5
131.01912	10.6
133.03476	5.3
137.02914	2.0
139.02406	1.7
143.01909	27.4
145.03496	14.4
147.01404	2.1
147.04393	2.4
155.01898	18.5
157.03470	9.3
161.02962	27.0
163.03857	3.2
167.01906	8.4
168.99840	3.7
169.03505	4.1
171.05052	3.5
173.02950	24.9
175.04507	2.6
179.01910	4.8
185.02962	47.4
187.00952	3.3
187.04535	4.9
189.02560	2.2
191.04021	2.7
192.99884	1.1
197.02975	18.6
199.00879	3.2
199.04636	1.7
201.02519	2.7
203.04005	12.3
209.02921	3.3
213.02406	2.1
215.00429	5.7
215.04004	9.1
217.01959	4.3
219.03490	2.2
221.05096	3.8
227.03995	9.9
229.01909	2.1
231.03520	4.7
239.03900	2.2
241.01996	2.0
243.03546	1.3
245.05084	100.0
246.05228	3.1
247.03032	5.6
257.05051	6.1
259.02954	3.2
263.06119	11.9
271.02972	3.4
275.02588	5.0
275.06146	13.7
277.07727	2.1
289.04056	11.5
293.07123	4.5
301.04080	3.6
303.05600	2.0
305.07254	9.5
307.05090	10.2
311.02597	1.4
315.05646	1.3
319.05026	4.8
323.53458	1.4
331.05157	5.0
335.08118	4.4
343.05258	2.2
349.06180	10.6
359.04593	3.3
365.09280	16.8
377.05652	3.4
381.05951	1.5
391.07285	4.1
395.59857	1.2
511.11365	4.5
539.10645	2.4
571.13275	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97876	1.1
63.84308	1.0
70.31064	2.4
70.31475	3.4
82.99866	3.1
85.02925	1.1
89.03922	1.6
100.92482	1.3
101.00890	12.5
113.00842	1.9
115.02446	1.9
119.01134	2.2
119.01933	30.5
119.04911	2.3
127.02403	2.9
129.03922	1.7
131.01949	11.0
133.03473	6.3
135.04451	1.7
137.02939	2.2
137.33922	1.3
143.01920	28.9
145.03511	13.4
147.01428	2.1
147.04427	5.5
155.01895	16.9
157.03485	9.1
161.02985	28.0
161.04315	1.8
163.03864	11.2
164.04254	2.4
167.01909	9.7
168.99895	2.4
169.03461	4.9
171.01378	1.5
171.05025	1.9
173.02988	28.3
175.04547	3.0
179.01907	4.5
184.04436	1.4
185.02977	50.3
186.03087	1.2
186.56236	1.2
187.00899	4.8
187.04524	4.7
188.96960	1.5
189.02441	2.4
191.03993	2.9
191.92371	1.2
197.02966	18.3
199.00861	2.8
199.04485	2.0
201.02432	2.4
203.04031	12.3
213.02440	1.9
215.00456	5.6
215.04007	12.0
217.01915	3.5
219.03482	1.7
221.04924	2.6
227.04021	10.6
229.01988	2.7
231.03548	4.1
245.05096	100.0
246.05243	3.1
246.97687	1.5
247.03004	4.0
257.05145	6.6
259.03040	2.8
263.06204	12.7
269.49496	1.2
271.02979	3.1
275.02658	4.5
275.06134	13.4
277.04178	1.3
289.04074	12.8
293.07239	4.3
299.02286	1.6
301.04034	3.3
305.04031	1.6
305.07233	9.3
307.05045	11.2
319.05096	4.2
331.05057	4.8
335.08200	4.2
349.06271	10.5
359.04630	4.3
361.05954	1.4
365.09412	16.0
377.05798	5.2
391.07095	4.9
409.08405	2.1
511.11676	2.8
539.10681	3.9
571.13715	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	569.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.8
55.01851	10.6
55.05517	25.0
57.03435	14.3
57.07067	7.9
65.03944	6.6
67.05171	4.8
67.05508	79.0
69.07064	17.4
70.04048	4.7
70.04444	10.4
71.08665	5.5
79.05063	6.0
79.05499	100.0
81.03414	24.4
81.07063	75.1
81.59467	3.7
83.04960	5.8
83.08604	9.2
85.02906	55.5
89.06075	3.5
91.05486	78.1
92.76991	3.2
93.07050	77.2
95.04972	20.4
95.08614	48.1
97.06508	12.3
97.10133	3.5
98.21464	7.3
103.05485	4.6
105.07033	55.7
107.04953	21.8
107.08604	39.0
109.06510	11.3
109.10194	18.1
111.08090	3.6
115.05443	12.0
117.07019	30.8
119.08582	23.1
121.06487	12.3
121.10165	23.1
123.08032	9.6
123.11724	6.6
128.06252	8.6
129.07045	25.0
131.04935	3.7
131.08586	41.3
133.06543	24.8
133.10126	31.6
135.08011	11.8
135.11697	13.7
141.06979	10.0
142.61952	3.2
143.08601	18.3
145.06528	6.5
145.10139	19.1
147.04419	4.4
147.07994	5.3
147.11627	9.1
149.09644	13.7
149.13261	9.5
150.67020	3.7
151.11185	9.4
155.08495	9.9
157.10124	18.6
159.08099	5.6
159.11705	11.0
161.09645	5.0
163.11296	4.1
163.14796	3.3
169.10103	13.6
171.08073	3.4
171.11719	20.8
173.09650	7.2
173.13240	10.5
175.11191	4.5
181.10153	11.0
183.11638	8.0
185.09572	3.8
185.13272	8.6
187.11305	4.7
187.14796	5.9
189.12798	7.4
196.76736	3.8
197.13261	5.4
199.11221	16.1
217.12167	18.5
228.24741	3.4
261.22070	4.5
285.22110	3.6
335.25891	26.6
341.82828	4.2
373.78937	4.0
459.32513	7.5
477.33563	9.4
489.98615	3.4
495.34760	4.9
551.36993	12.8
569.38373	84.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.9
55.01879	13.1
55.05264	2.7
55.05516	31.8
57.03431	7.8
57.07067	7.2
64.17072	2.5
65.03935	4.1
67.05180	3.2
67.05509	47.8
69.03398	3.0
69.07069	12.6
69.27724	27.1
71.04967	3.1
71.08623	5.0
79.05500	46.2
81.03410	10.3
81.07066	43.6
83.04978	11.4
83.08631	13.6
85.02921	2.5
91.05487	52.9
93.07048	44.8
95.04952	10.1
95.08614	26.1
97.06540	4.8
97.10177	14.5
100.31189	2.4
102.09153	2.7
105.07033	36.2
107.04963	6.0
107.08603	24.9
109.06522	4.3
109.10154	12.4
111.08076	3.1
115.05465	3.4
117.07027	24.5
119.08584	25.6
121.06499	4.4
121.10155	13.3
123.08144	4.6
125.09612	9.6
128.06236	6.1
129.06985	20.2
131.08582	27.9
133.10164	15.6
135.11716	10.4
141.07010	7.9
143.08557	19.9
144.50153	2.5
145.10138	23.5
147.11674	9.1
149.09639	3.7
149.13240	3.4
153.12779	3.9
155.08539	10.6
157.10097	14.0
159.08032	4.6
159.11752	5.0
161.13234	5.4
163.11189	6.4
165.07030	4.0
167.08598	5.1
169.10156	12.0
171.11688	10.1
173.09625	3.8
181.10114	5.1
181.12328	2.7
183.11737	8.9
185.09628	2.7
185.13243	7.3
187.14809	4.3
189.11252	10.1
193.10178	3.9
193.12296	4.8
195.11758	6.0
197.13245	6.3
199.14819	3.5
201.16286	3.1
203.17934	4.8
209.13324	4.3
211.14914	5.1
219.11681	2.6
227.12798	9.7
227.18088	2.9
241.19620	2.5
263.11682	2.6
267.15656	3.9
267.20953	6.5
269.22711	6.8
283.15359	14.1
285.22122	11.8
287.23657	3.1
307.24246	3.4
309.22122	4.6
325.25223	5.3
337.16528	2.4
459.32571	11.0
477.33566	15.6
495.34995	6.3
551.37531	16.4
569.38312	100.0
569.56671	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	568.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.0
55.01886	0.8
55.05505	9.5
57.07073	8.2
59.05022	1.0
65.03938	3.9
67.05510	16.4
69.03424	2.3
69.07067	12.4
71.04968	1.2
71.30978	1.3
71.31345	0.8
77.03899	1.3
78.04706	0.9
79.05495	22.9
80.06261	3.9
81.07057	35.4
82.83609	0.9
83.04988	2.4
83.08625	5.8
83.76752	0.9
85.06541	4.3
86.16999	0.8
86.81659	0.9
88.07648	1.1
91.05480	44.9
92.06260	3.1
93.07045	51.5
94.07838	2.2
95.04970	41.3
95.08604	28.5
97.06525	2.2
103.05457	3.8
104.06271	1.5
105.04547	1.6
105.07030	85.2
106.07844	4.5
107.08593	42.3
108.09377	1.7
109.06496	5.2
109.10153	18.8
111.08075	1.4
115.05440	6.5
116.06225	2.4
117.07019	27.9
118.07804	2.1
119.08579	100.0
120.09394	8.5
121.06509	2.5
121.10143	31.9
122.10885	0.9
123.08068	17.9
123.11703	6.6
125.09610	2.9
128.06227	10.0
129.07002	18.5
130.07791	11.2
130.30772	0.9
131.08569	52.0
132.09354	10.6
133.06529	1.6
133.10132	58.1
134.10950	5.4
135.08047	5.7
135.11693	14.5
137.09596	5.3
138.10417	6.7
139.11194	1.5
141.07014	7.3
142.07788	18.2
143.08560	48.5
144.09335	15.1
145.06471	2.2
145.10124	88.2
146.10919	6.3
147.08043	3.3
147.11687	22.1
148.08774	1.4
148.12462	1.1
149.09605	5.5
149.13275	4.0
151.11197	4.1
153.07008	2.7
154.07774	3.2
155.08549	17.3
156.09349	17.2
157.10132	49.1
158.10905	11.5
158.75452	0.8
159.08067	2.9
159.11693	38.8
160.12460	4.0
161.09648	6.2
161.13226	8.1
163.11205	3.3
163.14784	1.8
165.06941	5.1
165.12714	1.1
166.07787	3.2
167.08562	7.2
168.09325	7.3
169.10132	26.9
170.10931	10.1
171.11684	35.1
172.12476	6.0
173.09648	1.4
173.13261	27.4
174.14130	1.5
175.11169	1.3
175.14836	20.0
177.11414	1.0
177.12732	5.1
178.07822	1.4
179.08521	8.5
180.09377	5.7
181.10109	17.6
182.10907	10.7
183.11682	28.8
184.12427	4.7
185.13258	24.8
186.14009	6.5
187.11237	1.5
187.14818	14.3
189.12706	4.5
189.16458	1.0
191.14323	8.3
192.09315	2.6
192.15085	2.7
193.10109	9.6
194.10939	9.0
195.11693	18.8
196.12494	9.6
197.13263	28.7
198.14017	4.3
199.11177	1.7
199.14833	11.5
200.15601	1.9
201.12798	4.1
201.16324	7.7
203.14311	2.6
203.18643	0.9
205.10124	1.9
205.15845	1.4
206.10909	3.5
207.11703	10.5
208.12434	3.7
209.13263	22.8
210.14091	4.1
211.14806	17.0
211.16713	1.4
212.15550	1.8
213.16356	5.2
215.14343	1.7
215.17969	1.0
217.10025	1.2
217.15884	5.0
218.10941	1.8
218.16684	1.0
219.11716	2.4
219.17439	2.4
220.12486	2.8
221.13271	8.3
222.14046	2.8
223.14847	10.9
224.15652	3.9
225.16379	7.9
226.17139	3.6
227.14285	1.1
227.17923	2.1
229.15813	1.5
230.16742	1.2
231.11629	1.6
231.17468	2.0
232.12459	1.4
233.13242	3.3
234.14035	1.9
235.14778	7.1
236.15585	1.4
237.16348	9.1
238.17062	1.4
239.14311	1.0
239.17943	5.5
241.15987	1.4
241.19464	2.8
243.17426	1.7
245.13255	1.3
245.19217	1.1
247.14784	3.2
248.15681	1.7
249.16351	4.4
251.17976	3.8
253.19508	1.7
255.17332	1.1
257.19101	2.4
259.14890	2.2
259.20663	3.4
261.16425	3.4
263.17969	5.5
265.19589	4.4
267.21088	1.8
269.18912	1.1
270.19769	1.3
272.21426	2.6
275.17963	3.8
277.19571	4.3
279.21021	1.8
281.18951	1.2
283.20590	3.9
283.26382	1.1
284.29526	1.6
285.22064	2.1
289.19385	1.6
291.21106	1.6
295.20551	1.4
297.22131	3.4
303.21063	1.0
305.22653	2.3
320.25061	1.1
323.23563	5.7
324.24493	1.0
331.24252	2.0
337.25250	3.6
338.26031	39.9
339.26428	1.1
349.25192	1.5
351.26767	2.9
362.26102	1.9
415.29889	1.7
420.30426	2.0
429.31375	1.5
430.32355	12.3
444.65344	0.9
458.35461	1.8
476.36591	16.5
568.42737	26.4
568.56097	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	567.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01577	1.0
51.02380	1.8
53.03946	9.2
55.01862	3.4
55.05261	1.5
55.05515	20.6
57.03432	2.8
57.07085	5.4
65.03947	5.8
67.05508	70.0
69.03415	1.2
69.07075	17.9
69.27332	8.2
71.04997	1.9
71.08632	2.8
72.74406	0.9
73.06553	1.0
77.03922	2.4
79.05495	82.0
81.03430	6.8
81.07059	50.8
83.04986	11.9
83.08629	9.5
85.06524	1.8
85.10170	1.5
91.05485	100.0
93.07052	61.8
95.04974	23.5
95.05559	1.9
95.08609	33.6
97.06539	8.7
97.10185	3.0
98.21450	1.5
99.08080	1.3
103.05463	3.0
105.04538	2.0
105.07035	63.2
107.04964	5.7
107.08603	22.3
107.09294	1.6
109.06554	5.6
109.10168	9.9
111.00798	1.3
111.08096	2.6
114.64861	0.9
115.05448	3.1
117.07032	18.6
119.08585	42.9
121.06530	3.7
121.10159	11.4
123.08038	6.3
123.11716	2.5
125.09628	0.9
127.07597	1.3
128.06238	6.4
129.07013	18.6
131.08582	16.9
133.10132	23.1
135.08151	1.7
135.11694	4.6
137.13307	1.3
139.03923	1.7
141.07013	2.2
142.07796	2.4
143.08572	12.5
145.10129	15.5
147.08058	2.7
147.11696	30.7
149.13278	2.4
155.08578	1.7
157.10132	5.4
159.11691	2.9
161.09641	3.4
161.13283	13.5
169.10185	2.5
171.11696	24.1
171.13162	1.8
173.13368	2.8
175.14896	2.7
179.14384	1.4
181.10199	1.6
183.11687	1.2
185.13295	3.4
187.14873	1.4
189.12752	9.8
189.16437	2.6
195.11769	1.6
197.13277	1.5
199.14890	1.6
201.16451	1.7
203.17967	12.8
207.11836	2.0
207.13811	18.4
209.13394	1.3
213.16469	1.8
215.14345	1.4
227.18262	1.3
239.18483	0.9
241.19537	1.6
251.16508	3.6
266.41907	1.0
269.22754	4.1
271.22546	1.0
279.15945	10.8
281.17477	35.1
287.90707	0.9
335.18573	2.1
372.41403	1.0
377.13446	1.0
406.94775	1.0
475.35849	3.4
494.76978	0.9
549.18402	0.9
549.38458	4.4
567.40570	42.7
568.41156	1.1
579.91400	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.0237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49722	1.1
64.62270	1.1
69.90482	3.2
69.90879	1.8
84.97361	1.2
85.03146	1.2
98.21272	2.3
98.97625	3.9
116.98638	3.5
191.36208	1.2
232.96703	2.0
234.96567	1.8
235.00035	4.2
240.98892	2.7
250.97820	3.2
252.97557	1.4
253.00954	1.5
256.96768	3.9
257.96790	1.3
258.96896	2.4
258.99994	26.7
260.00079	2.3
260.99951	3.8
261.03036	1.5
264.99036	1.9
274.97800	14.4
275.97910	4.9
276.97653	10.1
277.01065	26.4
278.01263	2.9
279.01031	2.3
283.00024	60.6
284.00043	5.8
284.99905	5.4
292.98782	3.0
293.98669	1.2
294.98618	1.8
297.99548	1.2
298.97845	12.5
299.98099	3.3
300.97635	10.4
301.01044	100.0
302.01169	6.6
303.00922	7.5
314.95868	1.4
316.95706	1.2
316.98886	19.7
317.99005	6.0
318.98740	15.3
319.02094	3.0
324.02957	2.8
358.96524	2.4
359.00348	2.2
364.99088	1.5
398.95026	3.4
401.01651	8.5
402.01141	1.7
403.01285	2.2
407.00146	2.3
416.95139	1.6
418.98788	4.2
425.01282	19.5
426.01370	2.4
440.98779	4.6
441.98993	2.7
443.02765	52.8
444.02158	4.9
445.02127	3.4
459.00534	5.5
460.00186	4.3
460.99661	15.1
466.03656	2.5
476.55759	1.2
500.98138	6.6
525.00513	1.5
542.99274	4.1
544.10443	1.6
545.98981	1.7
549.01324	23.7
567.02539	41.9
568.02112	3.5
585.00110	15.6
590.03546	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61682	5.1
53.03935	18.9
55.01877	10.1
55.05508	32.8
56.29171	5.9
57.03435	14.4
59.73761	5.7
61.66046	4.6
65.03922	6.4
67.05513	81.0
69.03436	80.3
69.07054	26.7
69.90567	20.0
69.90976	12.2
71.01353	9.2
71.04984	15.4
73.02908	11.1
74.91331	5.4
79.05502	73.5
81.03424	100.0
81.07059	97.0
83.04987	15.2
83.08614	20.0
85.02898	32.8
85.06569	6.5
89.80859	5.0
91.05479	57.2
93.07050	74.5
95.04967	20.8
95.08606	66.4
97.02891	40.6
97.06542	8.0
97.10143	10.4
98.20813	6.5
99.04443	23.9
105.07040	58.4
107.04963	12.7
107.08604	44.4
109.02883	44.0
109.06506	13.7
109.10173	34.5
111.04450	20.1
111.08080	6.6
117.07034	36.5
119.08614	34.3
121.06474	6.1
121.10184	30.4
123.11774	7.4
127.03931	42.6
128.06223	6.4
129.05473	8.1
129.06996	31.9
131.08554	44.1
133.06531	9.6
133.10168	33.8
135.11682	22.1
137.06015	5.4
137.09631	8.3
141.07014	10.1
143.08556	23.9
145.06462	9.9
145.10132	33.6
147.08121	12.4
147.11693	22.6
149.09575	6.9
149.13203	13.2
155.08562	13.4
155.43555	6.4
157.10104	15.2
159.11711	24.4
161.09584	8.6
161.13283	10.1
167.08694	6.4
169.04990	5.4
169.10123	11.7
171.08051	6.1
171.11667	12.5
173.11931	5.4
173.13298	11.2
175.11189	5.9
175.14844	7.0
181.10173	12.1
183.11668	10.3
185.08011	5.6
185.09602	6.7
185.13213	7.0
187.14861	6.5
195.11691	8.0
197.13287	8.3
199.14717	5.1
203.14513	5.4
209.13292	7.5
235.63586	5.1
243.21049	7.8
259.20514	7.5
261.22211	11.8
271.20129	6.3
297.22162	5.4
301.21527	11.0
303.23135	9.3
313.21622	8.3
315.23462	6.9
325.21597	7.9
327.23175	9.0
341.24875	10.1
345.23923	7.3
351.23074	8.9
357.24280	7.6
369.24115	15.7
387.25363	12.9
405.26172	20.2
513.28571	6.1
531.29681	12.9
549.30176	11.7
567.31372	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	565.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.8
55.05526	2.0
67.05508	3.2
69.07077	2.2
69.43204	6.4
73.45271	0.8
79.05529	3.7
81.03432	1.2
81.07059	4.5
83.01364	1.2
83.08638	0.9
85.02908	1.5
91.05502	2.7
93.07066	2.3
93.50773	0.8
95.04987	2.0
95.08618	3.1
97.10163	0.8
98.20770	1.8
105.07013	1.1
106.06593	1.4
107.08630	2.9
109.02937	1.0
109.06555	1.0
109.10179	1.2
110.39311	0.9
111.08099	0.8
119.08601	1.3
123.08162	1.1
127.03933	1.0
131.08606	1.2
134.06023	14.5
136.07610	4.0
145.10149	1.6
149.09593	1.0
150.09084	1.2
152.07117	1.8
161.07137	3.6
162.09193	0.9
166.08691	1.0
178.08646	5.8
180.06566	15.7
180.10240	2.5
197.09206	1.7
205.09738	22.3
206.08105	5.6
223.10909	2.6
267.13428	42.3
268.13770	0.7
289.55139	0.8
294.21481	1.3
299.20151	1.0
396.32852	1.3
419.07712	3.0
424.32202	2.7
503.36725	0.8
529.40118	13.1
547.41101	15.6
548.41333	1.1
565.42151	100.0
566.42896	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	565.4042
Annotation	28380-31-6
Peak:m/z	Relative Intensity
53.03946	1.5
55.05512	9.0
55.98255	0.8
57.07073	3.3
65.03946	2.0
67.05511	12.5
68.21144	0.9
69.03424	4.0
69.07068	10.5
69.89500	5.1
71.04990	1.0
79.05493	12.2
81.03405	1.1
81.07060	19.7
81.47801	0.9
83.04990	3.4
83.08631	4.1
85.06541	2.1
91.05030	0.5
91.05480	24.7
93.07046	25.3
95.04977	6.8
95.08611	20.1
97.06536	2.8
98.20739	1.6
103.05479	2.6
105.04496	0.9
105.07034	43.1
105.84396	0.9
107.08600	26.7
109.06529	6.0
109.10158	15.8
111.08096	0.9
115.05463	3.0
116.06216	1.4
117.07022	9.0
119.08589	45.7
119.83171	0.8
121.06564	1.8
121.10149	35.4
123.08048	6.4
123.11703	5.9
123.33846	0.9
125.05988	1.5
125.09629	1.0
127.68351	0.9
128.06219	6.7
129.07013	7.9
130.07797	3.5
131.08572	20.8
133.06583	1.3
133.09109	1.7
133.10133	30.8
135.08057	5.4
135.11720	10.5
137.09665	5.6
139.11201	1.4
141.07016	4.9
142.07780	12.2
143.08556	22.1
144.09361	3.4
145.10133	32.1
147.08043	7.0
147.11707	10.8
149.09615	5.1
149.13210	1.7
151.07579	3.5
153.06984	2.1
153.09163	1.0
154.07767	1.7
155.08571	7.9
155.10664	1.6
156.09348	10.5
157.10133	33.7
158.10977	4.0
159.08018	2.6
159.11708	18.9
161.09654	2.5
161.13298	5.3
163.11211	3.7
165.06972	4.6
165.09103	10.8
166.07869	2.3
167.08569	4.9
167.10674	10.9
168.09349	4.8
169.10112	18.1
170.10869	4.9
171.11708	18.5
171.13139	1.4
172.12444	1.7
173.09698	2.5
173.13277	15.6
175.11180	2.7
175.14816	6.2
178.07797	1.3
179.08531	8.1
180.09372	3.1
181.10117	10.8
181.12248	3.3
182.10942	7.4
183.11682	17.1
184.12479	3.0
185.13261	14.2
187.14841	7.0
189.12796	2.7
191.08615	1.1
191.14301	1.5
192.09357	4.2
193.10139	10.7
194.10878	7.5
195.11707	14.7
196.12480	3.9
197.13242	14.1
197.14720	1.2
198.14041	1.6
199.11256	0.9
199.14813	8.4
201.12753	1.5
201.16396	4.4
203.08632	1.2
203.14293	4.3
204.09427	1.0
205.10194	2.7
205.15947	1.7
206.10921	5.5
207.11737	11.8
207.13777	2.0
208.12468	5.4
209.13274	18.2
210.14095	2.5
211.11292	0.9
211.14824	9.0
213.12849	1.3
213.16405	4.1
215.14374	2.8
217.10222	3.8
217.16014	2.4
218.10997	1.7
219.11710	6.0
220.12463	6.8
221.13312	11.5
221.15425	19.4
222.14091	2.7
223.14781	9.0
224.15602	1.2
225.12906	1.3
225.16455	6.3
229.10249	1.2
229.15858	1.8
230.10999	1.4
231.11809	3.3
231.17487	1.2
232.12541	3.5
233.13266	6.0
233.15466	4.7
234.14084	2.2
235.14828	8.6
236.15652	1.3
237.16385	8.3
238.58110	1.0
239.17931	4.6
241.15701	1.3
243.11807	2.5
244.12575	2.6
245.13293	4.7
246.14069	4.1
247.14851	6.5
247.16963	1.2
248.15677	2.2
249.16411	5.9
250.17293	1.4
251.18048	7.7
253.19650	3.3
255.17418	0.9
256.12421	1.1
257.13266	2.6
257.19043	1.3
258.14136	2.8
259.14810	4.9
260.15735	2.7
261.16452	5.5
262.85120	0.9
263.17935	5.6
264.18796	1.5
265.19501	7.8
267.17520	1.2
267.21350	1.1
269.19095	1.6
271.14856	3.8
272.15662	1.7
273.16473	2.7
274.16928	1.0
275.18066	3.5
277.16165	0.9
277.19559	4.9
279.21140	2.8
281.13171	1.2
281.19147	1.7
283.14807	2.0
283.20468	2.1
285.16397	2.4
286.16833	1.2
287.18008	2.5
289.19540	3.7
291.20947	2.1
293.18991	1.2
295.20547	2.7
297.16608	1.8
298.17148	1.3
299.17636	1.4
301.19424	2.7
303.21033	2.0
307.20514	2.7
311.18359	0.9
313.19577	1.4
315.21170	1.6
317.22598	2.4
319.24274	1.2
325.19592	1.0
327.20972	1.5
329.22833	3.2
331.24286	3.4
333.22098	1.4
335.23697	2.0
337.19528	1.4
341.22638	1.4
343.24280	2.6
345.25925	1.5
347.23593	2.6
349.25281	1.2
355.24075	1.2
357.22028	1.1
357.25925	3.4
359.23584	1.1
365.24872	2.9
373.25580	1.1
385.29089	2.2
407.29782	1.0
409.29089	1.3
423.26904	1.3
425.28207	1.3
473.34207	8.0
491.33237	1.1
507.36615	1.1
509.34134	2.4
529.38647	1.5
540.67267	1.0
547.39337	18.6
565.40436	100.0
566.40790	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.5
53.40393	0.8
55.05513	7.8
57.07083	7.7
59.05003	2.7
59.60933	0.8
65.03942	2.9
67.05162	1.7
67.05508	20.9
67.67114	0.8
67.70399	0.8
69.03440	4.8
69.07070	12.2
76.70788	1.0
77.03947	1.3
79.05501	20.4
81.06582	1.2
81.07066	25.1
83.04988	4.3
83.08620	3.3
85.06542	2.8
91.05489	35.4
93.07053	37.8
95.04978	6.9
95.08619	25.1
97.06528	3.7
97.10143	0.9
103.05480	4.9
105.07043	60.0
107.05001	1.0
107.08607	29.5
109.06535	5.1
109.10168	16.8
111.08150	1.7
115.05479	3.6
116.06207	1.0
117.07030	12.3
119.08592	57.4
120.08987	0.9
121.06518	4.6
121.10156	41.9
121.22948	0.9
121.81398	1.0
122.07241	1.2
123.08084	10.9
123.11713	5.7
125.06008	3.4
125.09627	1.1
128.06236	8.9
129.07018	12.3
130.07823	4.8
131.08585	23.0
133.06516	1.9
133.10139	30.0
135.08086	7.2
135.11720	10.6
137.09636	9.2
139.07556	1.7
141.06987	7.9
142.07803	18.0
143.08571	28.4
144.09367	5.7
145.06503	1.6
145.10141	35.0
146.10970	1.0
147.08078	11.6
147.11693	10.3
149.09642	3.3
149.13335	1.4
151.07542	7.2
151.11226	1.2
153.07022	2.9
154.07774	2.4
155.08562	12.2
156.09364	14.2
157.10146	39.0
158.10907	5.0
159.08055	1.5
159.11699	17.3
159.13000	1.1
161.09659	3.8
161.13266	3.3
163.11192	5.6
165.06996	6.5
165.09105	18.2
166.07790	2.2
167.08580	8.7
167.10683	7.0
168.09322	4.7
169.10150	19.7
170.10934	7.6
171.08119	1.3
171.11713	21.2
172.12474	1.3
173.09691	2.9
173.13266	17.1
173.14655	1.2
175.11275	1.9
175.14847	6.1
178.07785	1.3
179.08557	12.0
180.09384	5.2
181.10135	12.5
181.12268	3.9
182.10899	5.4
183.11700	16.9
184.12544	2.8
185.13283	17.4
186.36879	1.0
187.11195	1.5
187.14822	5.4
189.12775	4.0
191.08644	1.7
191.14383	2.5
192.09401	4.3
193.10159	11.2
194.10927	7.6
195.11739	20.5
195.13507	1.2
196.12578	5.7
197.13290	16.0
198.14038	1.3
199.14857	9.5
201.16478	2.3
203.14352	7.8
205.10158	4.1
206.10968	8.2
207.11760	13.4
207.13861	4.8
208.12454	7.5
209.13280	21.1
209.15186	1.0
210.14066	2.7
211.11287	1.0
211.14841	9.1
213.12854	1.8
213.16385	5.8
215.08473	1.4
215.14304	1.5
216.09297	1.4
217.10226	2.4
217.15961	1.4
218.10944	2.8
219.11719	7.9
220.12471	5.9
221.13297	15.6
221.15430	34.8
222.14069	4.0
223.11339	1.7
223.14812	9.5
224.15601	1.8
225.12865	1.4
225.16458	3.3
227.14388	2.0
227.17986	1.4
229.10219	2.2
229.16010	1.1
230.10896	2.2
231.11720	7.7
231.17586	1.4
232.12489	4.8
233.13284	9.0
233.15440	3.6
234.14162	3.6
235.14822	11.1
236.15567	1.5
237.16391	6.4
239.17953	5.4
243.11786	3.5
244.12544	3.4
245.13234	6.5
246.14052	4.0
247.14862	8.9
247.16989	2.1
248.15735	1.6
249.16386	5.5
250.17249	1.7
251.14211	1.1
251.17995	4.9
253.19507	5.3
257.13327	3.3
258.14078	3.1
259.14764	5.7
260.15656	3.4
261.16257	5.9
262.17264	1.8
263.17996	7.5
265.19504	7.8
269.13419	2.0
270.14130	2.3
271.14886	3.1
272.15646	2.4
273.16431	3.3
274.17072	2.4
275.17850	4.8
277.15976	0.9
277.19644	4.3
279.21262	2.6
281.19150	1.4
282.27994	1.3
283.14871	1.3
283.20551	1.7
284.15704	1.3
285.16217	2.3
286.19595	1.4
287.17990	2.9
288.18750	1.5
289.19431	4.6
291.21158	2.7
294.14044	1.3
295.14838	1.7
295.20493	1.1
297.16376	2.1
298.17422	1.3
299.17719	1.6
300.18506	1.4
301.19580	3.5
307.20831	1.3
309.16446	1.1
310.31192	1.2
311.17981	1.6
315.21170	2.4
317.22711	1.9
323.17877	1.3
327.21091	2.1
328.21924	1.6
329.22708	1.9
331.24292	7.0
341.22537	2.0
343.24219	1.4
347.24118	1.1
355.24255	1.6
357.25827	5.5
371.23648	1.3
379.24432	1.2
385.29010	4.1
407.29370	1.3
421.30469	1.1
425.28198	1.5
459.33136	1.4
473.34232	8.9
485.33948	2.2
491.33026	1.8
509.34119	3.0
547.39478	8.4
565.40466	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2283
Annotation	Bistratamide J
Peak:m/z	Relative Intensity
53.03936	2.6
55.01882	8.8
55.05521	15.8
57.07083	4.0
67.01869	2.2
67.05511	24.8
68.99786	10.5
69.03435	3.2
69.07070	20.8
69.92249	8.2
71.01368	2.6
71.05002	2.5
71.08646	3.6
79.05499	14.9
81.03422	8.0
81.07067	29.7
81.51657	1.6
83.04982	5.0
83.08630	13.3
84.89050	1.7
85.02893	3.0
91.05509	9.4
93.07055	17.5
95.04977	6.7
95.08617	28.3
97.02921	2.3
97.06519	8.9
97.10185	8.7
102.86256	2.1
105.07030	9.0
107.04948	5.5
107.08592	16.5
109.02888	6.2
109.06513	3.9
109.10165	17.4
111.00810	22.1
111.04441	9.8
111.08102	4.1
111.11745	2.0
115.06412	1.9
117.07096	2.4
119.08582	9.7
121.02874	9.2
121.06518	4.7
121.10141	14.4
123.04509	2.9
123.08057	4.4
123.11708	3.6
125.02358	4.1
125.05994	4.7
125.09679	2.5
127.03938	16.1
131.08594	5.5
133.10173	7.1
135.08112	5.0
135.11707	8.7
137.02332	6.3
139.03912	43.1
139.07509	4.3
139.11206	2.9
143.08638	2.3
144.63052	1.8
145.10135	3.4
147.11690	5.9
149.09627	5.1
149.13286	4.9
151.03912	5.5
153.01855	6.3
153.05499	5.5
153.09103	3.1
159.11746	3.7
161.05986	2.1
161.09766	2.0
161.13374	3.1
163.03937	3.3
163.14821	2.5
165.01817	2.5
165.05481	2.1
165.09106	2.1
167.07066	2.8
167.10704	4.0
173.13231	2.3
175.14836	4.5
177.01747	1.9
177.05585	4.3
177.16393	3.4
179.03357	3.2
181.08559	5.2
181.12260	2.5
195.10265	5.9
201.12704	2.5
205.05054	2.1
207.02943	7.7
209.00816	3.3
209.11757	5.9
217.05040	3.4
223.13271	7.8
231.02759	2.9
237.14857	4.6
237.18570	8.7
243.02953	3.5
243.35645	1.9
257.88632	2.0
265.18137	4.1
268.31711	2.0
277.18051	9.0
279.19583	35.6
289.17819	2.5
305.17505	8.0
307.19067	100.0
317.17285	2.6
323.22183	4.5
343.15402	2.5
345.17041	3.2
347.18549	8.0
349.20193	3.9
353.17325	2.8
371.18610	6.3
375.18060	8.7
381.17117	2.5
389.15729	3.4
391.21286	18.1
399.18054	8.2
401.19601	4.3
417.19101	18.5
427.17374	2.9
429.19412	2.9
441.18958	2.8
445.18484	5.3
455.16635	2.7
457.18402	14.1
459.20193	7.9
463.19586	4.1
465.19092	9.8
467.20688	4.4
469.18451	2.7
483.20004	9.9
487.19672	13.1
493.18576	18.1
499.19666	6.0
501.21066	6.0
503.22678	2.7
511.19690	25.4
517.20581	2.3
519.22162	4.8
529.20612	24.8
547.21826	91.2
548.22699	3.9
558.15460	2.6
565.22778	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11934	2.3
53.03946	5.7
55.01860	8.7
55.05507	11.5
56.40793	2.4
57.03436	4.8
63.56937	2.7
66.65139	2.6
67.05507	30.3
67.62654	2.4
68.12112	2.3
69.03410	4.1
69.07070	20.3
71.04961	4.3
71.57173	4.6
79.05497	31.9
81.03466	12.7
81.07063	87.7
83.04985	4.6
83.08612	10.5
85.02911	7.5
85.06550	3.1
91.05482	31.9
92.18607	3.0
93.07047	26.4
95.04969	10.2
95.08619	23.1
97.02908	4.8
97.06528	9.5
97.10156	3.6
99.01751	2.6
99.08077	3.9
105.07036	31.1
107.04953	7.9
107.08612	19.6
109.02866	6.9
109.06528	25.3
109.10164	9.4
111.04424	3.0
111.08095	5.5
117.07036	12.3
119.08595	23.6
121.06525	7.5
121.10149	14.0
123.04423	2.6
123.08056	10.1
123.11726	6.6
127.03936	13.6
131.08597	19.4
133.10133	18.2
135.08060	6.3
135.11723	8.2
137.09602	3.4
143.08554	4.6
145.05040	2.9
145.10149	12.1
147.08034	5.0
147.11687	20.6
149.09602	8.3
149.13257	10.6
151.11136	3.2
157.10132	4.2
159.11690	11.5
161.09596	4.7
161.13289	4.8
163.11171	9.4
163.14864	3.3
165.09299	2.7
165.12723	4.6
166.30634	3.0
173.13254	3.0
175.11208	3.9
183.11671	3.4
230.11331	2.3
236.07153	2.6
239.17982	2.7
247.20563	3.7
257.18982	8.3
275.20068	100.0
293.21115	29.6
335.22366	3.6
349.23737	58.8
359.22067	3.4
367.24881	45.1
383.22272	5.4
401.23203	14.1
419.24335	34.6
437.25500	20.2
564.40637	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	565.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13649	0.4
57.03452	0.8
62.41537	0.4
69.03417	0.8
71.04685	0.3
71.05004	3.3
71.56259	0.4
74.90873	0.4
83.04957	0.3
85.02916	5.9
97.02882	0.5
123.68690	0.4
127.03963	0.5
129.05479	1.3
156.08075	1.8
160.30603	0.5
166.06532	0.8
169.07631	15.5
171.06885	0.6
183.09187	4.3
184.07607	5.9
193.07579	3.5
211.08684	29.3
229.09738	32.8
239.08156	2.8
257.09235	100.0
258.09637	0.8
564.32428	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11443	4.9
55.01870	8.3
55.05518	25.6
57.03437	13.2
58.08218	5.2
61.93605	4.7
67.05506	69.7
69.03425	12.3
69.07077	34.7
71.04986	9.3
79.05505	53.2
81.03427	23.8
81.07065	100.0
83.04969	5.6
83.08599	11.3
85.02899	15.1
91.05485	51.6
93.07063	55.9
95.04971	16.3
95.08603	26.0
97.02883	8.7
97.06528	22.0
97.10151	4.5
103.03909	6.1
105.07031	46.4
107.04951	14.8
107.08591	30.6
109.02908	5.8
109.06503	21.7
109.10166	11.0
111.08095	6.2
117.07004	15.9
119.08578	36.9
121.06509	7.0
121.10134	19.8
123.04414	5.3
123.11703	9.5
127.03906	20.6
129.05475	7.3
129.06946	5.1
131.08582	16.0
133.10144	24.8
135.08080	9.0
135.11674	16.7
137.09601	6.5
145.10109	16.9
147.11687	16.0
149.09636	13.1
149.13219	15.4
151.11148	6.9
157.10146	5.8
159.11699	19.6
161.13263	6.3
163.11165	14.1
173.13251	10.2
177.12703	8.2
178.34883	5.3
181.12277	12.2
195.13815	14.8
249.14601	5.7
255.15730	8.7
257.19128	7.7
269.17465	17.4
275.20102	56.9
293.21176	6.2
325.16443	6.9
349.23749	69.8
367.24811	72.2
419.24310	10.3
564.40302	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	564.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62462	3.2
55.05514	9.1
56.67163	3.0
67.05503	6.1
69.03428	7.1
69.07074	6.1
70.06585	17.3
70.31814	10.7
71.75433	4.0
72.08192	3.6
74.29387	3.2
79.05472	9.1
81.03364	3.9
81.07060	17.8
85.02895	14.3
91.05490	11.1
93.07046	11.8
95.04959	5.2
95.08612	15.4
97.02905	7.9
97.06510	5.8
97.10165	3.5
103.05488	4.0
105.07049	23.9
107.04946	9.8
107.08612	17.8
109.06540	10.1
109.10185	6.6
119.08595	20.1
120.08136	4.4
121.06477	5.9
121.10130	11.0
123.08052	15.8
123.11668	4.0
125.05992	82.1
128.19516	3.2
130.06490	7.9
131.08578	12.4
133.06482	13.8
133.10126	10.5
135.08026	11.3
135.30902	4.0
137.09567	6.2
138.05487	6.3
143.08560	8.8
144.47227	3.5
145.10121	9.1
147.08073	25.0
147.11679	9.8
149.05977	8.8
149.09587	8.4
151.07552	18.9
153.05453	10.0
157.07614	8.6
157.10060	11.2
159.08020	6.1
159.11714	4.3
161.09622	11.6
163.07570	15.3
163.11163	14.0
164.07036	6.1
165.09149	28.5
165.12775	3.8
166.08711	4.1
169.10078	5.0
171.11739	6.2
173.13272	8.8
175.07536	15.8
175.08807	4.1
175.11237	6.8
177.09105	24.3
180.08562	4.6
185.09628	3.6
187.11272	5.9
187.14815	4.7
189.16438	4.2
191.07045	6.0
193.08603	19.0
197.13330	7.8
199.14784	7.4
203.10651	6.0
207.10223	10.1
213.16425	4.5
215.14285	19.2
217.12381	22.0
217.15868	37.2
222.47430	4.0
227.14258	8.5
231.17450	5.0
233.15379	34.0
235.16931	4.6
239.14276	4.5
241.15904	11.1
243.13757	12.6
244.09706	4.9
245.15407	30.8
257.15353	12.2
259.16965	16.2
261.14877	41.6
263.16556	18.5
269.15353	9.6
275.16531	18.4
277.18048	54.5
285.14807	10.6
287.16476	23.1
293.17535	5.2
295.19040	100.0
300.13760	5.0
303.15918	79.6
305.17487	91.4
321.17017	69.7
323.18515	49.9
339.13733	4.8
339.18030	96.5
349.16336	21.3
350.15182	5.9
367.17471	39.4
385.18680	29.8
494.36557	3.7
562.36932	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	563.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	3.0
53.03963	16.0
55.01872	3.9
55.05268	3.0
55.05519	48.3
55.13084	2.4
56.05026	3.4
57.03443	16.4
57.07069	13.7
60.04525	2.6
65.03933	4.5
65.48593	2.3
67.05174	5.1
67.05513	80.2
69.07080	46.3
70.02684	2.3
71.08636	7.8
71.56837	2.2
71.57245	4.1
77.50392	2.6
79.05501	91.0
81.03424	9.3
81.07063	80.5
82.06573	5.7
83.04988	14.0
83.08630	28.4
84.74983	2.4
85.06535	3.8
88.02219	5.0
88.05875	2.6
91.05488	67.5
93.06470	4.8
93.07056	78.8
94.06557	10.8
95.04974	29.4
95.07384	4.7
95.08051	3.7
95.08619	55.3
97.06543	10.7
97.10184	15.8
99.08135	2.4
101.05965	2.6
103.24747	2.4
105.07042	40.1
107.04953	8.1
107.08606	27.9
109.06521	6.3
109.10165	18.6
111.11716	3.7
117.07030	7.4
119.08588	29.0
121.10160	15.6
122.01173	2.6
123.08079	4.9
123.11677	6.3
125.09631	2.7
128.06192	3.8
129.07011	16.9
133.10114	12.5
135.11667	9.3
137.64174	2.8
137.94217	2.8
143.08557	9.2
145.10132	13.9
147.11696	41.0
149.13266	3.9
161.09642	3.2
161.13304	14.0
171.11696	26.2
189.12764	10.3
205.44005	3.2
207.13847	34.9
221.21550	2.8
225.14801	4.4
237.11171	3.0
250.25156	3.6
251.25705	3.8
262.25302	38.1
263.25650	33.9
265.25311	7.1
280.26563	3.8
281.17514	66.8
339.24899	4.3
339.28995	83.2
545.42163	100.0
545.50433	5.5
563.39160	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	563.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.3
53.73828	0.2
55.05511	1.1
56.05035	2.7
57.07081	0.5
67.05512	1.2
68.96386	0.2
69.03427	0.9
69.07070	1.4
71.04994	0.2
71.56851	0.3
72.14471	0.2
79.05499	0.4
81.03416	0.6
81.07056	1.1
82.06572	0.5
83.05003	0.2
83.08629	0.6
84.08148	100.0
85.02908	2.0
85.06544	0.4
85.08480	0.6
86.09689	0.2
91.05499	0.2
93.07059	0.5
95.04992	0.2
95.08597	0.9
96.36002	0.2
97.02890	0.5
97.06503	0.2
97.10179	0.5
99.08081	0.3
105.01878	0.3
105.07017	0.5
107.08601	0.6
109.02879	0.3
109.08560	0.2
109.10154	0.4
110.06083	0.2
112.07619	0.6
113.09615	0.2
113.14788	0.2
121.10166	0.5
123.11742	0.5
127.03924	0.5
128.07109	0.5
129.10251	2.1
130.08643	10.0
133.02917	0.2
135.11676	0.3
137.13249	0.2
147.11276	3.7
149.05940	0.2
149.13199	0.2
164.10732	0.2
173.13235	0.2
176.10735	0.4
177.53978	0.2
187.07632	0.4
261.08594	0.3
287.10330	0.6
289.05457	0.3
320.29477	4.2
337.32022	0.3
338.30530	1.3
383.32687	21.4
384.33310	0.4
401.33755	30.0
402.34091	0.4
429.34418	0.2
477.24472	0.5
479.34796	0.6
519.25586	1.2
563.24512	5.4
563.38464	0.3
564.24463	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06975	4.0
55.01871	7.1
55.05501	13.0
57.03424	8.6
57.54726	4.7
59.10640	3.7
63.92737	3.8
67.05515	38.9
69.03434	5.4
69.07058	10.2
69.40578	3.5
71.56325	5.5
75.71227	3.6
79.05508	22.4
81.07065	45.9
83.04973	14.9
85.02933	5.2
91.05492	44.3
93.07047	26.6
95.04967	9.2
95.08610	17.4
105.07049	35.6
107.04936	6.7
107.08617	31.3
109.06486	6.0
109.10165	33.5
117.07018	6.4
119.08576	10.2
121.06528	6.1
121.10197	6.1
122.61605	4.5
123.11739	6.6
131.08575	11.3
133.06509	7.5
133.10139	58.2
135.08026	6.8
135.11687	4.9
145.10139	4.2
149.09608	5.9
151.11229	31.2
159.07971	6.0
161.09613	9.2
184.07304	6.7
204.50830	4.4
253.14383	95.3
269.14044	4.3
271.15402	23.4
273.18488	21.4
291.19720	10.3
347.22388	6.7
365.23257	100.0
442.23120	5.8
454.51443	4.9
511.57367	5.1
544.32483	4.3
562.34369	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	563.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93585	1.2
56.91558	1.2
56.96571	18.5
69.03445	1.8
71.55806	2.0
71.95251	1.9
84.96039	5.7
85.02936	1.9
91.05529	1.5
97.02921	3.6
98.97594	49.5
101.00906	1.4
103.35966	1.2
104.70491	1.2
107.04980	2.9
109.02924	1.4
110.97581	18.9
112.07586	6.7
112.99134	2.0
116.98634	24.6
119.01932	1.4
119.04939	4.1
123.04443	7.0
127.03966	1.2
128.98625	24.4
131.00206	3.1
131.01926	1.9
134.99689	7.4
135.04460	3.2
140.98622	1.6
143.00204	5.0
144.98103	1.7
145.01541	1.4
145.03569	2.5
146.14406	1.3
146.99672	17.2
147.04408	11.5
148.04749	1.3
153.00874	1.2
155.01967	1.4
156.03320	3.9
158.06680	4.1
158.99730	5.9
160.99205	5.4
161.01228	8.4
162.06148	1.3
162.99261	2.1
163.02536	2.3
163.03896	20.9
165.00763	1.8
168.75574	1.1
169.01863	1.7
169.03461	1.1
170.99629	8.1
173.02945	1.8
174.04420	4.4
176.07755	1.9
177.00766	8.0
179.00180	30.7
179.02396	2.3
181.01909	1.4
181.03470	40.2
184.02104	1.2
186.04407	9.4
188.07776	1.7
189.00739	9.1
193.03413	1.6
195.05098	1.5
197.01242	94.9
199.04561	12.9
201.00766	5.3
203.02081	1.3
203.04016	1.9
204.05460	8.5
205.03522	5.9
207.01721	1.3
207.05101	5.5
211.02838	1.8
213.04260	1.4
215.02293	23.4
217.03476	3.3
219.01787	47.3
219.05013	2.6
220.02647	1.5
221.01245	1.9
221.02992	21.0
221.05132	6.3
223.04622	11.2
225.00719	1.8
225.10783	1.8
227.02298	1.7
229.03688	2.0
231.05151	2.0
235.04575	4.0
237.00797	3.3
237.02844	82.0
239.02145	13.8
239.03990	2.5
241.03535	5.4
245.02917	1.8
247.04700	4.5
249.06146	2.2
251.12357	8.1
255.01660	3.2
255.03983	4.8
257.01141	2.6
257.03214	7.3
259.04559	15.4
260.04575	2.1
263.04245	2.1
263.12540	3.2
269.03143	1.6
269.13492	4.3
271.04797	2.6
273.02808	3.0
275.02103	6.1
277.05612	2.4
279.01569	2.5
279.04282	1.4
281.05481	1.4
281.13492	13.7
287.04086	1.9
293.03076	1.3
295.06757	3.1
297.02539	2.0
297.11093	1.7
299.04196	4.5
305.05099	2.2
307.06815	50.5
314.08710	2.1
317.05280	6.7
321.02707	1.6
323.04416	33.4
325.05234	6.6
328.10196	1.5
332.10141	5.9
335.06088	2.7
341.05460	28.4
343.08627	4.8
346.11377	4.1
347.06113	7.1
350.11148	9.6
351.07727	1.3
359.06509	53.0
364.06842	2.0
365.07343	19.9
382.08157	3.5
383.07809	6.0
390.08752	4.0
401.06854	2.6
417.07108	2.5
423.06186	4.3
441.08618	2.1
469.08411	2.3
487.09308	5.5
499.57434	1.2
505.10251	100.0
506.10391	2.0
563.10931	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	562.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12980	5.3
55.01871	15.5
55.05508	14.6
61.24761	4.9
63.65208	4.6
64.31124	5.8
67.05514	55.5
69.03429	15.9
69.07068	16.3
69.52177	34.0
71.05003	9.2
75.20248	4.9
79.05491	40.1
81.03435	31.4
81.07066	66.0
83.04992	19.9
83.08591	8.8
85.02926	6.3
85.06557	9.7
91.05486	58.8
93.07056	40.5
95.04971	13.6
95.08614	20.5
97.02913	7.9
98.20810	9.5
99.04490	8.8
103.03802	5.4
103.05430	4.9
105.07041	45.2
107.04966	13.0
107.08598	43.5
109.02892	12.5
109.06534	11.8
109.10169	61.4
111.08083	6.6
117.07024	10.3
119.08580	18.8
121.06491	5.3
121.10135	9.6
121.59238	5.0
123.08085	8.0
123.11722	18.4
127.03917	29.4
129.07030	7.4
131.08574	17.6
133.06534	5.4
133.10146	100.0
135.08110	10.4
135.11732	7.1
143.08554	7.6
147.11755	6.9
149.09644	10.7
151.11185	47.8
169.12276	15.0
179.10672	6.7
215.12773	12.7
220.29041	4.4
253.14362	71.4
262.26233	5.3
263.20102	15.9
271.15375	12.0
271.67798	5.2
273.18655	30.6
285.22119	4.8
291.19550	44.5
323.15039	14.5
341.16010	28.8
365.23236	55.6
435.23987	23.1
453.24899	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	562.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.7
54.57346	3.1
55.01866	5.9
55.05500	15.0
57.03428	3.8
67.05521	21.1
69.03434	11.3
69.07079	23.3
70.26077	11.7
71.05000	3.5
71.67242	2.9
72.27619	2.8
74.18208	3.0
79.05523	15.6
80.24431	3.1
81.03435	10.3
81.07061	27.2
83.04955	5.1
83.08637	9.0
85.02895	8.3
91.05478	15.1
93.07051	20.0
95.04984	8.5
95.08608	14.1
97.02890	9.0
97.10161	16.0
105.07039	9.9
107.04962	8.6
107.08603	12.8
109.10148	9.8
117.07059	6.0
119.08586	11.7
121.10201	4.6
123.08076	4.0
125.09663	9.2
127.03964	4.0
131.08565	9.0
133.10152	4.0
143.08478	3.2
145.10124	4.2
147.04442	15.3
147.08076	7.4
148.04794	6.6
163.03926	3.4
164.49039	3.5
176.22131	3.4
189.11249	6.7
193.12259	5.7
223.13316	16.2
273.18488	13.6
285.16965	10.2
291.19531	79.0
299.59714	3.0
311.24799	3.5
355.18884	3.0
365.23251	100.0
383.87576	3.2
424.22055	6.9
440.31860	6.8
442.22928	3.8
498.25742	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	562.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81025	1.5
53.03937	2.5
55.01872	2.5
55.05518	8.0
57.03424	1.3
57.61412	1.1
57.98472	1.4
67.05508	10.6
69.03426	5.6
69.07070	10.3
70.06574	1.3
71.57031	2.6
79.05495	9.7
81.03412	5.8
81.07074	9.8
82.45600	1.3
83.08620	4.7
85.02910	3.1
91.05487	6.4
93.07045	7.6
95.04961	4.2
95.08610	4.9
97.02902	3.9
97.10203	6.3
101.44683	1.3
105.07024	5.1
107.04964	4.3
107.08595	5.6
109.02860	4.1
109.06559	2.0
109.10148	2.6
117.06992	3.5
119.08603	4.9
121.10149	3.9
123.08027	1.4
124.84251	1.3
125.09586	2.6
127.03924	10.3
128.06253	1.7
129.07016	2.3
131.08588	3.1
133.06520	1.4
133.10126	2.0
135.08057	2.6
135.11670	2.6
143.08546	2.7
145.10133	2.8
147.08037	3.2
161.09673	1.8
189.11208	2.9
223.13379	8.8
244.35356	1.6
249.14944	2.0
251.44287	1.2
273.18304	6.5
285.16864	2.0
291.19553	100.0
365.23279	20.1
435.23694	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	561.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	3.6
53.03938	5.9
55.01877	9.2
55.05518	46.8
57.03441	6.3
57.07084	4.0
65.03931	3.2
67.05173	5.1
67.05514	78.4
69.03455	3.8
69.07076	21.6
69.36863	3.0
69.37159	27.5
69.78006	2.8
79.05499	51.4
81.03417	12.0
81.07063	69.3
83.04984	20.9
83.08620	25.7
85.06524	5.7
91.05488	42.7
93.07059	52.0
95.04967	9.5
95.08609	40.3
97.02895	3.2
97.06516	9.2
97.10181	30.9
105.07040	42.9
107.04937	5.3
107.08596	32.6
109.06524	4.3
109.10156	28.4
111.04452	11.6
111.08099	10.4
117.07018	22.2
119.08581	35.1
121.06523	4.3
121.10162	21.1
123.08112	4.3
123.11717	8.6
125.09669	28.9
128.06201	3.2
129.07025	12.1
131.08592	33.2
133.10132	26.5
135.08080	7.3
135.11728	19.9
137.09596	5.6
137.13269	3.7
141.06931	3.0
142.07648	3.7
143.08551	12.3
145.10152	30.3
147.11719	16.1
149.09612	5.8
149.13223	6.6
153.12770	12.4
155.08586	3.7
157.10161	10.1
159.11697	17.5
161.09634	3.0
161.13271	10.9
163.11189	11.8
163.14862	4.8
169.10173	6.3
171.11653	11.2
173.09676	3.8
173.13318	10.3
175.14856	3.6
181.12245	7.0
183.11710	8.6
185.13220	5.7
187.14743	5.1
189.11215	14.3
191.10654	5.6
193.12193	3.4
199.14854	4.9
201.16362	4.7
209.11731	7.2
211.13168	4.2
223.14818	4.5
227.12769	29.7
233.15166	4.2
241.19698	3.9
251.16591	3.9
259.20810	5.4
261.22128	13.2
277.21725	4.1
279.15781	6.6
283.15546	15.8
283.20499	3.7
285.16870	3.9
293.86270	3.2
299.23749	22.5
301.21600	7.3
315.23148	4.5
317.24658	15.9
335.25827	8.4
423.32318	4.1
433.30905	9.1
451.32333	15.2
469.33075	13.8
474.43988	3.9
487.34082	10.1
515.37109	4.1
525.36169	18.3
543.36829	100.0
544.36493	4.6
561.38013	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.3
55.01867	11.5
55.05258	3.7
55.05516	62.7
57.03432	9.9
57.07067	6.1
59.05005	3.9
64.58177	2.7
65.03920	4.4
67.05509	92.8
69.03421	3.1
69.07073	27.4
69.38081	6.2
69.38490	21.9
71.04985	6.3
79.05500	71.1
79.64298	2.8
81.03423	11.0
81.07059	89.8
83.04986	18.1
83.08618	33.5
85.02884	3.3
91.04967	3.8
91.05489	48.1
93.07050	64.1
95.04972	9.6
95.08044	4.3
95.08610	56.3
97.06523	9.0
97.10170	39.0
98.21573	3.6
105.06377	4.4
105.07041	54.4
107.04952	6.9
107.08601	45.8
109.06510	8.3
109.10188	25.9
111.04447	12.9
111.08076	8.1
115.05413	4.6
116.31245	2.7
117.07034	25.6
119.08585	38.2
121.06519	6.5
121.10149	24.1
123.08075	5.2
123.11716	10.1
125.09634	27.4
129.06985	15.1
130.07817	2.9
131.08580	33.3
133.10133	29.5
135.08076	6.3
135.11703	18.6
143.08565	11.5
145.10141	39.9
147.08084	4.2
147.11700	25.1
148.42920	2.9
149.09604	3.6
149.13260	7.9
153.12714	7.0
155.08578	6.5
157.10159	15.6
159.11729	21.1
161.13269	10.6
163.11209	15.4
163.14828	6.0
169.10123	7.0
171.08058	2.9
171.10320	4.2
171.11682	11.5
173.09576	4.4
173.13213	17.5
175.14803	4.0
181.10109	3.3
181.12177	6.1
183.11726	7.6
185.13278	8.5
187.14847	6.8
189.11229	18.5
189.12659	3.7
191.10651	5.3
193.12160	3.8
195.11841	3.5
197.13292	5.7
199.14774	5.5
201.16382	3.4
209.11594	5.0
209.13383	4.8
211.14951	5.0
225.16519	3.4
227.12755	33.7
235.16751	3.1
241.19592	3.5
243.21094	3.6
245.13695	3.6
246.26985	2.8
259.20612	5.7
261.22141	22.5
275.20139	3.9
277.21771	6.1
283.15369	12.9
297.22064	4.8
299.23712	18.9
301.21655	5.3
303.37634	2.9
315.23285	4.2
317.24805	19.2
333.24155	6.7
335.25806	16.7
433.30841	7.0
451.32300	13.3
469.33023	16.7
487.34116	12.7
515.37146	6.1
525.35529	23.3
532.16974	3.2
543.36804	100.0
561.37909	66.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.6
55.01870	8.6
55.05514	44.7
56.38159	2.2
57.03432	7.7
57.07084	3.2
67.05510	75.9
69.03428	3.0
69.07069	21.2
71.04988	5.3
79.05499	50.9
81.03414	11.7
81.07063	73.0
83.04995	14.7
83.08620	28.7
85.06541	3.1
91.05482	40.3
93.07053	52.8
95.05011	9.9
95.08612	46.7
97.06528	5.3
97.10172	37.4
98.21517	4.3
105.07037	40.3
107.04936	6.7
107.08601	34.1
109.06517	6.3
109.10165	27.9
111.04438	10.5
111.08093	7.5
117.07021	22.6
119.08572	27.4
121.06489	8.1
121.10139	21.2
123.08067	5.1
123.11716	9.7
125.09665	24.0
129.07048	15.6
131.08563	33.6
133.06509	2.6
133.10127	22.6
135.08081	6.1
135.11716	16.9
137.13281	2.5
139.11191	2.2
141.06999	3.5
142.07819	2.0
143.08572	9.7
145.06476	3.0
145.10120	25.0
146.70927	1.9
147.11734	17.1
149.09633	2.7
149.13272	10.2
151.11153	2.4
153.09109	2.0
153.12761	8.7
155.08569	6.6
156.14815	2.1
157.10152	10.4
159.11693	17.3
161.09750	2.3
161.13264	9.5
163.11214	14.5
163.14861	4.2
167.08566	2.7
169.10144	8.1
171.10365	2.2
171.11655	10.3
173.13257	16.2
175.11333	3.0
175.14841	5.4
181.12289	7.4
183.11728	2.9
185.13248	5.0
187.11209	2.5
187.14815	7.7
189.11296	16.9
191.10657	5.8
193.12286	3.8
195.11627	3.8
197.13284	5.3
199.14859	7.7
201.16444	2.6
209.11624	3.1
209.13353	4.7
211.13155	3.0
211.14922	6.4
215.14348	2.3
227.12788	39.8
241.19450	3.4
243.21147	2.8
245.13837	3.8
259.20599	4.6
261.22153	15.7
267.15939	4.6
277.21646	4.3
279.23361	3.5
283.15445	16.3
299.23752	24.6
301.21561	8.2
315.23337	4.5
317.24710	15.2
333.24286	6.9
335.25879	10.6
373.27869	2.5
433.30753	10.1
451.32074	19.9
456.60175	2.4
469.33408	16.6
487.34225	12.4
525.35852	22.8
543.36865	100.0
561.37830	52.9
576.52466	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	561.379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.6
55.01866	8.8
55.05267	3.9
55.05516	58.2
57.03436	8.4
59.04997	3.5
65.03944	4.2
67.05173	5.8
67.05508	82.0
69.03419	4.5
69.07079	30.7
70.76672	7.5
71.04996	6.0
79.05051	4.7
79.05496	60.2
81.03416	14.9
81.06581	4.5
81.07059	90.7
83.05004	17.3
83.08615	29.1
85.02901	3.5
85.06548	4.9
91.05487	48.0
93.07050	55.9
95.05007	13.1
95.08051	4.5
95.08615	62.2
97.06519	9.4
97.10169	34.7
98.20861	2.8
100.30917	3.0
103.05450	3.4
105.07032	44.2
107.04963	9.4
107.08601	50.7
109.06525	9.2
109.10159	37.7
111.04452	13.1
111.08074	11.5
117.07028	24.5
119.08590	37.7
121.06500	6.6
121.10149	30.2
123.08129	3.5
123.11720	11.3
125.09644	30.9
128.06204	3.0
129.06996	16.3
131.08583	41.7
133.10138	31.7
135.08035	10.9
135.11700	27.5
137.09605	5.3
139.03929	3.2
142.07796	4.3
143.08641	16.1
145.06540	3.1
145.10118	34.5
147.11714	18.5
149.09622	7.3
149.13245	12.2
153.12747	9.9
155.08559	6.8
157.10117	13.3
159.11714	20.8
161.09723	5.4
161.13242	11.7
163.11214	16.9
163.14792	4.3
165.12971	2.9
167.08604	3.3
169.10121	9.3
171.11699	12.4
173.09676	6.4
173.13329	15.0
175.11288	3.8
175.14873	3.8
181.10117	4.8
181.12244	10.5
183.11685	6.4
185.13257	4.7
187.14757	6.8
189.11267	19.1
191.10690	4.5
191.14212	4.2
193.12206	5.1
195.11713	2.7
199.14874	5.4
201.16376	4.1
209.11613	4.2
209.13347	4.5
211.13197	4.6
222.10548	3.1
227.12787	38.8
241.19676	3.4
243.21071	3.9
245.13910	4.0
251.16357	6.9
256.62561	2.8
259.20697	6.2
261.22284	14.1
262.16763	2.8
265.19495	3.8
267.15915	3.9
273.22180	3.1
275.16345	2.7
277.21631	3.7
279.15921	12.1
279.23383	4.0
283.15353	16.7
284.48645	3.2
293.17355	5.7
297.22296	3.6
299.23657	20.4
300.34665	2.6
301.21616	5.4
315.23248	7.1
317.24869	15.6
333.24124	5.6
335.25775	11.9
423.32571	4.6
433.30945	10.7
451.32025	18.3
469.33401	17.5
481.38803	2.8
487.33984	11.2
515.37616	6.2
525.35541	22.5
543.36853	100.0
561.38013	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	560.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.1
55.05516	24.0
56.65143	3.1
57.03437	4.5
57.07065	11.1
58.21751	3.2
60.40054	3.2
65.34308	3.6
67.05515	91.2
69.07076	25.2
79.05505	51.2
81.07063	86.5
83.08606	14.1
85.02903	4.8
91.05492	35.5
93.07053	61.6
95.04974	6.7
95.08051	6.1
95.08617	86.5
97.06509	6.2
97.10188	5.7
99.08102	3.7
105.07056	26.0
107.08601	47.4
109.06509	3.5
109.09450	4.6
109.10165	44.3
117.07049	9.0
119.08575	20.9
121.10155	45.1
123.11696	12.1
125.09595	3.8
131.08594	27.2
133.10138	15.4
135.11702	22.3
137.13268	4.7
145.10156	20.7
146.37660	3.4
147.11723	9.5
149.13260	12.7
151.14825	7.8
159.11726	9.5
161.13307	6.3
163.11281	6.9
163.14824	13.9
165.16371	4.5
172.79066	3.5
173.13271	15.7
175.14812	9.5
176.36279	3.0
177.16362	12.7
187.14850	9.6
189.16365	7.0
191.14270	4.3
191.17926	18.4
201.16371	8.3
205.15802	5.7
205.19571	5.7
215.17955	6.0
271.24243	39.9
285.77451	3.6
289.25314	100.0
332.66064	3.9
363.28955	26.6
366.84201	3.8
381.30115	29.2
402.12424	4.3
453.69031	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	561.3035
Annotation	13beta,29-Dihydroxymilbemycin A3
Peak:m/z	Relative Intensity
55.01857	0.6
55.05510	1.3
67.05509	4.3
69.07054	1.4
70.63261	1.1
70.63614	1.0
79.05501	3.2
81.07044	4.5
83.04987	0.5
83.08633	0.9
89.19986	0.4
91.05489	2.7
93.07033	3.4
95.04897	0.6
95.08634	3.2
97.06521	0.7
105.07040	2.1
107.08620	2.4
109.02875	0.5
109.06494	0.9
109.10169	2.0
111.04435	0.5
117.07011	1.2
119.08607	1.6
121.10155	2.0
129.07001	1.0
131.08588	1.0
133.10146	1.1
135.11740	0.7
145.10143	1.3
147.11649	1.2
147.92339	0.5
149.09604	0.7
149.13206	0.5
161.13210	0.7
171.11781	0.6
203.05309	0.6
203.87672	0.6
208.06532	0.5
210.83963	0.5
223.95461	0.5
275.20331	0.7
303.23334	0.6
325.20020	0.7
424.81439	0.5
451.31882	0.5
525.36371	0.6
543.36743	1.9
561.30353	100.0
562.30756	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.38
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	18.4
62.36766	14.0
63.86083	13.4
67.05508	61.0
70.63145	33.0
70.63478	15.2
79.05505	37.5
81.07057	53.9
91.05485	24.5
93.07040	48.2
95.08597	29.8
109.10175	17.2
119.08616	18.9
121.10143	30.3
133.10133	17.2
135.11685	17.8
149.13246	17.2
163.03896	13.8
243.21074	15.9
261.22189	51.2
291.19867	20.5
475.47467	16.6
548.74823	14.4
560.37024	41.1
561.30188	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	25.0
57.03445	6.8
57.07093	8.3
64.41529	5.1
67.05511	26.1
69.03423	24.6
69.07065	19.6
71.04984	14.9
71.08835	9.4
79.05496	7.7
81.03419	20.3
81.07050	17.7
83.04967	17.3
83.08646	7.7
85.02909	35.7
85.06075	6.4
85.06551	100.0
87.00823	14.2
91.05466	12.3
93.07036	17.6
95.04964	12.3
95.08623	41.2
97.02892	15.4
97.06523	10.1
98.00616	5.4
99.04447	32.2
99.08099	73.4
100.04761	8.1
105.01872	6.3
105.07032	29.8
107.08597	37.2
109.02875	14.1
109.06501	7.9
109.10163	12.8
113.09653	5.3
116.24874	5.6
119.08575	31.2
120.08896	6.4
121.10152	46.0
123.11671	13.3
125.09589	11.6
127.03893	21.7
133.10097	33.8
135.11678	10.9
139.11169	19.9
143.08539	6.3
145.04942	6.9
145.10126	11.4
147.08061	5.4
147.11755	31.4
148.12076	6.1
155.10696	13.2
159.11700	14.2
165.12715	6.5
171.11752	8.6
173.13258	13.6
175.14818	21.0
177.16473	10.7
184.38889	4.8
185.13295	9.6
199.14841	13.0
201.16437	8.7
203.14325	7.9
241.19463	12.2
245.19118	7.6
258.19299	6.2
259.20605	83.1
277.21664	26.2
478.68600	5.5
525.27039	40.1
555.11652	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	560.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	52.1
57.03414	18.2
57.07079	25.6
67.05512	93.7
69.07072	45.3
79.05503	63.9
81.07057	100.0
83.08607	30.0
91.05471	55.2
93.07037	98.3
95.04951	19.5
95.08601	69.4
105.07050	31.2
107.08585	64.1
109.10147	47.6
119.08611	29.7
121.10158	53.6
131.08556	35.1
133.10144	31.8
134.48756	18.2
149.13222	21.0
231.16055	28.6
232.16339	22.4
243.21165	20.6
261.22189	99.1
318.84256	21.2
329.73108	20.3
335.25861	30.1
353.26825	29.2
440.83716	19.8
560.36749	36.2
561.30298	50.4
573.26013	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	560.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.8
55.05513	11.1
57.07066	4.8
63.04234	5.6
67.05518	24.3
69.03413	14.6
69.07054	8.5
71.02968	10.5
76.07983	4.9
79.05516	8.8
81.03437	10.7
81.07062	16.6
85.02916	19.1
85.06554	100.0
91.05507	7.7
93.07034	12.2
95.08617	20.6
97.02926	11.0
99.04408	6.0
99.08099	54.9
105.07043	19.3
107.07377	6.6
107.08572	9.1
109.02910	9.1
109.06512	4.7
109.10167	10.6
119.08607	19.9
121.10151	23.0
122.09650	33.9
123.08107	6.4
123.10038	5.7
123.11787	4.9
125.05949	6.5
125.09634	5.7
127.03921	12.1
133.10162	18.1
137.09631	6.6
143.08525	7.0
145.10097	9.1
147.11668	10.4
149.02303	5.6
149.09674	7.7
151.11212	5.9
152.02768	5.2
157.10156	7.7
159.11707	9.3
161.13232	6.2
165.12808	5.1
171.11748	7.2
173.13344	7.9
175.14893	10.5
185.13295	6.9
199.14812	6.9
201.16438	9.3
217.15898	5.0
241.19550	9.5
259.20575	67.4
277.21655	15.3
293.12067	7.9
294.12323	11.7
312.13422	11.7
312.17001	5.8
380.89432	6.3
417.25876	5.7
437.22357	7.7
462.73016	5.2
525.27063	24.3
560.29742	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	560.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37172	2.7
53.03948	3.4
54.30420	3.0
55.05510	6.1
57.07067	10.5
67.05512	24.0
69.03417	12.8
69.07062	8.7
69.82504	13.5
71.04988	4.9
79.05486	4.2
81.03399	11.3
81.07047	11.3
83.04966	4.4
85.02919	16.1
85.06068	5.4
85.06553	84.8
87.00828	10.3
91.05476	5.1
93.07062	6.5
95.08605	16.0
97.02882	7.3
99.04453	5.5
99.07487	5.3
99.08105	84.0
105.07032	12.6
107.08583	9.0
107.96635	3.1
109.02878	12.4
109.10163	8.5
119.08575	17.2
121.10150	19.6
123.11679	5.6
125.09644	5.9
125.43790	3.3
127.03911	18.3
129.12770	3.8
131.08640	4.6
133.10123	13.8
135.11670	3.7
145.10144	6.1
147.11707	17.8
151.11166	4.6
157.10094	5.0
159.02907	7.2
159.11708	8.9
161.13237	4.3
165.12788	12.2
171.11699	5.8
173.13301	4.3
175.11185	3.3
175.14830	5.1
179.14311	10.0
185.13258	10.8
199.14740	5.0
201.16499	9.0
213.79016	3.2
241.19649	8.0
259.20593	100.0
277.21582	8.8
331.19757	3.3
525.26935	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02994	2.2
53.03941	4.9
55.01870	3.8
55.05516	17.9
57.03448	3.0
57.07076	4.5
62.06175	2.3
67.05515	16.6
69.03428	13.0
69.07060	11.3
69.23204	13.2
69.23629	13.5
73.02921	4.5
79.05499	4.4
81.03423	8.3
81.07073	11.5
82.55819	2.4
83.04986	7.3
83.08625	3.4
85.02905	20.0
85.06548	80.1
87.00821	7.6
91.05482	6.3
93.07064	16.8
95.04964	5.5
95.08615	27.5
97.02870	7.8
97.03464	2.5
97.10168	5.2
99.04465	5.3
99.07471	4.5
99.08097	56.9
101.06004	2.8
105.01851	7.1
105.07039	16.6
107.08612	28.7
108.13017	2.8
109.02866	8.3
109.06528	4.0
109.10163	12.7
113.09644	4.9
119.08586	19.9
121.10146	42.9
122.09686	3.3
123.08089	5.9
123.11687	8.7
125.09631	12.4
127.03948	14.5
131.08560	3.1
133.10146	24.4
135.11687	12.9
137.09604	2.8
137.13284	3.2
137.26199	2.8
138.37251	2.3
139.11148	18.8
143.08586	2.3
143.96239	2.6
145.04918	4.9
145.10130	9.7
147.11697	24.2
149.09647	3.0
149.13268	5.4
151.11221	3.0
157.06320	2.8
157.10150	7.1
157.12305	5.6
159.02934	4.5
159.11697	5.0
161.13271	4.3
165.09126	2.7
165.12749	4.4
171.11711	5.9
173.13261	3.9
175.14822	11.9
177.16409	6.8
179.14326	2.7
185.13272	9.9
199.14856	6.8
201.16373	12.4
203.14375	3.5
216.35078	2.4
231.05154	3.2
241.19553	8.5
259.20566	100.0
277.21667	18.7
344.39023	2.7
392.08743	2.6
525.27057	45.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26305	1.9
52.86481	1.8
53.03953	11.3
55.01864	6.3
55.05515	26.6
57.03441	10.2
57.07072	3.2
65.03947	6.0
67.05508	90.4
69.03431	2.2
69.07069	21.5
70.70978	4.5
71.04987	3.7
73.06570	3.1
79.05498	100.0
81.03411	8.6
81.07063	83.6
83.04990	13.4
83.08622	12.8
85.06558	3.9
91.05488	78.7
91.68329	1.9
93.07054	95.8
95.04975	22.0
95.08610	56.1
97.06540	7.2
97.10184	8.2
100.37309	2.0
105.04521	3.7
105.07034	54.8
107.04958	7.5
107.08607	33.7
108.20613	2.0
109.06506	5.8
109.10167	20.2
111.08077	4.2
117.07037	16.1
119.08587	35.3
121.06485	2.6
121.10148	20.2
123.08062	8.0
123.11742	4.8
127.07572	2.2
128.06212	4.1
129.07024	17.1
131.08586	15.6
133.10155	16.1
135.11697	15.9
143.08549	11.0
145.10130	19.2
147.08051	2.7
147.11694	36.2
149.13281	5.5
155.08533	3.4
157.10103	4.8
159.11702	6.8
161.09634	2.7
161.13264	14.6
163.14890	2.5
169.10114	3.4
171.11711	27.5
173.13277	5.9
177.12778	3.3
179.14391	3.5
183.11671	2.7
185.13226	3.0
189.12762	6.5
197.13374	3.6
201.16405	2.1
202.25380	2.2
207.13815	24.8
241.19312	1.7
261.22220	13.6
279.15884	3.6
281.17477	40.9
335.25854	47.4
449.34283	3.9
467.35446	3.8
541.38885	64.6
542.38977	2.6
549.78772	2.0
559.40369	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	559.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.8
55.05520	28.8
57.03452	14.7
62.31117	2.3
64.46169	2.8
65.03925	4.5
67.05512	100.0
69.07082	22.9
70.70523	7.4
71.04967	2.6
74.04308	2.4
77.03899	2.8
79.05502	86.1
79.05965	4.8
81.03413	5.3
81.07066	71.8
83.05005	13.9
83.05396	2.5
83.08620	10.5
85.06553	3.2
91.05491	67.8
93.06469	5.0
93.07053	87.7
95.04979	22.2
95.08617	48.9
97.06514	6.1
97.10181	6.1
105.04525	2.9
105.07040	54.9
107.04930	7.4
107.08608	34.9
109.06526	8.4
109.10161	16.7
111.08131	2.9
117.06984	15.8
119.08604	37.9
120.08938	2.4
121.10148	18.4
123.08066	6.4
123.11682	4.2
129.07042	16.2
131.08575	14.6
133.10133	17.2
135.11697	11.2
141.07040	3.3
143.08594	12.6
145.10149	19.3
147.11694	42.2
149.13287	6.0
157.10123	5.0
159.11699	8.5
161.09653	3.8
161.13277	13.6
169.10103	3.0
171.11711	30.5
173.13231	6.6
183.11642	3.0
189.12790	10.5
207.13857	23.6
227.01285	2.4
243.21129	4.5
261.22220	10.7
281.17487	50.0
317.24530	4.9
322.09738	2.5
335.25818	55.3
449.34415	3.8
485.36035	3.3
541.38977	51.8
559.39917	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	559.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07763	5.1
55.01870	11.8
55.05512	47.9
56.70345	6.0
57.03434	11.5
64.96861	6.6
65.03951	8.2
67.05507	66.9
69.07069	24.8
69.32993	49.9
71.05000	9.8
79.05511	55.7
81.03418	12.4
81.07053	50.3
83.04961	12.7
83.08613	22.1
91.05486	61.6
93.07048	50.3
95.04958	18.8
95.08624	33.0
95.46150	6.2
97.10152	29.1
98.21472	10.0
99.08082	6.6
99.22895	5.5
105.07050	52.1
107.04962	19.0
107.08618	32.3
109.06490	6.2
109.10175	20.0
111.08037	6.0
115.05460	5.9
117.07027	33.3
119.08594	36.7
121.10147	15.7
123.08047	10.9
125.09631	24.8
129.07018	15.2
131.08591	42.5
131.58342	5.7
133.10146	16.0
133.37975	5.6
135.08037	7.4
135.11642	8.8
137.09560	6.1
143.08560	23.0
145.10136	39.8
147.11674	20.4
157.10117	19.6
159.11708	18.9
161.13200	9.1
163.11194	17.5
169.10104	14.5
171.11722	14.2
173.13332	11.9
175.14748	9.4
189.11278	13.9
227.12805	32.5
259.20596	17.0
283.15356	12.6
297.22266	18.5
299.35074	7.2
314.49637	6.5
315.23160	20.7
394.31848	6.1
449.30606	13.2
467.31506	15.0
485.32565	21.0
523.33966	16.1
541.35266	100.0
559.28656	7.5
559.36517	80.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00330	2.6
53.03948	5.9
55.01862	7.2
55.05513	40.4
57.03431	5.1
61.41322	2.2
65.03936	4.3
65.60719	2.2
67.05168	4.1
67.05508	62.6
67.16072	2.6
69.03431	4.0
69.07076	20.8
70.18741	4.7
70.19115	8.3
71.04978	6.6
79.05061	3.5
79.05500	51.4
81.03410	5.1
81.07065	61.9
83.04984	7.1
83.08627	23.9
85.06551	5.5
91.05485	40.8
93.06474	3.7
93.07050	52.2
95.04951	13.6
95.08611	33.3
97.02901	4.9
97.06521	8.6
97.10155	22.8
99.00813	8.2
105.07047	41.7
107.04955	8.4
107.08598	34.2
109.02880	8.5
109.06533	3.8
109.10152	22.1
111.08091	7.2
117.07021	16.4
119.08591	26.6
121.06515	6.9
121.10143	24.5
123.11678	6.3
125.09634	16.9
128.06226	3.3
129.07022	9.9
131.08586	19.7
133.06555	2.8
133.10126	34.9
135.08105	3.9
135.11694	14.9
137.09581	3.0
141.06978	3.9
142.07777	4.0
143.08551	13.9
145.06535	4.5
145.10153	19.4
147.08018	5.4
147.11690	10.3
149.13258	7.6
151.11206	5.2
157.10155	6.9
159.11658	11.8
161.09624	10.5
161.13257	7.9
163.11272	4.7
163.14864	3.9
169.10118	6.7
171.11705	9.8
173.13283	6.7
176.32071	2.3
179.10638	4.9
179.14288	2.8
181.09973	3.6
183.11702	7.4
185.13255	5.5
187.14816	3.6
189.09183	8.0
189.11229	6.8
197.13400	3.9
220.12329	2.6
223.13251	2.7
225.11226	10.0
227.12822	6.1
241.19627	2.4
243.21054	4.3
259.20453	3.5
261.22186	8.7
273.18539	3.1
277.21747	4.6
281.13971	7.9
285.22110	3.6
287.23807	6.8
291.19635	11.9
313.21829	4.0
315.23203	18.8
421.31189	9.0
431.29489	4.4
439.32059	6.7
449.30521	10.8
457.33325	3.5
467.31485	23.6
485.32666	15.1
513.35901	20.7
517.01440	2.5
523.34003	3.4
531.36896	15.2
541.35260	50.1
559.36285	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.7
55.01879	5.7
55.05515	35.9
57.03444	4.8
57.07071	5.4
58.15372	2.6
67.05168	5.3
67.05509	68.6
69.03439	4.3
69.07077	19.5
69.41395	23.3
71.04966	3.0
79.05498	46.8
81.03427	7.4
81.07065	59.1
81.37110	3.0
83.04980	8.1
83.08623	21.8
85.06548	5.6
91.05486	48.6
93.07048	55.8
95.04979	11.2
95.08610	37.9
97.02888	4.4
97.06536	6.6
97.10191	21.0
98.20752	6.5
99.00816	10.3
105.07048	42.9
107.04961	8.7
107.08602	35.7
109.02877	10.2
109.06511	4.2
109.10169	16.1
111.08105	5.4
117.07030	17.4
119.08584	27.1
121.06512	4.5
121.10160	22.8
123.08128	3.7
123.11708	5.2
125.09622	11.0
128.06201	3.3
128.26675	2.6
128.67390	3.3
129.07024	7.6
131.08591	24.9
133.10144	36.8
135.11703	20.7
137.09584	4.7
143.08607	14.1
145.10120	16.8
147.08087	3.5
147.11717	16.8
149.09645	5.9
149.13287	7.9
151.11211	4.5
155.08568	5.0
157.10158	10.3
159.11703	13.2
161.09627	16.9
161.13246	9.1
163.11142	4.3
169.10214	5.3
171.08011	4.1
171.11696	8.3
173.09645	3.3
173.13312	13.6
175.14825	4.7
179.10696	9.9
181.12254	3.7
183.11745	5.5
185.09630	3.2
185.13246	3.1
187.14867	3.9
189.09076	7.1
189.11174	4.2
199.14830	3.7
211.14862	3.9
225.11230	9.8
227.12772	8.0
261.22131	11.8
271.20563	3.6
277.21790	7.0
281.13864	10.5
287.23813	6.9
297.22171	3.1
313.21811	3.5
315.23251	24.3
317.24850	5.2
333.24683	3.6
368.49228	3.1
392.92136	3.4
393.88892	2.8
403.29758	3.4
421.30905	9.1
439.32202	8.7
449.30582	8.3
457.32944	3.0
467.31561	25.9
485.32700	16.5
495.34863	3.4
498.18008	2.8
513.35895	24.4
515.37457	4.4
523.33557	6.0
531.36987	20.2
541.35242	65.8
559.36310	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	20.6
55.05504	40.8
65.13362	14.2
66.02283	20.3
66.50921	14.2
67.05490	51.4
69.03416	32.1
69.07066	40.7
69.67579	94.3
74.87533	15.4
76.86702	16.1
79.05495	43.1
81.03407	33.4
81.07066	100.0
85.02899	54.6
85.06551	24.3
91.05488	46.5
93.07047	87.1
95.04973	17.9
95.08628	83.7
97.02911	24.8
98.21455	17.6
105.07021	50.0
107.08588	56.4
109.06542	23.9
109.10141	52.6
119.08600	56.4
121.10150	52.2
122.09714	79.0
123.08081	19.3
127.03911	59.5
131.08615	32.2
133.10124	40.5
134.10521	15.6
135.11702	34.8
145.10146	27.6
147.11751	39.2
149.09581	16.9
149.13269	24.3
151.11147	16.8
157.10045	23.9
159.11754	23.9
173.13264	20.6
176.41574	15.9
180.04689	17.9
187.14749	19.8
215.14197	19.1
233.51465	16.3
238.71524	15.4
246.58646	18.7
266.83060	14.6
267.77017	15.9
272.06937	16.0
276.20367	42.3
285.26379	17.5
293.24725	25.4
353.18524	29.1
396.18909	21.9
404.16071	53.2
422.17126	50.3
559.26117	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.3
55.01877	7.4
55.05507	10.7
57.03432	10.3
61.02935	7.6
64.56070	4.9
67.05515	23.5
68.99794	5.4
69.03431	13.1
69.07068	13.7
71.04991	8.4
71.57282	6.8
73.02905	6.0
79.05495	12.9
81.03427	21.8
81.07065	45.2
83.04993	11.6
83.08610	8.9
85.02921	34.8
85.06515	5.2
89.03941	5.7
91.03960	9.5
91.05489	16.4
93.05528	9.2
93.07059	33.7
95.04984	8.9
95.08618	35.5
97.02929	10.8
97.06525	5.8
99.04466	11.2
105.01884	7.2
105.07038	22.0
107.04946	5.4
107.08601	27.7
109.02889	15.6
109.06531	5.0
109.10152	34.3
112.48631	4.1
117.07048	6.0
119.08618	16.0
121.06509	4.5
121.10155	17.8
122.09648	6.1
123.11755	8.2
123.29369	5.2
125.09633	5.7
127.03936	19.2
127.07558	10.8
129.07011	7.3
131.08562	7.3
133.10150	20.5
135.04436	8.0
135.11716	12.0
145.02834	7.7
145.04947	8.2
145.10127	8.5
147.11702	10.1
149.13264	9.9
153.58409	4.9
159.11676	9.8
161.13260	7.5
163.03908	100.0
163.06023	11.5
163.14873	5.3
165.09151	5.7
165.12694	5.7
173.13235	8.1
175.14856	5.7
179.14200	5.4
187.14877	9.6
205.15935	6.5
217.04877	8.6
230.09351	4.9
231.05069	5.6
259.05994	25.7
271.29626	6.1
277.18210	5.3
287.23764	7.8
293.24719	8.3
375.73795	5.7
439.21173	35.4
513.24835	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	559.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.3
55.01877	7.4
55.05507	10.7
57.03432	10.3
61.02935	7.6
64.56070	4.9
67.05515	23.5
68.99794	5.4
69.03431	13.1
69.07068	13.7
71.04991	8.4
71.57282	6.8
73.02905	6.0
79.05495	12.9
81.03427	21.8
81.07065	45.2
83.04993	11.6
83.08610	8.9
85.02921	34.8
85.06515	5.2
89.03941	5.7
91.03960	9.5
91.05489	16.4
93.05528	9.2
93.07059	33.7
95.04984	8.9
95.08618	35.5
97.02929	10.8
97.06525	5.8
99.04466	11.2
105.01884	7.2
105.07038	22.0
107.04946	5.4
107.08601	27.7
109.02889	15.6
109.06531	5.0
109.10152	34.3
112.48631	4.1
117.07048	6.0
119.08618	16.0
121.06509	4.5
121.10155	17.8
122.09648	6.1
123.11755	8.2
123.29369	5.2
125.09633	5.7
127.03936	19.2
127.07558	10.8
129.07011	7.3
131.08562	7.3
133.10150	20.5
135.04436	8.0
135.11716	12.0
145.02834	7.7
145.04947	8.2
145.10127	8.5
147.11702	10.1
149.13264	9.9
153.58409	4.9
159.11676	9.8
161.13260	7.5
163.03908	100.0
163.06023	11.5
163.14873	5.3
165.09151	5.7
165.12694	5.7
173.13235	8.1
175.14856	5.7
179.14200	5.4
187.14877	9.6
205.15935	6.5
217.04877	8.6
230.09351	4.9
231.05069	5.6
259.05994	25.7
271.29626	6.1
277.18210	5.3
287.23764	7.8
293.24719	8.3
375.73795	5.7
439.21173	35.4
513.24835	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	558.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96195	4.7
54.62962	4.7
55.05523	24.9
57.03436	18.3
57.07083	36.9
59.06118	23.0
67.05507	26.6
69.03425	5.7
69.07072	14.5
70.06607	8.3
71.05001	7.5
71.08634	28.2
71.24032	8.9
79.05494	29.5
81.03423	55.1
81.07072	38.9
83.04977	15.2
83.08622	29.7
85.02905	20.3
85.10189	20.2
85.34826	5.4
88.15299	4.3
91.05484	29.8
93.07034	16.1
95.04966	23.9
95.08616	26.1
97.10174	8.9
101.07157	22.8
101.71381	5.0
105.07018	16.1
107.04982	7.3
107.08620	9.4
109.10152	14.1
111.08080	13.6
119.08576	17.8
121.10165	8.2
123.11758	6.9
127.37648	5.1
129.07005	10.3
133.10159	11.2
147.11703	14.8
157.10095	15.7
175.11319	6.8
187.15321	5.7
193.12292	42.5
211.13315	76.2
246.44211	5.5
251.87541	4.9
256.26630	6.7
267.15894	13.0
284.26761	15.0
285.16992	66.3
285.27032	7.9
302.29486	5.6
313.27338	100.0
403.63657	5.2
505.38519	10.9
523.39972	65.4
558.53503	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.9
55.05517	28.1
57.03442	6.9
57.07085	8.0
61.02908	5.3
67.05511	99.2
69.07061	23.6
71.56384	7.0
71.56771	6.2
79.05494	80.5
81.06630	8.6
81.07063	88.5
83.08620	12.7
85.02906	9.8
85.06548	8.7
91.05482	73.4
93.07054	100.0
95.04943	10.0
95.08614	75.4
97.06504	6.3
97.10146	8.2
99.08079	9.4
105.07027	72.8
107.08608	47.7
109.10198	34.6
117.07005	24.7
119.08597	65.6
121.10159	59.9
123.11684	6.0
129.06995	18.7
131.08572	33.6
133.10139	51.4
135.11670	28.1
141.54161	5.2
143.08585	14.8
145.10138	23.2
147.11707	25.2
149.13307	29.3
157.10120	7.5
158.58937	5.9
159.11713	23.3
160.07605	6.5
161.13293	28.2
163.14815	29.2
171.11691	18.5
173.13280	26.5
175.14827	26.2
177.12857	7.9
177.16354	8.9
179.14255	8.0
180.14594	7.5
185.13258	12.5
187.14828	14.6
188.42726	5.3
189.16368	13.0
191.14330	5.7
199.14793	14.6
201.16469	5.6
205.15962	7.9
227.17950	7.3
269.22562	30.8
275.37195	5.2
278.50980	5.5
287.23712	95.9
305.24768	15.2
361.27347	16.5
379.28464	49.7
442.58347	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	558.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	59.7
67.05494	23.8
69.07075	33.1
69.63351	9.3
71.18429	14.1
79.05499	23.1
81.07056	47.3
83.08606	11.6
85.02913	9.9
87.93047	9.0
91.05485	15.9
93.07041	42.3
95.08617	46.1
97.10184	88.7
105.07020	36.9
107.08584	44.8
109.06536	17.0
109.10157	35.4
119.08593	34.8
121.10155	29.5
123.08112	16.5
125.06010	29.0
125.09676	15.4
131.08577	18.9
133.10103	23.9
135.11714	11.7
139.11157	9.7
143.08594	10.3
143.10699	28.8
145.10129	27.1
147.08041	10.1
147.11693	16.0
149.09488	11.5
151.07581	10.4
153.05470	14.7
153.09193	12.8
155.08537	11.0
157.10168	10.5
161.09604	22.6
161.13261	11.1
163.07558	14.6
163.11205	20.7
165.09151	12.2
173.13383	12.3
175.07486	13.3
175.11296	10.5
177.09123	34.9
189.12814	11.1
191.10683	16.6
193.08568	10.2
215.14401	18.9
217.15952	13.8
233.15401	17.7
259.17001	17.5
261.14798	12.3
277.17960	10.3
305.17511	27.1
321.16956	12.5
351.90338	10.6
397.27530	10.4
415.28534	33.0
425.26761	60.8
433.29874	13.7
440.96869	10.2
441.26608	14.6
443.27985	60.8
459.27399	30.6
461.29074	100.0
469.25870	18.0
487.26855	16.5
558.34857	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	558.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	11.3
55.01886	7.1
55.05528	68.8
67.05510	31.8
69.03437	16.8
69.07066	32.0
71.05006	9.4
71.57142	9.7
79.05502	18.9
80.41832	7.0
81.03421	8.7
81.07065	56.8
83.04974	13.0
83.08633	14.4
85.02935	19.3
85.06541	8.9
91.05502	21.3
93.07044	36.4
95.04977	18.0
95.05549	8.4
95.08624	54.7
97.06532	20.1
97.10177	98.6
105.07033	34.4
107.04979	9.5
107.08582	39.1
109.06543	30.6
109.10175	39.8
117.07076	10.0
119.08600	54.4
120.55748	7.5
121.10120	39.7
123.08087	26.9
123.11700	15.5
125.06001	41.1
125.09621	22.1
127.03921	13.3
131.08591	16.9
133.06532	10.8
133.10135	44.3
135.08113	13.4
135.11696	16.9
137.09602	17.8
139.11191	14.7
143.08588	18.8
143.10663	22.0
145.10139	30.3
147.08124	16.4
147.11656	17.5
149.09647	22.2
151.07532	12.1
151.11212	9.3
153.05502	17.7
153.09175	14.5
157.10188	16.6
159.11702	24.5
161.05949	8.7
161.09663	23.8
161.13191	8.9
163.07571	9.3
163.11258	16.2
165.09129	26.9
165.12804	8.6
171.11630	9.7
173.13332	22.1
175.07617	12.6
175.11194	14.5
177.09135	38.2
179.10655	7.7
180.51657	7.5
187.14818	13.9
189.09290	9.7
191.10722	17.4
197.13342	10.3
199.14812	31.7
215.10699	12.3
215.14436	9.1
217.12195	15.7
217.15807	17.8
224.43851	7.4
231.17653	7.1
233.15552	10.7
245.15369	15.6
261.11124	9.2
261.14972	10.7
275.16537	14.6
303.15921	19.5
305.17471	24.0
319.19061	19.1
321.17297	10.5
335.18399	7.6
395.26266	11.6
395.55414	7.3
397.27466	12.1
415.28452	36.7
423.25504	12.6
425.27124	55.6
433.29669	34.8
441.26434	22.5
443.27963	57.9
451.30750	10.2
459.27505	21.0
461.29022	100.0
469.25757	23.1
505.27432	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	558.291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.2
55.01868	2.3
55.05514	5.0
57.03432	2.5
57.07070	3.1
67.05509	3.4
69.03433	13.4
69.07056	2.4
69.51842	3.3
69.52259	5.0
70.63589	1.0
71.05005	6.7
72.90440	1.2
79.05489	4.6
81.03432	8.3
81.07059	11.0
83.04964	2.9
83.08611	3.0
85.02911	19.9
85.06554	8.7
87.00832	7.6
91.05470	4.4
93.07048	12.0
95.04967	8.6
95.08604	22.1
97.02886	6.8
97.06517	4.4
98.20739	1.8
99.04466	14.0
101.06006	3.6
105.01859	5.8
105.07040	9.9
107.04944	2.1
107.08603	12.1
109.02886	6.4
109.06503	4.6
109.10181	6.6
111.04485	2.2
111.08088	4.6
113.06010	1.2
113.09653	12.5
117.07056	2.3
119.08586	14.1
121.10154	16.6
123.08060	3.4
123.11713	2.2
125.09591	2.3
127.03923	13.0
128.06160	1.3
131.08540	4.0
133.10133	12.6
135.08046	10.6
135.11679	3.7
137.09641	8.7
139.11276	1.5
141.09096	1.4
143.08585	8.0
145.04961	3.6
145.10130	5.9
147.11665	9.5
149.09624	6.7
149.13268	1.7
153.09106	1.2
155.10675	10.4
156.09312	1.5
157.10155	8.3
159.02878	3.8
159.11693	9.2
161.09622	24.7
161.13208	1.6
163.11168	3.1
167.10680	5.3
169.10168	2.6
171.11693	3.0
173.13261	6.7
175.11221	6.3
175.14806	6.9
176.11986	2.1
177.09061	1.8
177.12753	2.3
183.11678	4.1
184.12442	1.6
187.14867	1.8
189.16386	2.4
191.14345	2.1
193.12276	4.2
193.15849	2.7
197.13258	2.3
199.14835	15.3
199.79416	1.2
201.12766	6.4
215.14342	1.5
215.17886	2.8
217.15898	16.9
219.13828	18.7
231.05023	2.0
237.14888	10.1
239.17963	5.0
247.10751	1.2
257.18979	13.8
275.20065	95.6
276.20432	2.4
280.79181	1.5
293.21127	100.0
294.21634	1.6
413.02625	1.3
438.15735	1.2
541.18506	1.9
541.26404	24.9
541.34534	1.8
566.76617	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	7.7
55.01887	9.5
55.05508	3.5
57.03429	4.6
57.07076	2.1
61.02917	3.7
67.05500	6.2
68.99789	3.4
69.03428	24.9
69.07072	4.6
69.44894	9.8
71.05005	22.6
73.02912	4.3
79.05486	5.1
81.03424	28.4
81.07056	16.1
83.04965	5.3
83.08611	2.7
85.02908	49.8
85.06546	12.1
87.00828	18.2
91.05475	7.8
93.07046	10.8
95.04970	9.1
95.08612	15.8
97.02896	29.1
97.06533	17.3
98.20694	2.5
99.04456	100.0
99.08096	4.6
101.06014	4.4
105.01882	11.2
105.07034	19.7
107.08578	11.1
109.02885	26.9
109.06512	10.9
109.10142	10.2
111.04382	1.5
111.08077	4.4
113.09637	1.3
115.07556	1.6
117.01841	2.6
117.06996	4.7
119.08584	21.3
121.06520	3.7
121.10149	38.2
121.11023	2.0
123.08049	3.6
123.11707	9.3
125.09609	1.6
127.03922	41.1
127.07552	15.2
128.06203	1.6
129.01848	3.3
129.07001	3.8
131.08575	7.9
133.06476	1.8
133.10127	20.5
135.08051	5.4
135.11746	6.5
137.05969	1.8
137.09598	7.7
139.11217	3.2
142.07816	2.5
143.08540	9.4
145.04961	17.0
145.10143	10.5
147.02867	2.7
147.08075	3.4
147.11691	37.2
149.09584	2.7
151.07550	1.8
153.09106	4.8
155.08571	3.5
155.10675	42.6
156.09351	2.4
157.10135	14.6
158.10922	2.3
159.02910	15.1
159.08128	2.7
159.11707	16.3
161.09627	4.0
161.13293	4.4
165.09111	3.1
165.12758	3.7
169.10158	3.5
170.10823	1.8
171.11720	10.3
173.09648	1.6
173.13268	20.2
175.11212	3.5
175.14786	9.4
177.09108	1.3
177.12746	2.6
179.10596	1.7
181.10056	1.5
182.10936	1.3
183.11685	7.9
184.12494	3.5
185.13251	5.8
187.11215	1.9
187.14830	4.8
191.14307	7.1
193.15811	2.0
197.13245	8.3
199.14845	30.5
201.12761	8.8
201.16400	5.1
203.14388	2.1
213.04008	2.6
215.14288	2.5
215.17998	2.0
217.15936	10.4
219.13788	4.0
229.12254	1.5
229.15822	1.6
231.04974	8.8
233.15366	3.0
239.14267	1.9
239.17946	18.2
241.16003	1.9
241.19479	3.0
249.05981	6.3
257.15289	2.7
257.19012	34.2
259.20526	6.7
267.17615	1.9
275.20065	43.0
293.21106	11.2
299.20145	2.1
305.21106	1.7
317.20990	2.0
361.16467	3.2
365.21198	1.9
371.27194	1.4
379.17712	2.3
383.13129	1.5
383.21933	1.9
401.23459	1.5
423.20016	2.0
487.23105	3.8
505.24399	5.4
523.25635	7.6
558.27893	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.01867	2.0
55.05509	3.2
57.03444	1.9
58.19864	0.9
65.59959	1.0
67.05504	4.1
69.03434	5.5
69.07070	3.9
70.29856	4.1
71.04999	28.8
79.05511	2.2
81.03435	7.2
81.07066	5.1
83.04998	2.3
83.08614	1.4
85.02910	13.5
85.06543	9.1
87.00824	3.9
87.06597	1.0
91.05479	3.8
93.07054	5.0
95.04979	8.2
95.08608	12.0
97.02914	5.7
97.06547	12.5
99.04464	100.0
99.08088	1.7
101.06017	8.3
105.01852	3.4
105.07044	13.7
107.08591	5.3
109.02888	5.0
109.06543	6.1
109.10162	4.9
111.08056	2.0
117.01845	1.2
117.07047	1.3
119.08588	18.8
121.10145	20.7
123.08043	1.9
123.11735	5.9
127.03947	6.8
131.08578	2.4
133.10155	12.9
135.08078	3.0
135.11682	1.1
137.09642	7.1
139.65689	1.2
141.09119	1.7
142.07805	1.4
143.08562	4.0
145.04962	1.2
145.10153	5.2
147.11700	34.6
149.09625	2.6
149.13213	1.2
153.09132	3.0
155.10683	54.7
157.10156	7.7
159.02943	3.2
159.11656	5.7
161.09598	3.2
165.12726	3.0
167.10652	1.4
169.10181	1.5
171.11761	5.8
173.13272	3.2
175.14839	21.9
177.16339	1.3
183.11678	4.1
184.12466	2.9
187.14841	2.5
193.15871	1.4
195.13829	3.5
197.13225	5.7
199.14839	26.6
201.12796	1.7
217.15866	6.5
219.13751	1.3
224.15479	1.2
239.17998	12.1
257.16574	1.9
257.19064	21.4
275.20078	19.4
293.21103	6.8
335.48627	1.0
355.51712	1.1
370.51938	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	2.2
53.03953	17.2
55.01870	7.7
55.05506	5.4
55.43684	1.5
57.03428	5.6
59.04997	3.7
61.02927	8.1
67.05505	3.8
68.99780	4.6
69.03429	28.8
69.07061	3.4
70.09496	7.3
70.48512	1.6
71.04990	4.4
73.02905	6.9
79.05499	10.3
81.03418	35.3
81.07066	6.1
85.02908	73.3
85.06548	3.1
87.00834	33.6
91.03969	3.5
91.05476	4.2
93.07050	6.6
93.13353	1.7
95.04951	3.8
95.08620	6.6
97.02898	39.7
97.10170	3.5
99.04463	16.4
105.01874	26.0
105.03388	1.9
105.07043	5.9
107.04955	11.3
107.08546	2.3
108.04489	3.5
109.02884	31.5
109.06557	3.7
109.10169	4.0
115.03942	1.9
117.01833	3.2
117.07039	6.6
119.08585	4.9
121.06490	6.2
121.10138	11.0
123.08108	3.4
125.06030	3.3
127.03923	54.9
128.78392	1.6
129.01843	2.7
129.05537	1.9
131.08545	5.3
131.68976	1.9
133.10158	4.4
135.08157	2.0
135.11740	2.1
137.09653	2.1
141.07011	2.7
143.08626	3.4
145.04967	25.2
145.06473	4.4
145.10141	5.1
147.02910	2.9
147.08093	2.3
147.11690	2.7
149.09644	9.8
159.02904	22.0
159.08058	29.0
159.09235	2.8
159.11687	4.3
161.09593	2.6
171.11633	2.1
173.09653	6.7
173.13206	2.0
175.14726	2.5
181.08623	4.2
187.11192	23.7
191.10670	4.0
199.14810	2.1
201.09119	11.2
205.08624	14.4
215.10719	14.2
217.15881	4.9
219.10141	6.5
229.08704	3.4
229.12164	3.3
231.04955	8.7
233.11688	5.2
247.09714	4.5
247.13310	61.2
248.07588	2.5
257.11716	2.1
257.19086	5.3
261.11377	2.1
271.13416	4.2
275.20078	22.1
289.14337	20.0
293.13834	100.0
293.21063	6.7
294.17816	1.7
317.13834	5.2
335.14893	25.7
345.60400	1.9
355.15335	2.5
373.16403	2.0
383.14798	6.3
390.24600	1.7
487.16171	2.5
505.16891	4.0
509.53979	2.0
586.32275	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	557.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.6
55.01868	6.3
55.05304	1.8
55.05513	22.1
57.03432	6.3
57.07068	2.6
65.03922	3.2
66.78052	1.5
67.05167	2.9
67.05506	46.6
69.07067	16.7
71.04980	3.2
71.08620	1.8
79.05056	3.1
79.05499	40.0
81.03414	4.8
81.07061	48.2
83.04990	4.4
83.08626	10.1
85.06556	2.6
91.05482	46.3
93.06472	2.5
93.07046	43.3
95.04997	10.7
95.08606	33.1
97.06535	6.3
97.10165	8.4
98.20689	3.0
99.08080	2.8
103.05437	2.6
105.07031	36.5
107.04958	6.6
107.08600	21.6
109.06499	6.3
109.10168	11.1
109.10829	2.1
111.08096	2.6
115.05450	3.7
117.07014	18.6
119.08582	31.5
121.06530	3.1
121.10152	10.0
123.08041	4.6
123.11763	2.0
125.09681	2.2
128.06221	6.7
129.07018	21.8
130.07803	2.4
131.08562	30.7
133.10132	21.9
135.11688	7.3
141.07002	8.9
142.07762	4.7
143.08562	23.1
145.06485	2.0
145.10147	24.8
147.08022	2.8
147.11687	16.6
149.09636	4.1
149.13277	4.1
155.08569	17.9
156.09390	3.3
157.10147	25.0
159.11713	17.8
161.09628	3.2
161.13293	11.4
163.11163	2.5
165.07005	2.5
167.08591	7.5
168.09299	2.8
169.10139	24.0
171.08026	2.6
171.11668	21.4
173.09703	1.8
173.13301	11.4
175.11209	2.4
175.14905	4.0
177.12779	2.5
179.08586	2.3
181.10132	12.8
183.11703	18.1
185.09642	2.0
185.11987	1.5
185.13289	14.5
187.11205	2.6
187.14856	4.5
189.12694	2.1
193.10132	5.0
193.98671	1.6
195.11722	12.3
195.15239	1.7
197.13243	12.9
199.14847	10.6
201.16293	2.2
207.11795	2.6
207.13818	4.1
209.13205	10.4
211.14856	8.7
213.16368	10.9
219.11610	1.8
221.13239	3.8
223.14780	5.5
225.16406	4.6
227.18111	2.2
229.51828	1.7
234.06606	1.8
237.16556	3.9
239.18022	2.1
241.19516	5.9
247.14784	1.8
249.16248	2.1
251.17990	3.1
257.19077	3.1
259.20572	11.6
275.20074	4.9
277.21823	2.0
279.16046	4.1
281.17444	8.5
284.15976	2.0
285.18643	2.1
285.22098	1.9
287.20120	3.2
297.18634	1.8
297.22028	2.9
313.21481	2.5
317.22247	2.3
323.23666	3.9
331.22708	1.8
333.24240	4.1
335.23724	3.9
337.25409	3.3
338.42596	1.8
338.47284	2.1
341.24466	2.6
353.24927	2.2
419.33203	4.1
420.83237	2.0
429.31381	5.4
437.34335	12.4
447.32745	24.2
465.33630	27.7
466.33887	2.0
483.34763	16.3
501.35611	2.9
503.34790	2.6
511.37955	2.3
521.36444	9.2
527.37109	2.5
529.38501	5.7
539.37427	100.0
540.37500	3.2
557.38513	54.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.3
55.01876	4.1
55.05294	2.3
55.05515	22.1
57.03419	5.9
57.07075	3.9
57.59410	1.7
60.41302	1.6
65.03951	2.0
67.05174	2.4
67.05511	42.7
69.07076	14.7
69.94835	7.9
71.05002	2.4
79.05066	2.1
79.05500	39.0
81.06586	2.5
81.07063	46.1
83.04970	5.0
83.08646	9.3
85.06580	3.9
91.05486	46.9
93.07053	44.0
95.04967	6.8
95.08614	31.8
96.29013	1.9
97.06538	5.9
97.10155	7.5
100.86597	1.7
105.07037	40.0
107.04941	5.3
107.08598	21.5
109.06532	2.0
109.10180	9.8
111.08099	2.1
115.05453	4.0
117.07027	18.3
119.08593	30.8
121.06513	3.4
121.10166	12.0
123.08025	3.3
128.06233	5.5
129.06998	20.9
131.08572	33.7
133.10138	22.9
135.08063	4.4
135.11754	9.4
141.06985	8.3
142.07825	2.8
143.08565	28.4
145.06526	4.1
145.10118	30.6
147.08006	3.2
147.11671	14.2
148.45169	2.1
149.09605	3.0
149.13277	7.4
153.06996	3.4
154.07758	2.6
155.08559	23.0
157.10127	20.8
159.11719	21.8
161.09692	3.0
161.13254	8.7
163.11182	3.1
163.14868	3.9
167.08586	7.5
168.09361	4.0
169.10127	23.4
170.10966	2.4
171.11696	17.8
173.09583	1.8
173.13298	14.0
175.11229	2.3
175.14832	6.3
177.12729	2.5
179.08563	2.6
180.09323	2.0
181.10052	11.1
182.10881	3.0
183.11655	17.2
185.13275	11.8
187.11220	4.3
187.14896	6.2
189.12769	3.2
190.85098	1.8
193.10156	4.4
195.11749	12.0
197.13272	15.1
199.14844	9.7
201.12737	2.1
201.16443	4.1
207.11642	4.4
209.13228	6.9
211.14893	9.9
213.16455	8.8
221.13269	3.1
223.14812	5.9
225.16379	3.6
227.14429	2.3
235.14986	2.2
237.12782	1.9
237.16353	3.3
241.19547	5.1
243.21072	4.6
247.14647	3.1
249.96782	1.9
251.18027	3.9
255.15660	2.7
257.19208	2.3
259.20581	12.0
267.21051	2.5
269.22766	2.1
279.15869	3.9
279.21103	1.9
281.17603	6.2
285.22153	7.6
309.22040	2.3
311.20227	2.9
323.23761	2.5
325.21613	2.3
333.24380	5.0
335.23767	2.5
341.24503	2.9
349.25385	4.3
353.24615	2.3
416.96021	2.1
419.32999	2.1
429.31647	4.8
437.34192	9.8
447.32562	27.9
465.33777	24.2
483.34842	19.7
485.33875	2.0
501.35580	2.3
503.34927	3.2
521.36102	6.2
527.37024	3.5
529.38452	6.2
539.37360	100.0
540.37701	3.1
557.38434	52.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	5.8
55.01865	12.5
55.05305	3.9
55.05517	41.3
57.03438	6.6
65.03876	3.1
67.05509	44.2
67.84579	3.0
69.03424	5.5
69.06771	2.7
69.07075	21.1
69.88591	17.2
70.06595	5.6
79.05499	56.4
81.03415	12.9
81.07060	69.0
83.04974	8.9
83.08626	17.6
89.54086	3.1
90.01133	2.9
91.05480	35.8
93.07053	40.4
95.04982	21.6
95.08626	28.8
97.06536	8.2
97.10169	17.2
98.20822	5.7
103.05447	3.5
105.07035	32.4
107.04964	17.2
107.08589	22.9
109.06503	14.6
109.10149	13.1
111.04460	3.7
111.08054	4.2
115.05486	3.4
117.07021	20.3
119.08566	21.5
121.06524	11.3
121.10115	16.0
123.08057	9.7
123.83948	3.3
125.09628	13.6
129.07008	15.7
131.04958	3.6
131.08588	19.2
133.06493	10.8
133.10127	21.1
135.08081	12.2
135.11699	6.3
137.05992	3.6
141.07036	5.8
142.07733	4.3
143.08578	14.1
145.06474	8.7
145.10175	20.2
147.08034	11.9
147.11674	6.0
147.45393	3.4
149.09648	5.0
149.13283	4.5
151.11206	6.4
153.12752	3.1
155.08578	10.7
157.10152	9.0
159.08061	7.0
159.11752	10.2
161.05988	4.1
161.09657	5.7
163.07437	3.3
163.11203	10.2
169.10146	7.9
171.08047	11.5
171.11679	10.2
173.05977	5.6
173.09607	11.7
175.11182	4.4
177.12666	5.1
181.10141	5.9
183.11726	5.0
185.09688	4.9
185.13245	3.9
187.07684	3.3
187.11206	6.7
189.11244	6.0
191.10648	3.6
193.12247	3.9
195.11668	3.8
197.13287	4.5
199.11209	4.3
209.13225	3.7
210.27184	3.0
213.12852	3.4
225.12744	3.8
249.14781	4.2
264.22025	3.4
265.75931	3.2
273.18417	5.8
275.20123	7.6
291.19513	3.7
313.21573	13.4
315.19470	15.9
317.62674	3.1
337.21503	4.1
355.22717	6.2
357.24316	4.3
373.23694	4.8
385.23428	4.7
419.29843	3.9
420.15558	10.7
429.27274	6.7
437.30466	4.8
447.28580	19.8
459.27249	6.2
465.30005	38.6
483.31146	28.0
501.32120	7.3
521.32172	4.1
539.33734	47.9
557.26038	6.0
557.34814	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	18.2
55.05507	75.1
67.05500	51.9
69.03423	35.0
69.07061	41.8
69.76180	64.1
71.04977	13.0
79.05476	44.5
79.10165	11.2
81.03410	43.6
81.07062	68.3
83.08624	14.5
85.02911	52.8
87.00841	25.4
91.05468	31.1
93.07047	74.7
95.04990	14.8
95.08602	99.8
97.02881	24.4
97.06551	13.0
97.10176	87.2
105.01869	21.0
105.07030	68.6
107.04962	24.9
107.08588	60.9
109.02883	36.8
109.06519	21.8
109.10149	70.0
117.07063	14.0
119.08585	62.0
121.06523	15.8
121.10165	70.6
122.09627	12.3
123.08075	46.9
125.06010	100.0
126.10699	11.2
127.03921	47.3
131.08583	41.9
133.10124	50.4
135.07977	15.3
135.11681	35.2
135.67659	11.7
137.09607	18.3
143.08492	24.3
143.10693	27.8
145.10129	37.8
147.08026	13.1
147.11667	18.2
149.09622	20.6
151.07542	28.5
153.05392	16.2
157.10124	28.4
159.08047	36.5
159.11716	36.1
161.13322	14.2
169.10161	17.2
171.11647	14.2
173.09630	19.8
175.14874	16.5
177.09097	21.7
179.10600	14.6
183.11646	11.4
185.13310	19.0
187.14743	13.5
191.10675	21.4
203.14255	18.2
208.41296	11.3
215.14355	25.0
217.15909	17.0
229.12164	18.1
229.15826	23.6
231.13866	60.9
233.15382	22.5
245.15288	16.6
247.13342	48.9
247.17104	14.3
257.15335	15.6
274.18930	14.5
275.16425	25.3
287.16394	12.2
289.14355	16.4
289.17810	16.9
293.13840	64.9
293.17130	20.0
309.20502	17.7
326.39557	14.8
380.25070	11.6
395.25671	14.1
413.26724	32.1
420.15466	17.5
423.25189	22.6
431.27777	49.1
439.24643	11.8
441.26373	57.3
459.27380	35.6
521.27411	34.0
557.23859	67.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
53.79768	1.1
55.01892	6.5
55.05515	15.8
57.03448	15.4
57.07084	46.6
58.06590	2.6
59.05005	3.6
65.03934	1.7
67.05512	20.9
69.03429	1.7
69.07080	11.1
70.06596	11.2
71.01343	1.8
71.04983	3.7
71.08635	32.7
71.26035	2.8
73.02909	1.6
79.05500	14.7
79.68485	1.2
81.03433	8.8
81.07065	25.5
83.01337	8.6
83.04990	9.2
83.08633	19.8
85.02892	3.5
85.06558	2.2
85.10193	18.0
86.09721	1.8
88.07624	5.0
89.06034	10.0
91.05482	13.4
93.07051	23.7
95.04966	4.4
95.08615	23.3
97.02912	1.3
97.06541	4.2
97.10159	7.7
99.04456	1.9
99.11733	1.5
102.09182	3.1
103.07592	2.1
105.07050	7.4
107.04947	4.8
107.08598	9.5
109.06567	6.6
109.07172	1.3
109.10188	9.0
111.04446	3.0
117.07021	3.7
119.08595	6.6
121.06514	1.9
121.10184	7.4
123.08060	5.3
123.11699	2.4
125.09634	1.3
130.07840	1.8
131.08603	3.2
132.10222	5.3
133.08609	4.3
135.08076	2.1
135.11714	9.9
137.09595	1.5
145.10135	13.3
146.11784	5.3
149.09599	1.5
153.12769	1.5
163.11163	19.4
173.09691	2.3
177.11346	2.5
181.12228	3.5
191.10703	2.8
197.33405	1.2
209.11714	7.2
227.12755	3.7
239.23657	2.4
256.26355	10.1
257.24796	2.9
283.15411	100.0
283.26318	35.1
300.28998	19.5
311.29462	3.0
313.27390	95.0
314.27792	2.0
367.89465	1.4
371.22791	2.9
458.88266	1.3
521.38428	48.6
556.53027	79.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	9.2
55.01867	4.7
55.05511	19.6
55.69012	3.0
57.03438	10.8
57.07067	4.6
61.02929	11.7
65.03934	3.6
67.05170	4.5
67.05509	75.5
69.07073	18.6
71.04988	4.3
73.02931	5.5
79.05497	68.5
81.07066	74.6
83.04967	5.8
83.08617	10.0
85.02908	7.0
85.06548	9.4
91.03955	4.5
91.05489	100.0
93.07049	64.9
95.04975	7.7
95.08612	40.4
97.02890	5.2
97.06499	5.1
105.07047	69.1
107.08601	37.5
109.10150	23.8
111.08086	5.2
115.05463	4.2
117.07034	44.6
119.08597	55.5
121.06453	3.8
121.10139	41.0
123.08054	4.2
123.11720	11.3
128.06241	4.2
129.07008	33.5
131.08574	68.3
133.10126	49.6
135.08051	9.7
135.11720	26.2
137.09624	4.6
137.13269	6.1
141.07007	15.1
143.08571	21.0
145.10132	57.1
147.11682	26.2
149.09628	18.2
149.13277	13.4
155.08586	12.6
157.10104	16.2
159.11685	35.4
161.09666	9.7
161.13246	26.7
163.11214	11.1
163.14844	7.2
169.10179	12.1
171.11687	21.2
173.09636	4.2
173.13251	28.8
175.11189	5.0
175.14819	21.6
177.12802	4.4
183.11702	19.1
185.13281	16.9
187.11227	4.1
187.14851	20.1
189.12839	6.2
189.16379	8.0
197.13249	15.0
199.14851	8.8
201.12730	9.2
201.16359	32.8
203.14305	4.7
203.17995	4.1
211.14856	10.6
213.16414	3.7
215.14308	8.4
225.16406	9.0
229.15816	4.4
239.18069	3.5
241.19589	5.5
243.21100	9.6
257.19049	8.2
257.22617	6.1
267.21115	48.5
285.22171	42.9
292.20151	3.6
303.23254	8.3
344.19992	3.2
359.25681	5.7
376.81561	3.6
377.26849	12.3
556.28284	6.1
556.36523	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	556.333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.1
55.01878	2.0
55.05514	8.8
57.03428	4.8
57.07070	5.6
61.02917	6.2
67.05511	11.5
69.03438	14.1
69.07072	4.5
69.61243	7.7
69.61646	3.0
73.02915	2.6
79.14861	1.4
81.03419	5.2
81.07063	26.8
83.08634	9.2
85.02911	100.0
85.10212	1.4
91.03950	4.9
95.08611	39.0
97.02905	18.4
97.10175	14.6
98.02568	1.5
99.04473	3.2
107.08561	1.8
109.02879	7.9
109.10162	53.4
115.03939	1.5
115.11199	1.6
123.11716	60.1
127.03929	25.5
137.13260	21.2
139.14813	1.9
145.04965	50.3
153.50220	1.7
163.06039	29.2
176.34235	1.5
179.17953	56.2
197.19020	55.4
206.21942	1.3
273.40512	1.4
284.89731	1.5
325.11374	1.7
359.24338	9.3
364.68616	1.4
377.25272	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	555.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22385	17.9
54.19385	20.8
55.05511	65.4
57.03437	44.9
57.07072	42.4
67.05504	91.2
69.07082	56.9
71.08624	25.2
71.57606	38.0
79.05495	58.7
81.07088	100.0
83.08613	47.2
85.10167	26.1
91.05463	49.5
93.07029	36.0
95.08607	64.9
102.51601	21.5
105.07076	52.2
107.08630	39.0
109.10142	59.6
119.08544	33.4
122.18690	19.3
123.11752	25.3
131.08551	25.6
133.10205	33.0
141.67720	30.4
143.08574	28.2
151.11165	20.3
242.07927	20.4
299.14841	67.4
313.27374	75.2
537.37469	43.5
555.35846	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	5.2
55.01869	4.8
57.03448	3.2
61.62927	2.5
67.05500	5.1
69.03435	18.3
70.34818	5.2
70.35206	4.3
71.05003	5.3
73.02901	5.3
74.84335	2.3
79.05492	6.0
81.03422	15.5
81.07039	5.6
85.02906	38.1
85.16943	2.6
87.00835	14.4
91.05476	5.2
93.07024	7.6
95.04967	48.1
95.08635	6.3
97.02892	18.8
99.04459	18.9
100.76819	2.7
105.01880	13.2
105.07013	10.8
106.90614	2.6
107.08556	8.4
109.02897	18.2
109.06506	11.3
117.07013	3.1
119.08579	4.0
121.06506	17.6
121.10149	47.1
123.08018	3.0
127.03935	30.8
131.08617	4.5
133.10074	4.2
135.08066	62.6
145.04964	11.4
145.10118	8.2
153.09084	11.1
156.09332	3.0
157.10130	3.7
159.02873	11.0
159.08023	4.4
159.11723	6.5
165.09102	11.7
173.09622	19.7
173.13284	7.3
179.10677	38.0
185.09720	3.2
186.10526	4.0
187.11232	4.8
189.12784	4.7
193.12254	67.9
200.11955	3.9
215.14343	86.2
231.05020	7.0
233.15393	70.2
273.18506	92.8
291.19531	100.0
337.76419	2.7
394.04559	2.9
530.70258	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	555.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
53.82350	1.1
55.01881	1.2
55.05520	8.1
57.03444	8.7
57.06829	1.8
57.07082	28.2
67.05506	15.2
69.07079	6.8
69.93045	3.2
69.93456	3.2
71.08284	1.8
71.08636	21.7
79.05479	5.2
81.03431	8.7
81.07060	20.2
83.04948	1.3
83.08632	11.7
85.02899	1.6
85.10183	9.0
91.05481	4.0
93.07040	6.2
95.04946	1.6
95.08616	21.1
97.06540	1.8
97.10195	6.1
98.20637	1.4
98.98478	81.5
99.04423	2.0
105.07000	3.9
107.08584	3.5
109.02879	4.6
109.06470	1.8
109.10178	8.9
116.99499	2.4
119.08578	2.8
119.17278	1.2
121.10137	2.9
123.11704	4.9
127.03894	1.8
131.08514	3.3
133.10161	2.9
137.13229	1.9
145.10117	2.5
155.01051	100.0
159.11769	1.6
161.13246	1.7
179.14525	1.2
221.22563	1.3
225.01608	1.1
237.14824	1.6
239.23738	11.0
257.19016	1.5
265.14349	1.5
275.20111	4.6
313.27374	65.5
314.27994	2.1
317.06448	7.3
393.24173	6.3
401.28885	3.4
537.27716	1.6
545.71173	1.3
555.37408	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.6
52.40654	1.1
53.00549	1.0
53.03952	7.9
55.01878	27.1
55.05266	1.9
55.05514	27.9
57.03440	5.8
57.06867	0.9
57.07081	10.4
57.80185	1.1
59.04985	1.1
65.03957	5.1
67.05511	72.2
68.23594	1.1
69.03436	1.9
69.07073	41.9
71.04993	4.5
71.08643	11.2
71.57291	1.2
73.06561	1.8
77.03933	1.1
79.05499	75.6
81.03425	15.7
81.07062	72.8
83.04987	16.2
83.08627	10.9
85.06541	4.2
85.10181	2.0
87.72958	1.3
91.05490	82.7
93.07050	60.2
95.01344	12.7
95.04980	24.8
95.08615	50.5
97.02898	1.7
97.06541	55.3
97.10168	5.6
98.97865	1.2
98.98475	17.9
99.08088	4.7
103.05452	4.6
105.04519	2.6
105.07039	85.1
107.04961	28.6
107.08604	28.7
109.06525	6.9
109.10167	11.2
111.04436	1.6
111.08077	3.3
113.09663	2.0
115.05459	3.4
117.07031	20.5
119.08586	51.3
121.06520	3.7
121.10164	11.3
123.04435	3.8
123.08085	9.0
123.11727	2.8
125.09625	1.7
128.06235	3.6
129.07024	16.4
130.02872	1.1
130.07802	2.4
131.04933	1.5
131.08578	20.3
132.09215	1.1
133.06480	2.3
133.10146	42.7
135.08075	5.3
135.11710	7.8
137.09637	4.1
139.07549	3.2
141.07045	3.5
143.08556	9.9
145.06470	3.3
145.10139	21.7
147.08040	3.0
147.11705	33.0
148.99901	1.1
149.09656	10.5
149.13281	3.9
151.11209	2.8
155.01065	22.4
155.08575	2.4
157.10147	5.5
159.08011	1.7
159.11693	14.1
161.09628	4.4
161.13290	15.1
163.11163	7.7
165.09056	3.0
168.57832	1.2
169.10136	4.1
171.11684	19.5
173.13295	3.8
175.11240	1.1
175.14832	2.4
177.12825	5.1
179.10796	1.3
179.14307	19.7
183.11729	2.8
185.13231	2.6
187.11183	5.6
189.12788	6.2
195.00426	1.4
197.13257	2.7
201.12740	1.4
205.12363	2.0
207.13774	10.1
213.16309	1.2
219.13895	1.8
223.13402	1.3
225.14813	1.7
229.19501	2.1
239.17969	2.8
239.23808	1.7
241.14473	2.2
247.20605	5.2
255.16029	1.6
257.18970	5.9
259.20520	2.3
263.16272	2.3
273.91681	1.0
275.20078	100.0
279.15955	9.2
281.17551	1.4
293.21143	8.2
313.27469	14.1
349.23859	3.3
393.24075	1.5
537.35840	2.5
555.29358	4.7
555.36798	49.6
556.37195	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	553.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69859	1.3
55.05514	8.6
57.03438	1.7
57.07071	8.4
67.05493	6.6
68.99799	5.5
69.07070	11.2
69.53536	3.0
69.53938	8.2
71.08628	4.2
79.05499	5.2
81.07054	10.2
83.04963	2.6
83.08610	6.7
85.02936	1.4
85.10191	2.2
91.05485	3.6
93.07030	7.4
95.08631	8.5
97.06551	3.7
97.10172	5.5
105.07056	1.9
107.04908	1.6
107.08565	6.9
109.06483	2.1
109.10146	3.4
111.00816	18.3
111.04431	2.7
111.08111	2.1
117.07079	1.5
119.08611	2.0
121.10146	5.4
125.05988	2.7
125.09638	3.4
125.66267	1.4
127.03942	7.1
131.08582	1.7
133.10089	1.6
139.03925	13.4
145.10132	2.6
149.13258	2.9
163.14839	3.6
167.07053	2.3
173.13293	1.8
181.08586	2.6
181.90700	1.4
191.14427	2.2
195.10207	2.1
198.95355	1.3
205.15889	1.8
209.11700	1.9
209.15410	6.5
237.14929	1.9
251.16452	29.8
257.21118	16.7
271.60382	1.5
279.15927	100.0
280.16226	1.8
297.17017	3.6
328.44583	1.9
353.19580	6.5
509.25519	1.7
535.36371	27.4
553.38739	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	552.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
55.01865	3.8
55.05510	10.6
57.03429	2.5
57.07070	1.5
61.02931	2.1
65.03932	1.5
65.05370	1.2
66.04624	1.0
67.05508	25.0
68.99792	1.3
69.03447	8.9
69.07067	7.2
70.12299	4.6
71.04988	2.3
73.02923	2.2
75.31921	1.1
79.05492	10.6
81.03410	8.6
81.07059	34.2
83.04999	1.7
83.08626	5.8
85.02905	22.3
85.06609	1.3
87.00837	8.5
91.05492	5.3
93.07039	10.4
95.08608	32.7
97.02876	7.1
97.06527	1.6
97.10172	9.1
99.04458	4.2
105.01885	7.1
105.07021	4.3
107.08600	10.1
109.02871	7.5
109.06538	1.2
109.10159	24.7
111.08090	2.2
117.07006	2.2
118.15276	1.2
119.08585	4.4
121.10127	10.6
123.11723	11.3
125.05979	1.7
125.09637	7.0
127.03900	11.8
129.01805	1.4
131.08597	3.3
133.10097	5.6
135.08089	1.7
135.11754	6.1
137.09651	2.8
137.13220	2.7
145.04967	4.7
145.10139	4.3
147.11684	1.7
149.13272	3.4
151.11214	2.4
155.10622	1.2
159.02943	3.8
159.11658	4.5
164.07167	1.4
173.13159	1.8
175.14838	1.2
181.12178	1.3
189.11182	1.7
189.16415	1.2
195.13852	1.9
205.19627	2.1
215.18024	9.4
231.04930	2.1
233.19034	13.4
241.67401	1.4
251.20084	64.1
269.21133	100.0
270.21838	1.3
287.22177	30.3
486.96277	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.1
55.05513	1.0
57.03453	0.5
57.07082	1.1
61.02906	0.3
65.03942	0.5
67.05504	3.1
69.03443	2.5
69.07082	2.3
70.04131	0.3
70.28992	0.4
70.29332	1.1
79.05502	8.3
80.59209	0.4
81.03436	1.0
81.07062	100.0
82.07406	0.5
85.02917	3.3
87.00835	15.9
87.04479	1.7
93.07038	0.7
95.04955	0.4
95.08615	15.5
97.02899	62.9
105.01873	9.0
105.07026	0.4
109.02905	0.4
109.10155	0.8
115.03918	1.9
116.73079	0.4
132.85356	0.4
137.13263	20.6
143.03432	0.5
145.04973	0.7
148.35037	0.4
154.15901	0.6
157.26118	0.4
182.04208	0.3
182.28038	0.3
183.03000	0.6
201.03958	28.2
201.41615	0.4
219.05008	11.0
236.07513	1.0
319.10153	0.7
345.08185	9.4
363.09198	3.0
462.56012	0.4
578.22803	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
55.05512	0.8
57.03440	0.6
57.07084	1.1
65.03943	0.5
65.94051	0.2
66.34396	0.2
67.05511	3.6
68.99789	0.3
69.03428	2.2
69.07069	2.7
69.76849	0.2
70.28548	0.5
70.28947	0.4
72.92171	0.2
79.05495	8.4
81.03426	1.1
81.07060	100.0
83.05019	0.3
85.02907	4.8
87.00833	17.1
87.04482	1.6
91.05470	0.4
93.04424	0.2
93.07049	0.7
95.04980	0.6
95.08611	14.7
97.02897	58.6
99.04459	0.3
103.03924	0.3
105.01868	8.4
107.08607	0.3
109.10144	0.9
115.03947	1.5
119.08528	0.3
123.11693	0.2
127.03930	0.6
133.10197	0.3
137.13260	19.3
138.13602	0.3
145.04971	0.6
154.15935	0.5
183.02887	0.5
201.03947	25.8
201.80087	0.3
219.05009	8.7
225.03882	0.3
236.07603	0.9
251.18201	0.2
313.04486	0.2
319.10126	0.4
327.07083	0.2
345.08179	8.0
363.09235	4.0
424.59119	0.3
473.20892	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.7
55.05521	12.0
57.07075	7.0
65.03951	3.5
67.05511	23.9
69.03439	1.7
69.07069	14.0
69.38480	5.2
69.38905	8.5
79.05496	19.6
81.07066	39.9
83.08624	7.0
85.06538	2.2
85.10162	2.0
91.05486	39.1
93.07053	50.1
95.04970	4.6
95.08611	39.5
97.10222	2.2
103.05427	2.9
105.04546	1.5
105.07040	67.1
107.08599	47.5
109.06532	2.0
109.10172	38.1
110.16126	1.6
112.83326	1.7
115.05453	3.5
117.07012	13.4
119.08588	100.0
121.10157	44.0
123.08050	2.7
123.11716	11.9
125.09621	1.6
128.06247	3.3
129.07021	9.8
130.07811	5.2
131.08574	29.3
133.10139	53.6
135.11713	32.0
137.09642	3.5
141.07022	4.4
142.07820	15.1
143.08571	21.7
144.09332	6.9
145.10136	64.2
147.11697	15.9
148.07843	1.6
149.09665	4.7
149.13284	5.6
155.08560	9.2
156.09367	10.3
157.10138	36.3
158.10957	7.2
159.11711	34.4
160.12523	2.0
161.13283	9.4
163.11205	2.0
164.97789	1.7
165.07066	1.9
167.08643	1.7
168.09409	2.2
169.10155	15.7
170.10884	3.6
171.11690	18.6
172.12590	2.7
173.13289	23.5
173.14671	2.8
175.14839	34.0
179.08606	5.7
180.09354	2.3
181.10139	8.3
182.10922	6.3
183.11710	14.5
184.12422	1.6
185.13280	13.9
187.14835	14.7
189.16382	4.1
193.10150	6.9
194.10950	4.9
195.11702	8.6
196.12521	3.7
197.13322	16.5
198.14044	2.0
199.14783	9.3
201.16405	11.6
206.10945	3.2
207.11713	7.4
208.12469	3.9
209.13248	14.9
210.14136	2.3
211.14833	12.2
213.16412	5.1
219.11789	2.4
219.17427	2.4
220.12555	2.2
221.13205	8.0
222.13878	2.1
223.14827	8.4
225.16434	6.1
227.17929	2.6
232.12352	1.7
233.13316	3.6
235.14851	5.0
237.16385	4.2
239.17914	3.3
241.19490	3.7
245.13295	2.6
247.14864	3.4
249.16148	2.0
251.17924	2.7
253.19562	3.4
257.18863	2.2
259.20572	2.6
261.16339	5.0
263.17914	3.5
265.19501	3.8
267.21100	5.9
271.20465	2.4
273.16403	2.3
275.17892	3.0
277.19562	3.6
279.21210	2.1
283.20560	2.5
285.22208	3.1
317.23007	2.2
345.25830	3.3
402.94617	1.7
411.30542	2.3
429.31650	2.6
459.36063	2.4
495.35931	3.4
533.41382	3.2
551.42517	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	551.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77610	1.9
53.03954	3.5
54.11759	1.7
55.01866	11.4
55.05511	18.4
57.07073	3.4
67.01846	2.1
67.05503	23.3
68.99802	12.1
69.03432	3.1
69.07066	20.9
70.05258	9.5
71.04980	1.9
79.05489	12.6
81.03431	7.6
81.07059	31.0
83.01338	2.8
83.04974	6.2
83.08619	12.9
85.02890	4.9
85.06541	2.0
91.05476	11.8
93.07049	19.1
95.04964	6.2
95.08617	31.4
97.02895	4.4
97.06545	14.6
97.10182	12.2
105.07039	12.7
107.04947	5.9
107.08594	12.7
109.02895	4.5
109.06519	6.6
109.10168	12.2
111.00819	25.2
111.04453	7.9
111.08089	6.2
111.11717	2.6
113.02303	2.1
117.07044	2.4
119.04997	2.1
119.08615	9.1
121.02869	10.7
121.06519	5.2
121.10146	12.7
123.04431	3.5
123.08066	4.5
123.11713	4.3
125.02365	4.8
125.06013	5.1
125.09666	3.2
127.03912	17.8
129.07027	3.4
131.08566	6.5
133.10135	7.5
135.04391	2.2
135.08083	5.1
135.11711	6.8
137.02336	6.2
137.09650	4.4
137.13284	4.4
139.03906	47.8
139.11130	1.8
141.07036	2.8
145.06519	2.3
145.10129	6.7
147.08051	2.7
147.11694	5.1
148.78642	1.9
149.05965	2.7
149.09624	3.3
151.03932	5.3
151.07515	2.5
153.01813	5.9
153.09158	2.9
159.07948	1.8
159.11714	4.5
161.05972	2.5
161.09702	2.4
161.13284	8.2
163.00212	2.3
163.03932	8.5
163.11182	2.6
163.14850	6.6
165.01778	2.4
165.05403	3.9
165.09096	2.6
167.07069	3.7
167.10667	5.1
168.91792	1.9
173.13333	2.9
177.12770	2.9
177.16432	4.4
179.03406	3.2
179.14339	2.5
181.08598	4.4
184.05763	1.9
185.13283	3.6
187.14749	2.3
189.05490	2.4
189.12700	2.0
191.03423	4.3
191.06987	2.2
193.08575	2.7
195.10199	5.6
195.17561	1.9
203.14384	2.5
205.04915	4.0
205.16034	4.3
207.02896	7.0
209.00865	3.4
209.11716	4.5
213.12848	2.1
217.04924	4.2
219.06400	2.6
221.15434	4.2
223.13269	3.5
223.16991	7.5
229.05072	2.1
231.02928	3.9
243.02928	3.4
245.15315	3.3
247.17004	2.1
249.03958	3.5
261.03711	2.0
263.16425	10.7
265.17990	38.6
265.20563	1.5
269.45883	2.0
273.14807	3.0
275.16431	2.0
283.13547	2.6
291.15817	10.1
293.17474	100.0
297.10922	1.8
301.14368	3.1
303.15833	3.3
309.20700	3.6
319.15393	3.7
329.13892	3.9
331.15436	2.2
333.17032	6.8
335.18771	2.9
341.17508	2.5
343.15240	3.8
357.17123	5.3
361.16455	8.0
375.14313	2.3
377.19431	15.8
385.16599	5.9
387.18237	4.0
403.17517	16.9
406.69293	2.0
409.16589	2.5
413.15860	3.3
431.17059	4.7
441.15128	2.3
443.17313	11.6
445.18607	6.5
449.17892	2.2
451.17566	13.5
453.19171	2.3
455.17068	4.3
459.19870	2.7
469.18622	10.9
473.17865	11.1
479.17163	16.9
485.18045	7.2
487.19528	7.7
489.21045	5.1
497.18118	24.8
505.20508	3.5
515.19196	25.8
533.20154	93.2
551.21252	37.4
551.29065	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	551.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45720	0.3
53.03936	0.5
55.01870	0.7
55.05495	0.5
65.03931	1.1
67.05494	0.5
68.78481	0.3
69.03432	1.5
69.07064	0.5
70.06583	0.7
70.96275	0.8
73.02948	0.3
81.03426	2.1
81.07054	0.6
85.02924	3.0
87.00811	1.3
91.05470	0.7
91.99104	0.3
92.04987	0.5
93.07031	0.4
94.06598	0.3
95.08606	0.5
97.02882	1.5
99.04439	0.8
105.01861	0.8
105.07011	0.5
109.02900	1.9
109.10155	0.4
118.27202	0.3
119.08553	0.5
122.09648	0.4
124.11220	0.4
127.03931	3.1
131.08585	0.4
133.10098	0.3
134.06033	0.4
136.07602	0.5
138.04428	0.7
138.05507	14.0
138.09143	7.7
143.08618	0.4
144.08119	0.4
145.04988	1.0
147.04445	0.6
150.09151	0.7
151.07651	0.3
152.07083	0.6
159.02893	1.2
161.09674	0.4
163.05083	0.5
166.05008	21.4
171.10458	0.7
178.05013	1.4
184.11240	0.5
196.09869	0.6
197.08348	0.4
201.10258	0.7
211.12277	1.0
212.10867	1.7
212.12440	0.4
213.13892	0.4
214.12395	3.2
228.08818	0.7
229.09666	0.7
229.13382	1.3
230.11798	1.5
231.04886	0.7
232.13266	2.2
239.11803	1.4
240.10239	0.8
241.13306	1.2
241.72957	0.5
242.11905	2.2
243.11310	0.9
252.36116	0.3
252.88663	0.3
256.08456	1.4
257.09229	1.4
257.12854	7.8
259.12131	0.6
260.12817	2.3
267.11285	1.3
268.09686	0.5
272.11581	8.8
274.09467	6.1
275.10315	0.8
275.13885	4.2
277.69208	0.3
285.12354	16.1
286.10812	1.1
303.13397	100.0
304.13788	1.9
305.18738	0.4
327.25360	0.4
342.39792	0.3
378.94421	0.4
517.61591	0.4
551.18579	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45720	0.3
53.03936	0.5
55.01870	0.7
55.05495	0.5
65.03931	1.1
67.05494	0.5
68.78481	0.3
69.03432	1.5
69.07064	0.5
70.06583	0.7
70.96275	0.8
73.02948	0.3
81.03426	2.1
81.07054	0.6
85.02924	3.0
87.00811	1.3
91.05470	0.7
91.99104	0.3
92.04987	0.5
93.07031	0.4
94.06598	0.3
95.08606	0.5
97.02882	1.5
99.04439	0.8
105.01861	0.8
105.07011	0.5
109.02900	1.9
109.10155	0.4
118.27202	0.3
119.08553	0.5
122.09648	0.4
124.11220	0.4
127.03931	3.1
131.08585	0.4
133.10098	0.3
134.06033	0.4
136.07602	0.5
138.04428	0.7
138.05507	14.0
138.09143	7.7
143.08618	0.4
144.08119	0.4
145.04988	1.0
147.04445	0.6
150.09151	0.7
151.07651	0.3
152.07083	0.6
159.02893	1.2
161.09674	0.4
163.05083	0.5
166.05008	21.4
171.10458	0.7
178.05013	1.4
184.11240	0.5
196.09869	0.6
197.08348	0.4
201.10258	0.7
211.12277	1.0
212.10867	1.7
212.12440	0.4
213.13892	0.4
214.12395	3.2
228.08818	0.7
229.09666	0.7
229.13382	1.3
230.11798	1.5
231.04886	0.7
232.13266	2.2
239.11803	1.4
240.10239	0.8
241.13306	1.2
241.72957	0.5
242.11905	2.2
243.11310	0.9
252.36116	0.3
252.88663	0.3
256.08456	1.4
257.09229	1.4
257.12854	7.8
259.12131	0.6
260.12817	2.3
267.11285	1.3
268.09686	0.5
272.11581	8.8
274.09467	6.1
275.10315	0.8
275.13885	4.2
277.69208	0.3
285.12354	16.1
286.10812	1.1
303.13397	100.0
304.13788	1.9
305.18738	0.4
327.25360	0.4
342.39792	0.3
378.94421	0.4
517.61591	0.4
551.18579	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.4
55.01875	2.1
55.05488	2.1
57.03439	12.0
61.02923	2.1
67.05497	1.9
68.99777	3.5
69.03436	24.0
71.01360	2.8
71.04996	36.8
71.55479	1.7
71.55899	1.9
73.02905	5.4
81.03427	22.5
83.04985	17.5
85.02911	100.0
87.00834	23.6
87.04482	2.2
91.05453	2.4
95.04969	3.8
97.01553	2.3
97.02912	17.9
99.04442	9.9
103.03944	6.4
105.01869	26.8
109.02879	23.6
111.04445	23.5
113.06052	3.1
115.03938	1.8
117.01855	1.8
119.04941	2.2
123.04446	2.2
125.02337	2.8
127.03926	50.4
129.01825	4.2
129.05489	17.8
135.04427	2.6
136.92375	1.6
139.03932	5.3
145.04984	13.5
147.02873	5.0
147.04475	8.7
147.06519	6.2
151.03914	5.1
157.04958	1.9
159.02898	6.1
163.73022	1.8
164.09152	2.0
169.04991	1.8
171.02922	2.1
181.04951	3.0
187.06026	2.5
189.03976	10.6
191.07068	2.9
193.05002	3.5
213.03973	9.7
213.07503	2.6
219.06303	2.0
231.05043	15.8
231.08638	3.1
237.07568	13.8
249.06090	4.7
255.08624	6.6
273.05972	3.8
305.15051	1.8
315.10745	5.4
341.08643	7.0
359.09644	5.7
377.10764	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	551.1038
Annotation	Quercetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
51.27766	0.4
53.03955	1.9
55.01861	1.3
57.03426	0.4
61.02924	0.5
65.67068	0.4
68.99787	1.5
69.03430	6.5
71.04984	1.0
71.56410	0.5
72.33226	0.4
73.02920	1.1
81.03429	5.8
85.02909	8.3
87.00837	5.4
97.02885	3.0
99.04454	1.8
99.88284	0.4
105.01874	2.0
109.02878	4.4
111.00814	1.0
117.01894	1.1
121.02914	0.6
123.04464	0.5
127.03922	7.0
129.01865	0.8
137.02357	4.2
139.67934	0.4
145.04977	1.6
145.32230	0.4
147.02872	0.4
153.01813	3.4
159.02869	3.7
161.05972	0.5
165.01854	1.8
173.06032	0.5
183.02908	0.5
187.03874	0.6
201.05466	2.6
229.04982	3.5
231.05022	1.6
247.05986	0.5
257.04453	2.5
263.25018	0.4
274.04794	0.6
285.03986	0.8
303.05017	100.0
304.05289	1.3
345.06195	0.6
389.12350	0.5
402.60178	0.4
578.78937	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	0.9
68.68983	0.3
69.72979	1.6
91.05483	9.0
98.20722	0.4
107.43113	0.3
114.19036	0.3
115.20835	0.3
119.04951	20.6
124.23637	0.3
128.29285	0.3
147.04417	100.0
148.04750	0.6
153.05516	0.4
163.03957	0.8
187.41957	0.3
224.49498	0.3
228.36264	0.3
249.03848	0.4
343.17960	0.4
403.49692	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03948	1.8
69.64445	3.3
71.01338	1.4
81.51101	0.6
91.05488	12.3
96.07737	0.6
99.00825	26.2
107.04968	1.6
116.87640	0.7
117.01835	1.0
119.04955	28.4
121.02908	1.5
147.04424	100.0
148.04739	0.8
149.05995	1.3
153.05495	0.8
163.03885	1.6
195.08122	0.7
201.00307	1.0
212.08310	1.9
213.09129	15.7
237.09323	0.8
247.06023	1.3
249.04108	0.6
265.08563	1.9
275.05331	0.8
293.08224	2.7
389.77908	0.6
413.08777	1.7
509.79071	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	19.5
57.03432	8.6
57.07064	7.9
67.05516	26.9
69.06757	3.2
69.07077	25.5
69.44804	2.4
69.45168	19.6
71.04988	8.5
71.08636	4.1
75.04477	2.5
79.05485	7.8
80.67059	2.2
81.07063	36.6
83.08622	36.6
87.08109	2.7
91.05481	4.8
92.05858	2.6
93.07047	9.6
95.04980	2.6
95.08611	65.1
97.06538	6.9
97.10165	10.1
98.20737	4.6
99.08122	2.5
101.09671	4.0
105.07069	3.7
107.08607	5.1
109.10170	37.5
118.78745	2.3
119.08575	4.4
123.11723	11.9
133.10120	4.1
135.11690	7.3
147.11687	3.6
165.16455	12.0
170.42657	3.1
175.14787	8.5
183.17329	2.5
211.78323	2.6
229.18011	48.8
229.84561	3.1
253.72821	2.5
276.59265	2.5
285.20627	100.0
292.95294	2.4
301.23740	10.9
363.25699	2.4
511.39984	58.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.4
53.03951	2.2
60.13446	0.4
69.03423	0.5
71.04987	0.9
71.56860	0.7
72.08139	0.5
77.03916	0.7
81.03419	4.2
85.02903	0.9
86.09678	0.6
95.04971	2.8
98.97573	0.5
99.04469	0.5
104.05006	8.4
105.04501	0.8
109.02866	2.6
113.06011	0.6
115.28674	0.4
119.01918	0.6
127.03963	0.6
132.04485	0.7
160.04005	1.2
178.05006	100.0
179.05371	0.8
196.06053	0.7
200.07649	0.5
214.08984	0.5
218.08731	0.6
242.08913	0.5
256.10361	0.8
260.09860	0.8
284.09857	0.7
336.10809	4.7
344.11896	1.0
354.11853	30.9
372.12994	5.0
441.34955	0.4
490.15900	2.3
548.16168	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.3
56.05042	1.2
58.06600	1.6
60.08168	18.1
65.03936	0.9
67.05502	5.2
69.07056	2.2
69.89564	1.7
69.89971	3.4
71.07378	6.4
79.05478	1.7
81.07063	4.8
83.08612	1.1
86.09712	55.7
91.05479	5.2
92.05806	1.1
92.64568	1.0
93.07028	1.0
95.08587	3.4
95.34206	0.9
96.74892	1.0
98.98468	3.8
104.10750	99.6
105.06995	1.2
107.08563	1.1
109.10181	0.9
119.04945	10.9
119.63531	0.9
120.05279	2.9
125.00014	30.7
135.11702	1.0
147.04414	24.4
148.04752	10.4
184.07353	100.0
185.07710	1.1
192.00890	0.9
192.68903	1.0
246.46800	1.0
258.10919	1.0
280.43970	1.1
309.15051	1.3
310.15472	2.9
327.16229	3.3
328.16446	4.9
351.17896	1.4
456.19052	2.0
473.19699	2.0
474.20068	9.9
475.19736	1.0
515.21399	0.9
530.23370	1.7
530.36005	10.2
548.37158	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64880	4.5
52.32076	4.3
53.03941	6.0
55.01875	10.6
55.05519	20.8
57.03435	10.3
57.07074	7.3
60.03851	3.6
60.08160	6.5
61.02929	5.3
66.51434	4.0
67.05513	78.7
69.07071	26.5
69.44746	28.6
79.05499	75.1
81.07063	66.5
83.08619	11.4
85.02902	5.1
85.06535	4.7
86.09719	19.3
88.04014	18.5
91.05493	71.1
93.07042	50.1
95.04977	9.1
95.08616	57.8
97.02853	6.0
97.06552	14.0
98.98476	15.0
103.53279	4.5
104.10760	31.7
105.07038	44.2
107.04991	6.6
107.08589	33.8
109.10159	30.2
117.07037	19.8
119.08593	31.0
121.10146	27.8
123.08077	6.6
123.11742	15.1
125.00050	6.3
129.05511	10.2
131.08614	22.9
133.10088	27.0
135.11705	20.4
137.13141	5.4
145.10172	15.5
147.11700	20.4
149.01184	6.2
149.09616	5.9
149.13301	8.8
157.10173	7.1
159.11719	11.5
161.13252	15.3
163.11246	5.1
163.14848	14.8
173.13309	14.0
175.14908	7.3
177.16457	7.1
184.07404	21.9
185.07741	8.0
201.16382	6.4
203.17949	10.0
243.21085	22.9
259.05997	4.9
261.22177	69.0
269.22845	7.2
276.20297	6.8
277.13736	12.0
289.13748	8.5
335.25748	8.2
353.26871	22.3
361.27374	100.0
452.67313	4.8
546.28302	8.2
546.35675	14.4
546.78662	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	546.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.4
56.05043	0.6
58.06643	0.5
58.94035	0.1
60.08168	6.3
60.42934	0.1
67.05511	0.6
69.07072	0.3
69.99339	0.4
69.99740	0.2
71.06973	0.2
71.07377	3.6
74.71656	0.1
79.05514	0.4
81.07059	0.6
83.08651	0.2
86.09711	31.4
89.19259	0.1
91.05484	0.3
93.07057	0.5
95.08624	0.5
98.98472	3.4
104.10748	3.2
105.07054	0.3
107.08595	0.3
119.08572	0.3
121.10197	0.1
125.00011	21.3
131.08554	0.2
143.01083	0.3
145.10167	0.2
166.02670	0.1
184.07350	100.0
185.07684	0.2
258.11002	0.2
294.66745	0.1
495.54388	0.2
528.34235	1.1
546.35455	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.1
56.05042	1.2
56.05841	0.5
57.03441	0.9
58.06619	1.5
60.08166	17.3
65.03956	0.6
67.05515	4.8
67.22409	0.5
67.59413	0.5
69.07079	1.7
70.36990	0.4
70.49924	0.4
70.98634	0.5
71.04968	0.5
71.07379	8.3
71.21059	0.4
79.05498	3.1
81.03432	1.5
81.07063	4.4
82.07430	1.0
83.08646	1.4
85.02905	0.8
86.09713	49.8
91.05488	3.8
93.07059	4.1
95.04994	1.0
95.08597	3.5
96.08932	0.6
97.10198	1.1
98.98474	4.1
104.10752	100.0
105.07050	2.4
107.08603	1.6
109.10158	1.3
117.07054	1.3
119.08619	1.1
120.08983	0.6
121.10165	1.2
125.00017	30.0
125.09623	0.7
131.08583	0.9
133.10159	1.6
135.11639	0.7
143.08589	0.5
147.11719	0.9
155.65393	0.5
163.01582	0.8
163.03867	0.6
184.07356	96.9
190.97061	0.5
193.12170	1.0
214.92422	0.5
258.10928	0.8
363.28848	0.7
528.34369	7.3
546.35376	25.6
547.10828	0.6
547.35522	1.0
554.84137	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.2
55.01870	2.7
55.05515	37.7
57.03451	10.9
57.07074	16.7
57.84624	2.1
63.54124	2.0
67.05223	2.5
67.05510	28.7
68.05837	2.5
69.06721	3.6
69.07072	58.7
69.24234	16.3
69.24641	5.2
71.04988	3.1
71.08627	10.0
71.51900	2.3
72.82164	1.9
73.06548	2.4
79.05501	26.9
81.03409	4.6
81.07065	39.9
82.92089	2.2
83.04974	6.2
83.08620	34.2
85.06545	3.1
85.10177	3.9
91.05466	9.5
92.05779	2.3
93.07056	28.4
94.07401	2.8
95.04964	4.1
95.08611	31.8
96.08942	2.3
97.06549	11.5
97.10178	21.3
105.07018	9.0
107.04922	2.7
107.08605	18.1
108.08910	2.2
109.10181	20.2
111.08089	6.3
111.11728	5.2
117.07008	3.2
119.08582	9.1
121.10151	23.2
123.11690	5.8
125.09623	6.8
129.07019	2.5
131.08542	3.9
133.10136	4.2
135.11685	24.3
137.09572	2.5
138.09918	2.3
139.11165	6.8
143.08542	2.4
145.10184	5.6
147.11719	3.0
149.13245	7.1
153.12747	4.8
157.10175	3.1
159.11690	3.4
160.12106	2.4
173.13245	2.5
185.13234	2.1
191.17921	13.4
209.19009	21.5
227.20084	7.8
227.73853	2.1
283.22720	20.3
301.23737	100.0
417.37094	3.9
435.38235	5.0
453.32895	3.2
471.33887	3.2
509.41937	4.3
527.36633	4.0
527.43250	22.6
545.37756	29.4
553.29950	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	545.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.4
53.03949	9.0
55.01866	4.2
55.05516	43.5
57.03443	8.2
57.07086	12.8
65.03931	5.1
65.37797	1.3
67.05509	84.7
69.03393	1.3
69.07072	51.2
71.04997	3.7
71.08637	6.2
71.57377	2.0
73.06574	1.6
75.04473	1.3
77.64572	1.3
79.05498	93.7
81.03427	17.0
81.07062	90.3
82.78745	1.4
83.04989	11.7
83.08627	27.8
85.06554	4.7
85.10206	1.6
91.05488	71.0
93.07052	63.9
95.04977	23.5
95.08612	60.5
97.06560	7.1
97.10171	14.1
99.08129	2.1
103.05511	3.1
105.04544	3.6
105.07037	42.2
107.04974	16.1
107.08600	25.6
109.06532	5.1
109.10163	18.5
111.08096	3.5
111.11746	4.1
113.09616	1.8
115.05424	2.0
117.07019	21.7
117.07736	1.9
119.08591	30.6
121.06581	4.9
121.10147	15.7
123.08085	3.2
123.11745	5.4
127.07597	2.0
128.06247	3.7
129.07008	17.4
131.04887	1.6
131.08603	14.9
133.06464	1.4
133.10149	12.1
135.08008	1.9
135.11697	15.5
137.13286	2.9
141.09129	2.2
143.08585	8.0
145.06511	4.1
145.10129	21.0
145.11156	2.1
147.08083	8.7
147.11696	33.5
147.12785	2.6
149.09673	2.2
149.13292	3.9
151.14841	1.6
155.08588	3.6
157.10172	1.6
161.09700	5.3
161.13280	12.7
163.11191	25.4
165.16628	1.7
171.11722	25.7
173.09639	12.0
189.12798	10.8
191.10660	10.2
199.05148	1.4
200.53799	1.3
207.13824	28.4
207.15712	1.8
225.15033	2.1
239.54169	1.6
245.22769	1.5
247.24318	3.7
262.25372	6.4
263.25793	6.8
265.14355	17.9
265.25192	8.0
337.27393	31.2
429.87070	1.5
495.02661	1.7
527.37067	9.1
545.42163	100.0
545.51215	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.0
55.01868	4.8
55.05516	26.7
57.03444	9.5
57.07070	4.2
60.08162	5.1
62.99918	1.3
63.15009	1.4
65.03947	3.8
67.05509	54.5
69.03430	3.0
69.07065	12.3
69.41412	10.7
71.04995	3.7
71.07382	1.9
79.05141	1.0
79.05495	54.9
81.03417	35.2
81.07062	58.1
83.04983	9.4
83.08627	21.9
85.02901	16.0
85.06518	2.0
85.91420	1.2
86.09715	10.0
91.05488	43.4
93.07051	47.1
95.04967	17.8
95.08609	33.5
97.02873	2.1
97.06541	4.9
97.10180	7.8
99.08073	2.8
104.10757	16.6
105.07037	33.9
107.04971	4.5
107.08603	28.5
109.06528	4.9
109.10157	12.9
111.08095	7.9
113.06033	2.7
115.05488	2.9
117.07032	9.0
119.08588	21.7
121.06526	2.6
121.10156	19.3
122.06509	1.4
123.08088	4.4
123.11706	5.1
125.00027	4.8
125.09610	7.5
128.06227	2.4
129.07019	10.6
131.08568	18.7
133.06506	2.5
133.10158	16.2
135.08147	1.8
135.11699	12.2
141.07071	1.9
142.07831	1.9
143.08604	5.7
145.10130	10.5
147.08038	2.7
147.11707	13.6
147.23199	1.6
149.09666	2.4
149.13216	6.7
151.11191	1.5
155.08615	1.9
157.10130	9.0
159.11700	9.9
161.13330	7.0
163.03952	2.5
163.11201	1.8
163.14861	1.7
169.10150	2.2
171.11749	4.4
173.13304	5.8
175.11206	8.7
175.14845	2.7
183.11801	2.5
184.07323	17.6
185.13268	3.2
187.14905	4.0
189.11261	3.3
193.12257	30.2
199.14885	2.8
201.16472	3.3
211.13304	36.0
211.15181	2.1
223.14819	1.6
225.16565	1.6
227.12897	3.5
235.57433	1.5
259.20679	1.4
261.22083	6.5
267.15848	7.6
285.22226	2.2
301.07117	1.7
301.25360	7.0
303.23224	2.5
317.24588	1.8
335.25867	4.4
359.25974	1.6
417.31735	2.1
435.32605	6.4
453.33920	4.6
466.66824	1.7
471.34866	4.1
509.36237	2.5
527.37347	25.8
528.35114	2.2
537.34393	1.6
545.38440	100.0
546.36456	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.1
53.61485	1.1
54.05115	1.2
54.05931	1.5
55.01874	3.7
55.05514	31.8
56.74207	1.4
57.03447	8.8
57.07071	3.3
62.80238	1.3
65.03944	4.4
65.48685	1.5
67.05509	66.8
69.03435	4.6
69.07069	16.6
70.51897	1.4
70.76694	3.9
70.77052	1.5
71.04996	5.9
71.07421	1.4
74.42168	1.5
79.05498	63.9
81.03423	49.4
81.07061	59.6
83.04992	11.5
83.08627	22.2
85.02915	22.3
85.06544	3.4
86.09692	5.0
91.04900	2.5
91.05482	49.7
93.07047	63.2
94.85560	1.4
95.04978	25.1
95.08609	38.0
97.02917	1.8
97.06538	7.3
97.10165	8.9
99.08076	1.6
105.04514	3.5
105.07039	36.7
107.04977	4.3
107.08604	29.7
109.06537	5.1
109.10154	17.4
111.08088	10.0
117.07009	12.6
119.08595	28.5
121.06532	3.7
121.10157	29.0
123.08055	3.1
123.11719	3.6
125.00041	4.6
125.09621	3.9
128.06329	1.6
129.07022	12.1
131.08575	22.5
133.06503	2.9
133.10132	18.7
135.08099	2.9
135.11711	13.7
137.09647	2.2
142.07797	2.1
143.08560	5.3
145.10149	13.2
147.08063	2.5
147.11714	16.7
149.09636	6.2
149.13306	5.7
153.12691	1.7
155.08578	1.6
157.10147	12.6
159.11684	8.2
161.13300	5.2
163.11214	2.9
163.14905	2.1
165.12799	5.4
169.10179	3.3
171.11702	3.2
173.13354	3.8
175.11211	13.5
175.14877	2.1
183.11682	3.2
184.07347	19.5
185.13336	3.1
187.14851	4.2
189.11232	1.8
193.12238	41.4
197.13370	1.9
199.14877	2.7
201.16508	2.0
211.13310	44.2
211.15250	2.8
227.12979	3.4
243.21188	1.7
261.22067	6.7
267.15887	6.8
285.22290	1.9
301.25320	5.8
317.25125	1.7
335.25851	3.4
435.32599	5.3
453.33649	3.8
471.34570	2.7
527.37451	24.0
545.38403	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	7.2
55.01862	4.8
55.05259	2.3
55.05512	32.1
57.03446	12.1
57.07082	2.8
59.05001	1.8
61.62604	1.4
65.03941	3.9
67.05510	65.6
69.03432	4.3
69.07069	17.0
71.04986	6.0
77.03947	1.4
79.05499	64.5
79.05967	3.2
80.78509	1.7
81.03426	47.0
81.07065	63.4
83.04982	9.4
83.08633	19.6
85.02903	19.0
85.06541	2.8
85.31168	1.5
86.09665	1.5
88.84493	1.7
89.06052	2.0
91.04903	1.7
91.05487	54.9
93.07052	61.6
95.04980	27.1
95.08610	41.5
95.09221	1.5
97.02937	1.9
97.06554	7.7
97.10162	8.4
98.21495	3.7
99.08081	1.6
103.05451	2.0
105.07038	37.3
107.04962	3.4
107.08605	32.0
107.09290	2.6
108.06210	1.4
109.06551	3.1
109.10152	15.0
111.04479	3.1
111.08080	8.7
113.06063	2.4
114.31956	2.0
115.05465	2.9
117.07030	14.5
119.08591	29.1
121.06523	4.0
121.10152	26.0
123.08071	3.9
123.11713	5.7
125.09637	6.0
128.06218	1.5
129.07010	10.9
131.08571	18.5
133.06512	1.7
133.10149	18.5
135.08107	1.8
135.11707	12.7
137.09669	2.0
142.07727	2.3
143.08606	4.8
145.10146	14.2
147.08046	3.6
147.11670	18.0
149.09572	7.1
149.13281	4.5
151.11258	2.0
155.08577	2.6
157.10139	11.5
159.11719	9.5
161.13284	5.0
163.14871	2.2
165.12865	3.5
169.10123	3.3
171.11780	4.7
173.13295	6.8
175.11172	11.3
175.14838	3.4
177.12660	1.7
181.10153	2.0
183.11761	3.4
185.13286	2.4
187.14870	2.7
189.11314	2.5
193.12250	40.7
211.13300	45.4
211.15218	2.7
225.14156	1.6
227.12828	4.7
229.53841	1.7
241.19455	1.9
249.15080	1.7
259.20621	1.6
261.22223	5.9
267.15994	6.9
285.22250	1.9
299.23422	1.6
301.25345	4.6
315.23145	1.7
335.25906	6.1
435.32520	7.1
453.33783	5.6
471.34769	4.5
527.37415	20.7
545.38422	100.0
546.38879	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	545.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.2
53.03958	5.8
55.01878	4.7
55.05513	27.3
57.03437	10.6
57.07065	3.3
59.05005	2.1
65.03931	4.7
66.36336	0.8
67.05509	68.2
69.03433	4.4
69.06712	1.5
69.07071	19.2
69.81316	5.4
70.27599	0.9
71.05006	6.3
71.08629	2.0
79.05498	68.4
79.58171	0.8
81.03423	44.3
81.07062	65.6
83.04984	11.4
83.08624	22.9
85.02904	21.8
85.06534	2.9
91.05486	52.0
93.07053	60.8
95.04372	1.4
95.04976	24.6
95.08612	40.6
96.08971	1.1
97.02898	2.0
97.06560	6.2
97.10165	8.3
97.53550	1.0
99.08101	1.8
103.05495	1.3
105.04517	2.0
105.07033	36.0
107.04995	5.3
107.08604	30.2
109.06526	6.4
109.10162	15.0
109.18213	0.8
111.04417	1.6
111.08096	9.0
113.06004	2.4
115.05473	2.6
117.07029	10.0
118.72499	0.8
119.04967	1.0
119.07914	0.8
119.08588	31.8
121.06486	2.8
121.10153	32.1
122.36812	1.0
123.08071	3.6
123.11716	4.3
125.09638	2.9
128.06245	1.4
129.07011	10.2
130.07758	1.2
131.08569	20.4
133.06519	2.3
133.10149	17.8
135.08089	2.7
135.11713	14.6
137.09650	2.6
141.07002	1.3
142.07761	2.1
143.08577	3.1
145.06392	1.1
145.10143	11.8
147.08087	2.3
147.11691	17.8
149.09650	6.7
149.13295	5.3
155.08499	1.3
157.10127	11.5
159.11703	9.1
161.13260	5.5
163.11203	1.6
163.14851	1.7
165.12747	2.8
169.10118	2.4
171.11749	2.5
173.11971	1.0
173.13234	4.7
175.11200	12.8
175.14847	2.2
183.11740	1.8
185.13298	1.3
187.14900	3.9
189.11299	2.2
189.16461	1.1
193.12260	43.3
197.13327	1.7
211.13298	42.0
227.12785	3.7
237.16389	1.1
243.21255	1.3
245.74820	1.1
249.14954	1.1
261.22137	9.5
267.15891	5.9
285.17014	1.1
285.22266	2.4
301.22046	0.9
301.25116	4.5
303.23288	1.3
317.24637	2.7
335.25757	4.5
359.25879	1.4
417.31400	1.9
435.32727	6.3
453.33633	4.2
471.34879	3.7
509.36475	1.5
527.37384	20.7
545.38385	100.0
546.39081	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.34
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.2
56.05036	0.6
57.03442	0.1
58.06633	0.3
59.07392	0.1
60.08168	6.5
63.49639	0.1
67.05511	0.4
69.07088	0.1
70.60394	0.3
71.07378	3.6
79.05511	0.3
81.07066	0.4
86.09710	32.1
87.10043	0.1
91.05496	0.5
93.07048	0.3
95.08619	0.2
98.98471	3.7
104.10751	3.6
104.42108	0.1
105.07057	0.2
107.08593	0.1
119.08578	0.2
121.10160	0.1
125.00009	23.0
131.08549	0.1
143.01035	0.3
171.11935	0.1
184.07349	100.0
185.07675	0.5
244.39992	0.1
258.11063	0.3
268.36597	0.1
526.33002	0.8
544.33911	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.34
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.6
55.05504	0.9
56.05041	1.8
57.03425	0.4
58.06581	1.5
59.07398	0.3
60.08168	17.5
65.03930	0.3
67.05508	2.2
67.24306	0.2
69.07077	0.4
70.06567	0.3
70.76017	0.8
71.07377	7.5
79.05480	2.1
80.73324	0.3
81.07066	1.8
86.09710	55.5
91.05486	2.7
93.07030	1.4
95.04987	0.7
95.08606	1.5
97.06495	0.4
98.98479	5.1
104.10748	100.0
105.07050	1.5
107.08615	0.5
117.07007	0.3
119.08595	0.8
121.10114	0.3
125.00011	32.2
129.05525	0.3
131.08560	0.5
133.10146	0.4
163.01596	0.5
171.11665	0.3
181.02621	0.3
184.07347	98.3
192.50171	0.3
203.18071	0.3
222.30421	0.3
254.43102	0.3
258.11108	0.9
526.32977	8.0
544.34015	23.0
545.34180	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.312
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33413	4.1
52.68637	4.2
53.03948	6.4
54.05718	4.4
55.05506	16.6
57.07079	7.5
61.02953	4.4
67.05515	21.1
69.03439	17.9
69.07076	17.3
69.85563	4.4
70.42834	12.1
70.43219	8.2
78.66723	4.1
79.05486	21.0
79.79409	4.0
81.03419	19.1
81.07053	39.2
83.04994	4.5
83.08605	14.2
85.02923	34.9
85.06551	17.2
87.00834	12.2
91.05481	15.5
93.07053	45.9
95.04986	5.3
95.08620	51.2
97.02909	13.5
97.10150	6.1
98.21493	5.0
99.04462	5.0
99.08085	9.1
105.01900	9.2
105.07041	32.0
105.43986	4.3
107.08591	51.6
109.02885	9.9
109.10167	45.5
113.09664	27.8
114.16142	4.0
119.08598	39.1
121.10148	65.2
123.11723	27.3
125.09666	6.5
127.03961	21.8
131.08586	13.3
133.10133	72.3
135.11691	56.9
137.09677	10.7
139.11186	10.5
145.10123	30.8
147.11720	32.1
149.13275	14.0
158.10886	6.0
159.02812	4.1
159.11707	30.5
161.13258	23.7
163.11104	5.0
163.14835	11.8
173.13295	55.4
175.14886	8.9
177.16455	6.6
187.14813	40.4
191.14293	6.3
201.16408	13.8
203.17958	31.0
205.15907	9.6
231.05026	5.1
241.19548	5.1
243.21126	66.8
261.22137	100.0
472.12238	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	544.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02970	4.3
53.03942	9.3
55.05509	19.1
59.54697	4.7
66.30813	4.3
67.05511	29.7
69.03420	17.9
69.07069	21.4
71.04996	13.1
71.56674	6.4
79.05499	20.9
79.94037	4.2
81.03417	12.7
81.07066	55.4
83.04959	4.7
83.08622	15.1
85.02914	31.7
85.06537	24.3
87.00830	18.6
91.05483	20.4
93.07059	57.0
95.04992	6.6
95.08613	73.0
97.02897	17.9
97.06507	6.7
97.10172	7.2
99.04455	8.0
99.08086	5.7
105.01900	12.3
105.07029	41.3
107.08604	64.7
109.02888	16.9
109.10160	48.1
113.09675	23.7
117.06977	11.8
118.43591	5.5
119.08572	44.0
120.20936	5.8
121.10152	89.0
123.11696	29.1
125.09649	5.2
127.03934	21.4
131.08568	21.1
133.10147	88.7
135.11702	69.0
137.09550	11.5
139.11150	12.5
143.08568	9.6
145.04884	10.4
145.10147	41.8
147.11678	39.6
149.13300	17.4
158.10992	5.3
159.02831	7.6
159.11711	55.3
160.53700	4.7
161.13237	20.6
163.14958	6.8
173.13283	72.9
174.67033	4.7
175.14857	5.7
177.16365	9.0
187.14842	52.5
201.16444	21.8
203.17992	53.0
205.15874	9.5
241.19524	7.0
243.21121	74.7
261.22205	100.0
493.90475	5.4
536.20374	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	7.0
55.01881	3.8
55.05519	18.2
57.07069	8.4
57.18188	3.4
59.04989	3.0
60.95016	3.4
61.02926	4.2
61.45502	4.3
66.90558	3.4
67.05499	19.3
69.03432	16.1
69.07066	20.6
69.42916	25.4
70.04067	13.1
71.04978	8.3
73.02925	4.5
79.05487	12.8
81.03428	15.5
81.07066	47.4
83.08614	14.4
83.11565	3.1
85.02482	4.1
85.02917	41.3
85.06552	32.5
87.00845	19.4
91.05498	17.2
93.07047	38.7
95.04967	6.2
95.08618	61.9
97.02896	14.5
97.10152	5.8
99.04439	4.8
99.08096	8.0
105.01860	13.8
105.07043	35.7
107.08604	56.9
108.04505	3.3
109.02882	13.5
109.06521	4.3
109.10175	41.1
113.09657	18.1
117.06992	4.5
119.08596	34.7
121.09310	5.6
121.10155	81.9
123.11708	27.9
125.09621	11.1
127.03904	25.9
131.08578	19.9
133.10146	84.4
135.11696	56.1
137.09608	5.3
139.11188	13.0
144.09335	5.7
145.04948	9.2
145.10146	35.6
146.73773	3.0
147.11682	35.1
148.80637	3.1
149.13200	16.9
151.11221	6.6
157.10197	3.5
158.10872	4.5
159.02925	8.5
159.11717	38.0
161.13216	17.9
163.14839	9.4
173.13301	52.8
174.14044	3.4
175.14827	12.3
177.16414	6.3
181.15904	4.4
187.14835	48.6
191.17992	4.1
201.16423	26.8
203.17961	52.1
205.15895	12.3
231.05060	5.2
243.21100	68.3
245.89278	3.2
261.22162	100.0
359.24341	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	543.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
54.23679	1.0
55.01882	5.3
55.05258	1.3
55.05516	24.0
56.57668	0.8
57.03444	4.4
57.07077	1.9
59.05011	1.6
62.00809	0.8
63.53551	0.8
65.03947	1.5
65.60733	0.9
67.05511	37.2
67.05874	1.9
69.03431	3.1
69.07076	11.3
70.63431	3.0
71.05001	2.3
79.05504	24.9
80.92059	1.0
81.03423	6.6
81.07065	33.3
83.04984	6.0
83.08624	13.3
85.02892	1.2
85.06524	1.8
89.49473	1.0
91.05489	24.7
93.07053	24.5
95.04975	7.9
95.08616	17.1
95.09212	0.7
97.06549	4.1
97.10178	18.4
105.07036	21.4
107.04961	4.4
107.08603	18.0
109.06532	3.4
109.10158	10.5
111.08099	3.3
115.05475	2.3
117.07030	12.9
119.08588	17.0
121.06505	2.3
121.10152	8.8
123.08094	3.0
123.11700	3.0
125.09639	14.5
128.06261	2.0
129.07008	9.6
130.07779	1.8
131.05072	1.1
131.08574	22.2
133.06529	1.2
133.08614	1.4
133.10144	12.4
135.08076	4.3
135.11714	7.6
137.09612	1.1
141.07021	4.1
142.07793	2.7
143.08574	9.6
145.06537	2.8
145.10133	18.6
147.08084	1.7
147.11665	5.2
149.09621	2.4
149.13293	2.4
151.11247	1.2
153.09155	1.4
153.12740	1.2
155.08559	5.4
157.10132	11.1
159.08125	2.3
159.11703	12.0
161.09605	1.8
161.13255	2.8
163.11218	4.7
163.14928	0.9
165.12766	1.2
167.08618	1.2
168.09390	1.2
169.10158	6.2
171.08130	1.1
171.10278	1.7
171.11665	10.1
173.09647	2.8
173.13254	7.9
175.11172	1.7
175.14842	1.2
179.08620	0.9
181.10112	2.7
181.12228	1.1
183.11717	5.3
185.09694	2.2
185.13306	7.1
187.11284	1.8
187.14856	2.9
189.11188	6.9
189.12621	0.9
191.10699	1.1
193.12332	2.8
195.11740	4.3
197.13208	4.3
199.11273	2.3
199.14841	4.6
201.12579	1.1
201.16505	1.8
207.11806	1.3
209.11667	1.8
209.13361	3.2
211.14929	2.8
213.16312	1.1
221.13339	1.0
223.14871	2.3
227.12747	11.3
227.14503	1.0
237.12766	0.9
237.16577	1.2
241.19666	1.0
243.15884	1.8
259.20627	3.6
261.22183	2.4
265.19659	1.9
267.16006	2.8
281.22681	1.5
283.20627	3.1
287.19986	1.0
297.22037	1.7
299.23706	13.3
301.21597	2.1
306.77072	1.0
311.20264	1.0
313.21814	1.2
315.23233	1.4
317.24872	1.1
325.21777	1.2
333.24338	1.9
355.26410	1.0
357.24475	1.1
415.29990	2.7
423.32541	2.5
433.31091	6.7
451.32098	11.7
469.33200	8.5
487.34140	2.8
507.34888	1.5
515.37701	1.1
525.35754	21.0
543.36859	100.0
544.37354	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	543.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	22.4
56.19365	5.9
56.96584	22.2
57.07095	8.9
65.03951	6.6
67.05510	34.6
67.12495	6.8
69.03449	21.0
69.05128	6.5
69.07095	19.6
70.92235	17.8
73.02888	6.4
79.05507	19.6
81.03442	16.4
81.07064	36.3
83.04988	13.5
83.08630	9.5
85.02922	41.8
85.06555	82.9
87.00881	7.4
91.05516	23.6
93.07072	30.0
95.04987	8.0
95.08635	44.4
97.02917	16.1
97.06557	11.1
97.10188	14.7
98.97628	15.1
99.08094	59.4
105.01859	8.1
105.07059	29.6
107.08582	40.8
109.02871	15.6
109.10172	45.7
113.09686	20.5
119.08644	23.8
121.06508	7.7
121.10167	50.5
123.08115	13.0
123.11744	9.3
125.09642	13.2
127.03964	23.3
133.10161	38.0
135.11719	12.7
137.06047	7.0
137.09627	13.5
139.11237	19.6
143.08612	12.2
145.05013	7.4
145.10222	12.0
146.87106	7.0
147.03314	6.4
147.11755	33.7
149.09682	31.1
149.13249	8.9
151.11183	7.9
157.10127	10.4
161.04947	8.4
161.13245	8.6
165.12863	11.8
167.10674	10.6
171.11771	9.5
175.14902	17.4
179.03311	6.6
185.13181	9.0
190.10101	8.0
201.16528	15.6
203.14357	9.7
217.08752	14.7
227.09657	8.5
231.04895	10.2
241.19402	8.7
259.20633	100.0
267.12820	8.9
277.14920	21.7
277.21713	26.2
295.15805	30.7
319.49390	7.5
337.17151	9.1
439.20651	13.9
457.21252	46.4
485.85571	6.8
499.22598	12.4
525.26685	13.8
543.21246	36.9
555.18018	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	543.332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.1
55.01873	5.3
55.05513	16.7
56.73553	2.5
57.03438	5.8
57.07074	4.8
65.03945	10.6
67.05511	57.2
69.03448	13.6
69.07068	15.7
69.31171	25.5
71.01344	2.8
71.04992	3.0
73.02871	3.5
77.38061	2.7
79.05501	42.2
80.05837	3.2
81.03422	19.7
81.07063	60.7
83.04992	5.7
83.08603	9.6
84.03304	2.5
84.42527	3.0
85.02906	5.7
91.05495	36.1
92.05840	3.3
93.07044	42.1
94.07365	6.0
95.04983	12.8
95.08609	37.6
96.08958	2.5
97.02876	5.7
97.06510	3.7
97.10154	3.7
98.21661	4.1
99.04478	6.0
103.03958	5.7
103.05443	4.0
105.07048	39.5
106.07376	3.4
107.04961	100.0
107.08612	21.0
109.02892	6.1
109.10181	15.5
111.04469	6.6
115.05470	6.1
117.07054	14.3
119.04924	2.5
119.08582	27.3
121.02882	57.3
121.06524	14.2
121.10149	20.6
123.11682	8.5
128.06244	3.3
129.07014	7.7
131.04968	3.2
131.08539	12.9
133.06485	23.7
133.10136	19.5
135.11671	14.6
141.06992	5.2
143.08553	4.8
145.06480	16.6
145.10155	9.1
146.10567	3.7
147.08084	10.0
147.11705	23.2
147.58064	2.6
149.13298	10.5
157.06464	17.2
159.08073	12.3
159.11676	8.1
161.06007	8.6
161.09608	6.7
161.13290	11.9
162.07817	2.9
163.07533	8.1
163.14845	4.3
165.07019	3.6
171.08093	11.4
171.11707	7.3
173.05934	4.1
173.09584	5.4
173.13272	6.2
175.07518	2.9
175.14896	3.9
183.08076	8.1
185.09671	5.7
185.13307	5.5
187.11076	3.1
195.08069	4.1
197.09641	5.4
197.38998	2.9
199.07419	3.4
199.11227	4.4
203.06990	9.0
211.11102	5.3
227.07117	14.1
229.08635	3.5
238.62007	3.1
241.19542	7.3
245.08109	4.2
259.20682	21.7
261.22183	8.4
263.23785	4.3
381.27969	4.0
383.30548	3.0
405.27405	5.0
423.27527	3.6
489.29886	8.4
507.30875	8.5
525.31909	5.5
542.54132	7.4
543.32178	16.2
543.39667	11.9
543.53906	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	543.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	8.7
55.05515	30.2
57.03436	4.7
57.07071	8.2
67.05508	24.6
69.03430	20.4
69.07079	15.6
69.44310	3.9
70.06604	9.2
71.04980	8.1
71.56496	7.3
79.05479	10.1
81.03418	18.0
81.07058	15.4
83.01349	4.6
83.04985	13.0
83.08630	7.8
85.02931	21.5
85.06060	8.2
85.06548	94.2
87.00827	7.4
91.05485	9.4
93.07041	18.9
95.04961	8.9
95.08617	34.2
97.02879	10.3
97.06551	6.3
99.04462	10.3
99.08099	74.0
101.06042	4.6
105.01889	6.0
105.07050	21.6
107.08611	42.4
109.02891	13.6
109.06560	9.3
109.10160	20.5
111.08100	7.6
119.08594	28.7
121.10157	44.3
123.08057	5.5
123.11740	7.2
125.09644	18.1
127.03915	17.4
132.06750	4.3
133.10109	35.5
135.11693	13.8
137.09618	6.0
139.11208	15.6
143.08562	8.6
145.04973	6.0
145.10143	17.0
147.08101	5.0
147.11668	28.5
149.09627	6.5
149.13319	4.8
150.19435	4.3
157.10255	5.0
159.11729	10.3
161.09564	4.7
165.12796	4.9
171.11766	8.9
173.13144	5.0
175.14874	11.0
177.12762	4.7
177.16440	9.1
185.13257	13.6
199.14883	8.6
201.16412	14.5
203.14375	9.4
217.15793	6.7
241.19614	10.4
259.20590	100.0
259.23352	5.5
277.21631	19.2
295.22757	8.3
481.27304	5.4
499.24344	4.9
525.26526	16.3
543.11566	5.2
543.24768	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.1
55.05522	21.2
57.03430	3.9
57.07078	10.3
61.55463	3.3
67.05509	30.5
67.69410	3.6
69.03434	18.6
69.07082	6.1
69.75807	22.2
72.39007	3.7
79.05492	13.2
81.03421	17.0
81.07063	17.2
83.01314	3.3
83.04982	9.4
83.08624	8.6
85.02906	30.4
85.06553	100.0
87.00826	11.8
91.05482	16.3
93.07049	23.8
95.04959	5.2
95.08620	33.5
97.02909	8.0
99.04438	6.7
99.08110	75.5
105.01860	8.3
105.07050	22.2
107.08611	36.8
109.02872	11.4
109.06523	6.7
109.10162	17.6
119.08595	30.5
121.10161	53.3
123.08085	7.8
123.11723	7.4
125.09634	16.2
127.03928	15.6
131.08643	6.0
133.10126	29.3
135.11726	8.0
139.11214	23.1
143.08568	3.7
145.04935	5.3
145.10127	8.0
147.11691	22.8
151.07492	6.3
157.10117	9.2
157.12193	5.3
159.11723	10.8
159.22035	3.5
161.13315	6.4
165.09035	5.1
165.12743	5.9
168.81613	3.7
171.11761	11.2
173.13313	5.6
175.11237	4.2
175.14850	12.0
177.16495	9.2
179.14320	6.6
185.13290	10.5
189.12802	6.9
196.92450	4.1
198.48640	4.2
199.14862	6.9
201.16458	10.6
203.14345	9.2
210.97633	4.5
213.16644	4.3
217.08684	5.1
241.19579	11.1
259.20615	90.1
277.21640	16.2
326.64124	3.8
377.24530	4.1
505.24631	4.4
525.26593	24.7
543.23853	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	543.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74318	4.1
55.01864	6.9
55.05516	24.2
57.03433	6.3
57.07087	10.3
65.44850	4.3
67.05502	33.9
69.03426	26.5
69.07076	15.7
70.74799	14.4
70.95869	7.1
71.04995	7.6
72.93801	10.9
79.05494	13.5
81.03427	18.0
81.07069	25.9
83.04984	15.3
83.08654	7.7
85.02913	29.1
85.06551	100.0
87.00839	11.6
90.94859	9.9
91.05495	19.6
93.07042	18.0
93.10617	4.5
95.04983	14.2
95.08619	36.5
97.02890	16.0
97.06531	6.1
97.10178	12.3
99.08102	87.8
101.06015	4.4
105.01871	8.6
105.07043	35.4
107.08600	38.5
109.02895	16.3
109.06509	10.7
109.10164	19.5
111.08090	7.4
113.09683	5.0
117.06944	5.1
119.08607	35.8
121.10152	52.0
123.08105	11.3
123.11729	9.6
125.09635	13.7
127.03934	14.0
131.08598	6.9
132.95856	39.6
133.10162	31.8
135.11691	16.0
139.11205	19.4
143.08566	6.3
144.95853	9.1
145.10143	9.1
147.11736	26.4
149.09607	5.4
150.96887	15.9
157.10081	9.8
159.11745	10.4
161.09647	5.1
161.13257	4.9
165.00038	5.9
165.09091	7.6
165.12723	6.3
170.10898	4.6
171.11737	6.1
173.13327	7.2
174.96889	53.0
175.14859	13.3
176.20784	4.3
177.16399	8.5
178.97986	7.7
185.13211	12.8
185.57588	5.0
186.96873	6.3
189.16344	5.0
192.97862	7.8
192.99472	6.0
199.14841	9.7
200.94887	5.0
201.16438	17.7
203.14279	4.9
216.97990	9.8
217.08633	13.1
227.05182	5.4
229.06769	8.9
231.04970	4.4
241.19514	9.7
259.20602	87.9
260.96890	16.9
277.21631	19.6
295.09943	28.4
326.17258	5.4
337.10965	12.9
378.90564	4.8
457.15292	17.0
525.26904	15.5
543.27155	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	542.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	5.1
57.07079	34.0
67.05501	6.7
69.07049	4.6
71.08635	22.5
71.57020	1.7
73.06548	7.1
75.45445	1.5
79.05466	3.4
81.07043	6.7
81.13220	1.5
83.05005	2.3
83.08630	3.3
85.10185	22.3
87.04468	4.0
89.06036	100.0
91.05479	6.2
93.07025	5.3
95.08607	2.6
97.10171	4.8
99.11722	4.8
105.07024	4.4
107.07059	3.1
109.10196	1.6
113.13305	2.5
117.09122	3.4
119.08605	1.8
126.72435	1.5
133.07634	3.0
133.08609	48.4
155.17949	4.2
177.11252	22.5
185.13211	1.8
199.20515	4.1
221.13853	1.9
239.14853	1.9
243.23241	10.2
249.45941	1.6
283.17538	2.6
287.25797	5.3
371.22742	4.4
449.36420	1.9
525.39697	7.5
543.36847	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	543.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61967	8.8
51.55502	7.6
55.01875	19.4
56.96581	10.1
61.02909	7.4
67.15939	7.3
69.03438	32.8
70.09820	25.9
73.02927	9.2
81.03413	24.7
85.02919	51.7
87.00835	16.0
97.02910	24.3
98.21144	17.2
105.01891	22.4
109.02885	35.3
122.29617	8.7
127.03934	57.7
135.04413	20.4
143.04868	11.4
145.04987	13.4
147.04469	23.9
149.06030	16.5
161.06013	32.5
163.03931	100.0
173.06029	16.0
175.03908	15.0
177.05501	15.8
178.06491	8.0
185.05894	10.1
189.05522	33.5
193.04987	36.9
205.04994	13.6
207.06544	12.5
213.05499	38.9
217.05022	18.4
227.07088	8.7
231.06587	19.2
233.04407	12.5
235.06128	18.5
241.05006	11.5
259.05957	45.7
277.07111	36.7
295.08197	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	541.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.5
52.56707	0.8
53.03949	10.0
55.01871	3.5
55.05515	26.6
57.03439	3.2
57.07075	3.0
65.03957	5.5
67.05511	82.3
69.03436	3.1
69.06714	1.5
69.07074	20.9
70.70300	2.4
71.04994	3.1
71.08611	1.0
73.06556	1.1
77.03915	0.9
79.05502	100.0
81.03432	7.8
81.07065	68.7
83.04992	9.7
83.08625	9.2
85.06564	2.5
87.04478	0.9
88.07616	0.8
91.04898	1.6
91.05490	69.9
93.07055	84.7
94.07375	0.9
95.04979	22.9
95.05553	1.5
95.08617	44.6
97.02886	0.8
97.06551	5.5
97.10177	4.9
99.08041	1.2
103.05470	2.1
105.04525	3.9
105.07043	48.3
106.03510	1.0
107.04961	7.6
107.08602	32.7
109.06526	6.6
109.10160	13.5
111.08099	3.0
115.05478	2.1
117.07033	13.9
119.08591	30.0
119.09461	1.3
121.06551	2.4
121.10162	20.1
121.11028	1.2
123.08073	5.9
123.11736	3.3
125.09702	1.0
127.07558	1.6
128.06218	4.0
129.07016	15.6
131.08583	13.9
131.09512	1.2
133.10132	14.2
135.08060	1.0
135.11717	12.4
137.09628	1.1
137.13332	0.9
141.07030	1.8
142.07813	1.9
143.08591	11.3
145.10133	16.2
147.08060	2.8
147.11703	31.9
149.13318	3.9
155.08577	3.7
156.09421	1.1
157.10121	4.9
159.11705	6.7
161.09647	3.0
161.13277	12.5
163.14795	1.1
169.10178	2.9
171.11726	25.9
173.13263	5.0
175.14867	1.9
177.12799	1.0
179.14438	1.2
181.10071	1.7
183.11743	3.2
185.13310	2.8
187.14873	2.4
189.12740	10.3
189.16270	1.0
195.11691	1.0
197.13281	2.3
199.14896	2.4
207.13812	25.0
207.15712	1.3
211.14857	2.2
223.14778	1.1
225.14810	1.1
243.21109	1.6
256.26352	1.5
261.22055	4.4
281.17566	2.4
317.24744	1.8
367.26218	0.9
369.28030	0.8
399.56760	0.9
431.32840	0.9
449.34058	4.5
467.35596	1.8
485.36301	1.3
523.37958	2.0
540.53271	1.9
541.38953	91.4
541.53625	5.6
542.39209	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	541.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	2.2
53.03944	10.9
55.01865	3.6
55.05515	26.2
56.56760	1.0
57.03425	3.4
57.07067	2.8
57.26199	0.7
57.91878	0.8
65.03949	4.5
67.05508	81.0
69.03426	1.9
69.06718	1.4
69.07072	19.9
70.06606	1.0
71.00774	0.7
71.04988	2.5
71.31371	2.3
73.06555	1.2
73.13807	0.8
77.03933	1.7
78.04689	0.9
79.05498	100.0
81.03424	10.1
81.07062	66.4
81.07447	0.9
81.07565	0.8
83.04987	9.2
83.08624	7.9
85.06550	2.4
88.07619	1.7
91.04893	1.3
91.05486	71.1
93.07050	83.5
95.04979	23.1
95.08614	44.9
97.02913	1.0
97.06538	5.9
97.10184	4.7
99.08094	1.0
103.05440	2.3
105.04557	4.5
105.07037	44.6
107.04960	6.8
107.08602	33.7
109.06546	5.7
109.10155	11.7
111.08089	3.0
115.05450	2.2
117.07024	12.6
119.08591	29.7
119.09458	1.5
121.06532	2.3
121.10152	19.8
123.08052	5.3
123.11720	1.4
128.06232	3.3
129.07010	16.2
130.07703	0.9
131.08575	14.1
133.10141	13.3
135.11693	12.2
136.86401	0.8
137.09595	1.3
141.07077	1.6
142.07864	1.0
143.08566	13.0
145.10118	15.2
147.08066	1.5
147.11690	28.8
149.13275	5.1
155.08563	2.0
156.09383	1.2
157.10164	2.2
159.11697	6.6
161.09656	2.9
161.13261	13.2
163.14861	1.1
167.08505	0.9
169.10158	3.8
171.11705	24.5
173.13303	4.5
175.14799	2.0
177.12737	1.0
179.14331	1.3
181.10228	1.5
183.11740	2.2
185.13297	2.9
187.14873	2.0
189.12747	9.8
195.11710	1.2
197.13268	1.1
199.14828	1.3
201.16457	1.0
207.13821	25.5
207.15726	1.6
211.14864	1.6
225.14792	1.9
256.26456	1.3
259.20825	1.0
261.22098	4.0
281.17471	1.8
311.29303	1.5
312.29602	1.0
317.24771	2.2
339.26880	0.9
418.06976	0.8
448.92484	0.8
449.34174	3.0
456.39368	1.0
467.35284	2.3
523.37793	3.4
540.53491	1.2
541.38934	92.2
541.53790	6.0
542.39294	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	541.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.4
55.01864	5.2
55.05512	26.2
57.03429	3.8
60.63623	2.2
67.05508	23.7
69.07059	11.3
69.92772	9.5
71.04997	2.6
79.05502	20.8
81.07055	24.4
83.08621	11.8
86.09702	2.8
91.05497	14.7
93.07046	12.8
95.04974	6.6
95.08607	14.4
97.06532	3.4
97.10172	17.8
105.07047	14.1
107.04968	4.0
107.08586	11.8
109.06519	3.8
109.10174	7.4
111.08090	3.2
112.06396	2.5
117.07032	10.3
119.08591	11.6
121.10191	3.7
123.11731	3.0
125.09660	12.2
128.06224	4.8
129.07016	10.7
131.08586	14.6
133.10127	7.6
135.08047	3.9
135.11739	3.3
140.52998	2.3
141.06992	5.3
142.07777	3.8
143.08536	14.4
145.10141	10.4
147.11685	4.1
153.07034	2.8
155.08592	6.5
157.10172	9.7
159.08063	3.5
159.11752	7.8
167.08603	5.4
169.10110	11.1
171.10457	2.6
171.11748	9.1
179.08505	2.9
181.10181	7.7
183.11731	10.2
185.09700	2.4
185.13278	7.8
187.11263	4.1
189.11215	6.5
193.10172	3.5
195.11746	6.7
197.13315	6.1
207.11610	4.5
209.13263	4.1
211.36310	2.2
213.12819	2.2
221.13513	2.5
227.12837	10.0
227.98064	2.8
235.14914	2.5
281.19037	2.8
297.22211	9.4
322.99829	2.2
421.30865	3.6
431.29572	7.0
449.30490	13.4
467.31534	9.5
483.24490	4.6
523.34039	18.3
541.35315	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	15.9
55.01876	9.3
55.05516	30.6
57.03434	12.6
57.07077	25.4
59.74670	4.7
59.86727	4.8
61.02919	20.6
65.03951	6.3
67.05511	89.4
69.03436	12.7
69.07086	30.0
69.84706	27.6
71.04993	10.2
71.08636	18.4
73.02914	5.7
79.05497	77.0
81.03424	16.4
81.07061	96.4
83.04996	12.8
83.08620	19.9
85.02902	10.9
85.06542	8.8
85.10147	6.8
86.61272	5.3
91.05492	100.0
93.07048	66.5
95.04982	16.6
95.08620	64.0
97.02878	10.4
97.06554	13.7
97.10194	12.3
98.21478	7.3
103.05451	5.4
105.07042	78.2
107.04981	7.2
107.08591	52.8
109.02973	5.3
109.06493	12.0
109.10139	17.1
111.08082	9.2
117.06995	36.3
119.08582	63.4
121.06470	7.1
121.10175	41.1
123.04448	7.5
123.11726	13.0
128.06261	9.8
129.05519	7.2
129.07034	34.9
131.08575	60.5
133.06494	6.4
133.10139	56.2
135.08060	16.3
135.11719	17.6
137.09631	7.1
142.07814	6.5
143.08549	26.6
145.10136	31.2
147.08003	9.2
147.11678	27.4
149.09622	11.6
151.11176	6.2
153.09064	5.8
155.08600	9.8
157.10095	28.8
159.11700	20.5
161.09586	15.5
161.13280	20.1
162.88898	4.8
163.11163	5.8
169.10059	9.7
171.11703	18.7
173.13304	14.4
175.11221	7.7
175.14781	12.6
177.16376	12.7
185.13284	19.0
187.14842	9.2
189.16362	15.2
191.17825	7.0
193.30495	5.2
199.14825	12.5
201.16389	9.7
203.14366	7.7
203.17995	28.1
213.16281	9.6
245.22604	8.8
259.24329	6.1
269.22665	42.6
283.19016	6.7
287.23663	61.7
356.70203	5.5
379.28329	35.4
420.38647	5.9
469.29620	7.0
523.34052	5.1
541.33807	12.9
541.53552	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	541.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	3.4
53.03939	9.0
55.01877	10.5
55.05511	25.5
57.03437	14.6
57.07071	13.7
57.53061	3.6
61.02937	19.0
65.03935	3.6
66.48827	3.3
67.05511	83.2
69.03436	8.1
69.07081	25.2
70.23048	12.1
71.08654	7.2
73.02927	8.2
79.05502	71.4
81.03429	9.3
81.06364	3.4
81.07063	83.8
83.04996	4.6
83.08615	15.7
85.02915	15.3
85.06558	16.0
85.10213	4.9
88.60275	3.1
91.03977	6.8
91.05487	100.0
93.07056	79.1
95.04988	13.0
95.08611	59.9
97.02900	14.3
97.06535	11.9
97.10171	7.8
99.08112	3.8
101.02364	3.7
103.03947	6.1
103.05476	3.9
105.07047	66.8
107.04959	6.5
107.07929	6.0
107.08600	40.7
109.06538	10.2
109.10176	17.4
111.04461	3.7
111.08089	7.9
115.03977	4.7
115.05433	4.4
117.07036	34.3
119.08591	66.0
121.06540	7.1
121.10158	44.9
123.08070	10.6
123.11700	8.0
128.06252	5.8
129.05495	9.2
129.07048	22.2
131.08578	51.5
133.06516	4.6
133.10138	39.7
135.08086	15.1
135.11653	16.3
137.09631	4.5
141.06989	5.9
143.08569	21.5
145.06551	4.9
145.10138	29.4
147.08058	4.8
147.11703	25.6
149.09639	18.0
149.13254	7.4
151.11102	3.9
151.14824	6.1
155.08556	5.9
157.10155	25.8
159.08060	4.2
159.11713	13.6
161.09615	10.9
161.13306	17.6
163.11186	7.4
163.14803	7.0
171.11687	37.1
173.13286	12.1
175.11206	8.1
175.14851	19.5
177.16431	5.5
183.11734	4.9
185.13281	27.9
187.07689	3.3
187.11201	4.7
187.14830	11.5
189.12718	6.9
189.16393	22.4
191.17975	8.8
197.13245	3.2
199.14865	11.1
201.16391	12.0
203.14322	4.9
203.17990	31.1
207.13820	6.1
213.16396	9.3
215.18037	6.7
227.18069	4.0
243.21065	4.5
245.18854	3.8
245.22691	14.5
259.24374	9.6
269.22693	32.3
287.23730	53.3
305.24811	11.9
361.27304	10.6
379.28571	39.4
403.28247	4.3
523.32703	8.2
541.32635	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	541.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	16.3
55.01858	9.8
55.05499	39.0
57.03427	19.0
57.07068	11.6
60.38795	10.4
62.32565	9.2
67.05505	64.9
69.03442	23.8
69.07052	34.9
79.05488	75.8
81.03407	25.7
81.07066	100.0
83.04928	11.1
83.08618	21.3
84.81501	9.6
85.02911	19.5
85.06524	13.0
86.86823	10.7
91.05504	91.7
93.07044	70.2
95.04970	20.4
95.08642	49.4
97.02876	12.6
97.10159	24.5
105.07032	63.7
107.08595	54.4
109.06510	14.4
109.10146	17.3
117.07020	44.3
119.08611	54.0
121.06527	15.0
121.10184	25.7
125.09652	12.1
129.06981	27.6
131.08585	43.3
133.10135	26.9
135.08073	18.0
135.11667	17.1
138.78540	9.0
143.08542	26.5
145.10115	36.2
147.11618	18.3
155.08501	16.5
157.10138	23.5
159.11699	17.2
161.09634	10.4
163.03922	13.6
163.14926	9.8
169.10141	23.1
171.11693	27.2
185.13208	22.3
189.16507	12.1
203.17955	18.0
265.14398	11.3
269.22751	10.0
287.23676	32.6
297.22147	10.3
379.28601	46.2
523.33112	13.0
541.35425	79.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58125	4.2
53.03941	13.1
55.01864	13.1
55.05512	46.8
57.03426	7.9
57.07053	5.4
61.02925	6.6
64.11433	4.3
67.05229	3.8
67.05512	42.1
68.43233	4.7
69.03433	34.0
69.07072	32.7
70.45808	17.5
71.04974	5.1
73.02911	5.2
79.05498	27.5
81.03392	20.7
81.07060	75.5
83.01344	6.6
83.04978	10.3
83.08610	17.6
85.02909	46.2
85.06544	25.1
87.00826	8.2
91.05464	24.7
93.07053	60.4
95.04947	18.5
95.08609	100.0
97.02895	25.1
97.06523	19.4
97.10168	45.6
98.21380	6.1
99.04448	12.0
99.08081	10.1
101.05995	12.6
105.01859	6.2
105.07041	44.8
107.04929	9.0
107.08596	60.0
109.02859	18.5
109.06504	21.9
109.10162	56.0
111.04456	8.6
111.08056	8.8
113.05979	7.8
113.09663	11.7
117.06996	9.3
119.08566	51.9
121.06515	14.6
121.10107	36.4
123.04448	5.6
123.08081	32.4
123.11698	21.3
125.05985	43.8
125.09622	19.2
127.03917	37.8
129.06975	8.2
131.08551	24.1
133.06514	5.7
133.10141	44.2
135.08015	21.5
135.11679	22.1
137.05983	24.7
137.09607	29.1
139.07504	13.2
139.11179	13.2
141.09090	11.6
143.08566	11.3
143.10664	12.9
145.04968	12.0
145.10146	25.4
147.08054	13.4
147.11687	18.4
149.05923	4.4
149.09596	18.7
149.13219	9.3
151.07518	19.9
151.11121	10.6
153.05492	5.5
153.09106	15.1
155.10596	6.1
157.10103	13.1
159.02834	5.5
159.11659	22.6
161.05959	7.0
161.09621	14.8
161.13210	13.9
163.07565	10.9
163.11157	14.0
165.09119	40.6
165.12769	5.3
169.08623	5.3
169.10101	8.9
171.11726	11.3
173.09653	8.6
173.13242	14.0
175.03960	4.9
175.07559	7.5
175.11162	14.6
175.14873	18.6
177.09076	17.3
177.12741	6.6
179.07037	20.8
179.10687	12.1
183.11697	6.9
185.13139	8.9
185.45921	5.3
187.11157	6.0
187.14877	10.1
189.12665	10.1
191.10611	11.6
191.14252	9.0
193.08595	5.8
193.12296	7.0
199.11110	5.5
199.14842	5.8
201.12766	7.4
201.16237	5.9
203.10725	6.1
203.14337	7.8
205.12215	6.3
207.13756	6.4
215.14328	9.5
217.12196	12.1
217.15816	16.1
219.13725	9.8
233.15414	8.1
245.15349	13.4
257.14996	6.5
257.18985	11.2
259.16901	8.6
261.14789	6.2
263.16492	6.5
273.18665	6.9
275.16434	10.9
275.20065	60.9
277.18036	9.2
283.16739	5.7
287.16486	14.7
293.20990	20.9
295.07025	5.1
303.15848	13.4
305.17477	32.9
305.20850	8.2
319.19022	10.1
323.18680	7.6
333.20392	5.9
397.27307	8.8
415.28540	15.7
425.26608	29.8
433.29050	9.0
443.19955	6.1
443.27902	19.8
459.30850	18.6
461.28964	18.1
487.31042	8.1
505.31442	18.2
523.32257	16.1
541.26575	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	541.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	9.7
55.05514	4.8
57.03416	7.3
57.07063	3.8
67.05486	9.3
69.03432	28.0
69.07052	6.8
70.09334	14.5
71.04980	5.7
71.79337	3.1
73.02914	7.9
79.05470	6.7
81.03432	34.5
81.07056	28.8
83.85645	3.2
85.02916	45.8
85.06549	38.7
87.00829	23.3
91.05476	7.9
93.07043	12.6
95.04921	5.9
95.08614	36.1
97.02886	22.7
97.06555	3.5
99.04460	11.5
99.30510	3.0
105.01863	17.2
105.07037	10.7
107.08582	14.6
109.02892	26.5
109.06532	7.7
109.10149	8.6
112.24001	3.5
113.09672	16.8
115.05437	3.7
117.01841	5.6
117.07027	3.2
119.08596	14.6
121.06403	3.1
121.10139	12.2
123.08041	10.0
127.03923	33.0
129.01839	3.8
131.08528	6.8
133.10121	13.3
135.08032	12.2
137.09602	9.6
141.09157	5.0
143.08458	3.9
145.04976	7.8
145.10104	14.8
147.11685	7.0
149.09628	11.9
151.07526	5.9
155.08430	3.5
157.10091	5.8
159.02867	10.7
159.11664	11.3
161.09596	11.4
163.11122	4.0
165.04008	3.8
165.09070	6.4
165.12822	4.3
171.11621	4.7
173.13263	10.2
175.11200	4.2
175.14857	6.5
191.14333	5.0
199.14755	8.2
201.12791	6.8
213.03882	3.6
215.17934	4.3
217.15820	3.7
219.13811	14.7
231.05067	5.8
237.14790	16.9
247.82220	3.4
257.18951	7.4
275.20093	100.0
293.21057	25.7
293.90240	3.4
497.27438	3.4
535.34576	3.4
541.26630	65.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.8
55.01870	10.1
55.05511	14.0
56.21155	1.5
57.03426	5.7
57.07085	2.0
59.04997	1.6
61.02921	4.4
65.03935	2.0
67.05521	10.5
68.99800	3.2
69.03078	2.3
69.03436	42.5
69.07081	8.3
69.41305	12.3
71.04981	7.0
73.02914	6.6
79.05498	10.8
81.03423	29.0
81.07064	23.1
83.04981	5.9
83.08623	4.9
85.02910	71.5
85.06535	6.1
87.00835	23.6
91.05479	8.9
93.07055	15.5
95.04979	26.2
95.08612	23.0
97.02901	20.7
97.06554	2.2
97.10172	3.7
98.20789	3.7
99.04455	15.0
99.08071	2.4
101.06002	10.8
105.01881	20.5
105.07041	14.6
107.04930	3.3
107.08603	21.4
109.02895	27.2
109.06551	10.0
109.10162	10.3
111.04401	2.3
111.08079	5.1
113.09624	3.0
117.01831	3.3
117.07050	2.9
119.08574	11.5
121.06524	8.3
121.09315	3.1
121.10155	43.6
123.08099	11.3
123.11722	4.2
125.05936	2.3
125.09600	5.8
127.03927	47.8
129.01836	4.2
129.07031	2.4
131.08578	7.7
133.06473	3.3
133.10118	6.5
135.08075	18.4
135.11652	4.0
137.05965	2.2
137.09641	11.8
139.07530	3.7
139.11189	3.0
141.05467	1.6
143.08536	4.2
145.04979	15.3
145.10165	8.3
147.08006	2.9
147.11674	4.3
149.09634	25.7
149.13283	2.3
151.07507	4.5
153.09152	2.6
155.10530	2.0
156.09335	2.0
157.10126	4.7
159.02893	11.0
159.08046	4.8
159.11693	7.1
161.09599	4.2
163.07515	2.7
163.11203	16.6
165.09126	6.9
165.12689	2.3
167.10675	7.1
171.08043	1.8
171.11592	2.9
172.08794	2.0
173.09639	8.8
173.13229	8.7
175.07527	1.6
175.11238	2.0
175.14786	4.8
177.09116	4.2
177.12761	26.2
181.01262	1.8
181.12267	14.9
185.09656	1.9
187.11131	4.4
187.14777	2.7
189.12761	13.2
191.14293	5.0
195.13818	31.3
197.13266	2.2
199.14877	2.2
200.11958	3.6
201.12747	3.4
213.03960	3.6
213.12802	2.1
215.14333	46.1
217.15907	3.5
219.13747	3.4
231.04970	10.1
233.15379	79.4
249.06076	2.1
251.16423	2.1
257.19070	11.8
270.67395	1.6
273.18509	1.8
275.20078	100.0
293.21136	47.8
303.15640	1.9
319.15411	4.1
359.18423	4.3
385.16528	2.7
387.18146	2.6
403.17401	3.3
405.18979	2.8
421.18604	2.1
425.26611	1.9
431.16959	2.3
441.21118	4.1
449.18143	10.5
489.41913	1.6
509.25433	1.6
523.25793	2.1
541.26025	8.0
541.33820	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	541.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.0
53.50270	2.0
55.01870	2.0
55.05518	9.0
57.03436	2.0
57.26662	1.6
58.22721	1.6
61.25397	1.5
67.05506	11.3
69.03436	8.8
69.07064	5.3
70.02583	8.9
71.04971	2.3
73.02948	1.9
79.05496	16.7
81.03410	6.9
81.07068	16.0
83.04962	7.1
83.08602	2.4
85.02910	11.3
85.06545	8.6
87.00835	3.4
91.05485	13.4
93.07052	27.3
95.04964	6.1
95.08613	15.3
95.39362	1.9
97.02886	2.9
97.06547	2.1
97.10168	3.1
99.08082	2.7
105.01891	2.4
105.07050	16.9
107.04933	4.2
107.08598	12.2
109.02869	4.1
109.06504	6.8
109.10164	15.9
111.08080	3.4
117.07040	5.1
119.04913	1.7
119.08598	15.9
121.06522	8.0
121.10150	20.8
122.07345	2.5
123.08064	4.3
123.11699	2.4
125.09623	3.7
127.03909	4.6
130.07805	1.6
131.08601	12.7
133.10156	13.3
135.08044	5.8
135.11723	4.5
137.05981	3.2
137.09627	25.9
139.11137	1.8
143.08604	3.2
145.06509	2.6
145.10141	11.9
147.08109	1.9
147.11682	7.4
149.09657	3.8
149.13194	2.1
151.07547	2.6
157.10072	3.7
158.10924	2.4
159.08026	5.0
159.11707	5.4
161.09630	2.5
161.13225	2.3
163.11154	5.5
165.09148	20.9
171.11652	2.0
173.09563	3.7
173.13269	14.4
177.12698	2.8
183.11650	2.1
187.11232	2.3
197.13327	2.4
199.14761	2.1
201.12772	5.7
210.38339	2.1
215.14360	2.0
215.18005	2.5
217.15918	3.4
239.15431	4.6
244.06726	1.7
256.31073	1.7
257.19006	26.0
275.20087	100.0
276.20438	2.8
293.21060	5.3
373.10901	2.1
403.71381	1.8
541.21057	3.0
541.28040	5.6
544.24005	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37033	1.7
53.03932	5.2
55.01861	4.2
55.05497	8.5
56.89978	1.7
57.03427	6.2
57.07066	4.0
61.02927	2.5
67.05500	11.3
68.99780	2.5
69.03430	23.6
69.07062	6.7
71.04984	4.5
71.56429	2.8
73.02906	4.2
79.05485	7.9
81.03423	19.3
81.07056	26.1
83.04955	3.3
83.08640	2.1
85.02909	34.6
85.06550	30.6
87.00836	16.7
91.05492	6.3
93.07040	13.5
95.04963	6.0
95.08612	27.7
97.02903	12.8
97.06517	3.1
97.10151	2.1
99.04449	8.9
99.08094	3.5
101.06007	2.0
105.01878	9.9
105.07018	11.4
107.08602	10.5
109.02880	22.5
109.06484	5.6
109.10147	12.2
111.08124	3.3
113.09669	13.5
117.07011	2.2
119.08569	13.2
121.10164	12.0
123.08035	9.0
123.11695	4.5
125.09595	5.2
127.03921	25.6
129.01857	2.6
129.07050	2.3
131.08582	6.9
133.10162	11.7
135.08057	8.8
135.11691	5.7
137.09607	9.2
139.07558	2.5
141.09129	2.6
142.07719	2.1
143.08577	4.8
145.04948	9.0
145.10149	9.6
147.02872	2.2
147.04422	2.5
147.08020	3.0
147.11671	7.7
149.09653	10.5
151.07539	5.2
157.10138	7.9
159.02937	10.1
159.08012	4.0
159.11653	11.7
161.09610	5.2
163.11185	6.0
165.09120	7.3
169.10164	2.2
171.11684	3.5
173.09595	2.5
173.13274	11.3
175.11189	5.4
175.14833	8.9
177.09212	2.4
179.10715	2.5
189.12695	5.4
191.14326	3.6
193.12178	4.5
195.09198	4.9
196.10028	3.1
199.14786	8.8
201.12689	5.7
201.16412	2.6
203.14337	2.2
207.13737	3.1
209.10764	2.8
210.11514	31.6
211.12231	3.4
215.17899	3.4
217.15929	3.3
219.13800	13.6
224.13078	7.6
225.13881	27.7
225.27194	2.0
227.15305	2.0
231.05017	4.4
237.14885	10.9
239.15466	54.8
239.17766	2.2
240.16216	22.2
257.18973	7.8
275.20074	65.4
276.20255	2.2
287.20071	2.0
293.21100	23.9
317.20810	2.7
336.84924	2.4
431.31494	2.8
455.22534	2.2
472.51947	2.0
477.32086	5.5
497.22623	3.6
497.28284	2.4
505.31320	2.7
523.24988	2.6
541.28143	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.6
53.99266	3.0
55.01852	3.5
55.05515	14.3
57.03430	4.1
57.07050	3.4
65.03925	3.6
67.05511	19.9
69.03422	13.2
69.07063	12.5
70.62232	2.5
71.04979	5.5
73.60770	2.6
79.05501	17.2
81.03419	14.9
81.07067	22.7
81.89410	2.7
83.04980	8.0
83.08615	6.4
84.08147	3.9
85.02905	20.2
85.06541	13.9
87.00845	4.3
91.05487	18.9
93.07048	33.7
95.04965	8.9
95.08604	27.7
97.02859	8.7
97.06523	4.9
97.10166	6.0
99.04431	5.3
99.08074	7.7
105.07044	22.7
107.04958	6.8
107.08608	24.1
109.02876	10.7
109.06513	11.2
109.10145	22.2
111.08069	5.6
113.09673	4.3
117.07016	5.7
119.04887	5.9
119.08570	28.1
120.08090	3.1
121.06461	6.7
121.10136	38.1
123.04431	10.4
123.08012	7.2
123.11703	5.8
125.09606	8.7
127.03911	15.8
131.08594	14.4
133.10159	16.0
135.08052	10.5
135.11670	8.7
137.05978	11.3
137.09618	21.8
139.07568	2.7
139.11151	2.9
141.09085	3.7
142.07700	2.7
145.04959	4.5
145.10155	16.9
147.08115	3.5
147.11693	13.7
149.02342	5.7
149.09616	11.7
149.13249	5.3
151.11130	5.3
153.05455	4.7
153.09026	3.6
157.10117	6.5
159.08044	6.8
159.11678	7.6
161.09644	5.0
161.13242	5.6
163.11241	7.2
165.05431	4.2
165.09151	5.7
165.99553	3.0
167.10771	3.2
169.10092	3.9
171.11668	5.2
172.11919	2.6
173.09567	3.9
173.13228	14.7
175.14813	8.3
177.12695	4.6
183.06512	10.3
189.12737	4.5
191.14182	5.8
197.13234	5.2
199.14693	3.7
201.12837	6.4
215.14229	4.3
219.13745	5.2
224.13161	3.0
239.17905	4.6
257.18927	26.0
273.18649	3.4
275.20059	100.0
293.20978	13.8
305.17468	6.8
379.20773	3.5
402.52936	3.4
427.18887	2.8
505.28625	3.6
541.24323	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	539.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	7.8
55.01865	13.0
55.05512	42.7
57.03430	20.1
57.07078	58.8
67.05510	57.8
69.07066	29.8
69.19570	7.5
69.35725	72.8
71.08635	52.6
77.79706	9.5
79.05498	48.7
81.03400	19.0
81.07055	47.9
83.04977	30.9
83.08609	30.0
85.10176	29.7
86.19033	8.6
89.76868	8.6
91.05470	28.4
93.07072	39.9
95.08609	53.6
96.56395	7.7
97.06551	9.2
97.10176	8.2
98.57626	8.0
105.07020	21.6
107.08604	26.0
108.09533	7.2
109.10174	29.1
111.04436	29.4
117.06966	10.2
119.08578	16.3
121.10189	12.2
123.08051	9.7
135.11673	18.6
145.10092	24.1
163.11174	36.4
181.12225	12.8
182.44644	8.3
191.10696	15.5
209.11613	15.7
227.12781	27.0
239.23672	12.0
283.15457	80.5
306.22095	8.5
313.27374	100.0
424.29224	10.5
521.38269	75.4
539.39063	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	539.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.1
55.01875	5.5
55.05509	13.7
57.03433	8.6
57.07073	8.5
57.10949	2.1
61.02929	28.1
61.73449	1.7
64.09135	1.8
65.03926	2.9
66.49174	1.7
67.05178	1.8
67.05508	27.0
69.03446	9.9
69.07066	10.9
69.72594	10.3
71.05003	4.0
71.08614	1.8
73.02926	13.5
79.05494	22.8
81.03419	7.9
81.07055	29.6
83.05006	4.6
83.08611	3.9
85.02907	25.5
87.04470	2.2
91.03945	13.7
91.05479	42.6
93.07043	21.9
95.04970	4.6
95.06734	1.8
95.08603	17.6
97.02914	14.5
97.06555	2.4
99.04464	3.1
101.02398	2.9
105.07037	32.6
107.04991	2.7
107.08602	8.5
109.02895	3.6
109.06560	3.0
109.10172	6.0
115.05444	4.0
117.07022	33.5
119.08588	24.6
121.06463	2.4
121.10180	11.9
123.11686	3.1
127.03904	7.4
128.06187	2.9
129.05466	5.8
129.07002	25.4
131.08574	48.0
133.10136	14.3
135.08047	4.7
135.11697	6.8
137.09618	2.8
137.13272	2.2
141.07002	17.3
143.08594	14.2
145.04967	2.8
145.06554	3.0
145.10126	30.1
147.08064	3.4
147.11697	8.2
149.09631	8.0
149.13269	3.2
153.07040	2.3
154.07829	2.0
155.08583	12.5
157.10155	17.3
159.08060	7.0
159.11731	15.4
161.09634	5.3
161.13315	6.6
163.11206	2.3
167.08606	2.7
169.10123	22.0
171.11592	8.9
173.09642	6.2
173.13252	9.6
175.11159	2.9
175.14828	7.4
181.10144	3.4
183.11694	14.0
185.13263	7.3
187.11247	10.7
187.14854	4.7
189.16411	3.2
197.13217	11.4
199.14844	3.9
201.12781	9.9
201.16409	16.6
209.13205	2.4
211.14819	7.1
213.12785	2.5
213.16409	2.7
215.14311	5.4
225.16383	3.9
229.15871	2.8
239.17802	2.2
241.19548	7.2
243.21072	21.9
257.19040	3.3
257.22595	10.2
266.60687	2.0
267.21136	26.5
285.22137	58.5
286.22119	2.2
297.22220	2.4
303.23215	9.9
339.94940	2.2
359.26035	4.0
375.25433	4.1
377.26883	100.0
401.27017	4.2
402.49426	2.1
405.26358	2.2
443.27701	2.3
447.28186	3.1
485.28754	3.6
503.29758	3.0
521.31897	4.2
539.32819	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46378	0.6
51.87563	0.7
55.05511	1.9
57.03434	0.8
57.07067	2.4
57.12110	0.7
59.05001	1.6
63.17057	0.6
67.05504	3.1
69.03430	1.6
69.07066	1.7
70.40327	2.4
71.08619	1.9
79.05500	1.9
81.07063	3.8
83.08632	1.1
85.10165	1.0
91.05481	1.4
93.07045	1.6
95.04995	0.8
95.08608	2.7
97.02900	1.0
99.79088	0.6
105.07088	0.9
107.08611	0.8
108.16259	0.6
109.02899	1.0
109.10164	2.0
111.04440	2.4
121.10168	0.9
135.82439	0.6
149.02374	0.8
185.04170	0.7
188.92502	2.1
209.11746	4.7
226.94057	2.0
239.23845	0.7
244.95166	1.4
266.56259	0.6
283.15302	1.5
300.98132	0.8
311.25735	0.6
313.27426	1.6
319.82315	0.6
327.80713	0.7
466.80246	0.7
521.38538	1.3
539.31934	100.0
540.32245	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	539.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	2.6
51.43752	1.7
53.03943	8.9
55.01864	8.0
55.05517	19.1
57.03431	6.3
62.90020	1.7
63.02349	2.1
65.03925	6.8
65.09563	1.7
67.05511	53.2
69.03413	5.5
69.07072	12.1
69.54073	13.8
70.68781	1.8
71.04978	2.8
77.03942	2.4
78.72173	1.8
79.05064	2.8
79.05499	55.3
79.20439	2.0
81.03424	29.7
81.07066	38.7
83.04976	17.3
83.08641	9.6
85.02912	3.8
85.06529	4.7
87.09985	1.7
89.51705	1.8
91.05488	100.0
93.07051	37.7
95.01324	2.8
95.04982	62.1
95.08611	21.5
97.02893	5.2
97.06544	6.1
97.10187	3.3
103.05458	4.8
105.07037	58.9
107.04961	19.4
107.08616	16.0
109.06520	6.5
109.10152	5.3
113.06046	2.6
115.05476	14.0
116.06276	2.6
117.07029	34.5
119.08605	22.6
121.06498	8.5
121.10134	5.6
123.08069	4.9
124.79456	1.7
128.06239	20.8
129.05537	3.3
129.07022	43.5
130.07751	4.3
131.04915	12.9
131.08586	26.5
133.06500	10.5
133.10130	21.3
135.04398	3.3
135.08063	6.1
135.11659	3.0
137.05971	3.2
137.54428	2.1
141.06998	19.0
142.07776	7.1
143.08585	33.5
144.05695	2.6
145.06500	25.2
145.10158	13.1
146.07283	9.4
147.04387	3.8
147.08060	8.5
147.11708	11.7
149.05984	2.3
149.09593	5.7
151.11150	2.5
152.06252	3.4
153.06995	11.5
154.07753	5.4
155.07341	2.5
155.08583	21.4
156.09317	2.5
157.06520	17.2
157.10152	19.4
159.08095	20.0
159.11694	3.0
161.05978	6.3
161.09641	9.5
161.13274	5.4
164.12996	1.9
165.06979	10.3
166.07837	9.4
167.08591	16.6
169.06439	2.3
169.10149	11.5
171.08049	24.1
171.11700	20.7
173.05951	3.1
173.09642	6.4
175.07463	2.4
175.11330	2.4
179.08534	5.8
179.10629	4.3
180.09331	3.4
181.06451	3.1
181.10164	16.0
183.08060	8.9
183.11702	8.5
184.08908	2.5
185.09657	12.7
185.13234	6.6
187.07530	2.3
189.12802	6.0
191.08496	2.0
193.10104	4.1
195.08070	6.4
195.11725	11.1
197.09630	8.7
197.13313	4.0
198.10326	2.9
199.11182	23.0
199.14806	4.5
201.12831	2.9
205.10066	3.8
207.11763	4.2
207.13724	3.9
209.09622	2.7
209.13237	3.7
211.11296	3.6
213.12737	19.0
213.16278	4.8
223.11159	21.5
223.14827	6.8
225.12802	2.3
227.14328	4.1
231.13770	3.9
233.09401	2.0
241.12260	53.4
241.15910	16.8
242.51570	1.9
249.63536	2.0
251.14417	4.4
253.14331	7.3
259.13351	7.6
259.17044	2.7
269.15427	22.8
271.16949	3.8
281.17535	11.0
287.16422	7.6
306.98953	1.9
315.16083	3.9
343.19000	5.3
361.20233	2.4
401.24661	2.6
418.32095	2.2
481.18369	2.6
521.29004	6.2
539.29614	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	539.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.0
53.03944	5.7
55.01867	4.2
55.05507	5.5
57.03423	3.8
61.02926	2.6
67.05508	4.4
68.99786	2.4
69.03431	22.6
69.07093	2.0
69.28005	1.0
69.58630	8.1
71.04988	3.3
73.02908	3.5
79.05492	3.7
79.83203	0.9
81.03421	24.4
81.07072	6.1
83.01318	1.2
83.04990	3.4
83.08626	1.2
85.02908	32.1
85.06533	3.0
87.00835	16.4
91.03931	1.8
91.05484	4.9
93.07034	13.0
95.04972	4.4
95.08612	10.4
97.02899	16.0
97.06529	2.6
99.04462	8.5
103.04022	1.3
105.01871	7.4
105.07037	8.7
107.04964	1.1
107.08598	4.9
109.02892	19.8
109.06541	7.3
109.10160	3.8
111.04440	1.8
111.08083	48.4
115.03960	1.8
117.01836	2.5
117.07047	1.3
119.08595	10.7
121.06506	3.1
121.10150	5.0
122.07317	1.5
123.08089	11.1
123.11652	1.3
125.06028	1.4
127.03921	27.7
129.01846	2.9
129.06967	1.3
131.08583	4.1
133.06499	1.8
133.10133	7.3
135.08035	5.4
135.11716	3.2
137.05977	1.4
137.09625	1.3
143.08635	2.0
145.04993	8.7
145.10143	6.6
147.08041	3.8
147.11699	4.6
149.09650	2.5
151.07542	40.8
151.11194	1.6
155.08597	1.1
156.09344	2.2
157.10164	4.2
159.02879	8.1
159.08058	5.2
159.11729	1.7
160.08859	1.5
161.09630	4.5
163.11182	13.4
165.09117	3.5
165.82603	1.0
171.11711	4.6
173.09662	2.0
173.13278	2.6
174.10435	4.7
175.11238	3.4
177.09157	2.9
179.10689	8.1
189.12753	100.0
190.13049	1.2
191.14348	4.2
192.11528	2.0
197.11768	12.8
197.13383	2.1
203.14259	1.2
205.12303	2.4
207.13803	37.0
211.14752	1.1
213.04022	1.3
213.16508	2.2
215.14355	1.8
217.12262	3.2
223.13258	1.1
231.05098	5.3
235.13287	3.8
255.17482	3.5
273.18481	26.4
291.19577	11.8
436.57019	1.2
441.26904	1.3
455.19104	18.2
539.24750	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	538.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.0
56.27266	1.9
57.07081	1.9
67.05510	2.4
70.72638	4.1
77.95712	2.0
80.70068	1.7
81.07045	1.9
83.08620	2.0
91.05481	6.0
119.04946	16.7
147.04413	100.0
162.54861	1.8
188.92456	2.4
226.93890	2.3
244.95082	1.9
271.21112	1.8
329.26715	2.6
358.63431	1.7
475.30588	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	539.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.95469	0.6
69.86845	3.8
82.99843	1.7
83.39892	0.6
89.60773	0.7
97.02910	1.2
98.21001	1.9
101.00889	11.4
109.02887	1.1
113.00887	1.5
119.01929	20.7
120.01957	0.8
121.02912	4.1
127.02434	2.8
131.01917	8.8
133.03447	1.4
137.02942	2.0
138.01802	1.2
139.02493	1.1
143.01918	16.8
144.01883	0.8
145.03485	8.2
149.03011	1.2
153.03976	1.3
155.01915	11.4
157.03471	6.0
161.02974	17.6
162.03162	1.0
163.04579	1.5
167.01913	6.9
169.03474	4.7
171.05067	4.0
173.02986	16.1
174.02922	1.0
174.53064	0.9
175.02879	0.7
175.04463	1.6
179.01913	4.2
181.03372	1.0
185.02980	36.7
186.03233	0.9
187.04488	5.0
193.03554	1.7
195.05066	3.4
197.02986	20.8
198.03149	0.8
199.04474	1.3
203.01959	3.5
203.04025	8.0
204.04085	1.1
204.54022	0.8
205.04010	1.0
207.05263	0.8
209.02975	2.5
211.04572	2.1
213.06053	0.8
215.04044	8.4
221.03076	8.1
227.03999	7.8
239.04062	9.8
245.05099	100.0
246.05287	1.4
257.05066	21.8
263.03674	1.1
263.06183	11.7
269.05045	1.6
275.03061	1.8
275.06143	40.2
276.06454	0.8
281.05164	1.4
287.06137	5.2
293.07321	3.2
298.07712	1.4
299.06079	1.5
301.07687	0.8
305.07187	11.5
317.03488	0.9
317.07202	16.5
335.08215	5.7
347.08191	7.3
359.04440	1.5
359.08310	5.6
365.09250	6.3
377.05612	1.9
377.09918	3.6
419.09119	0.8
539.14996	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	538.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03266	4.7
55.01855	9.6
55.05505	13.2
55.99160	4.0
57.03424	6.5
57.07066	14.6
61.02913	9.3
67.05488	8.5
69.03429	40.4
69.07052	19.2
71.08632	21.9
73.02912	6.4
81.03432	23.8
81.07052	18.5
83.08608	14.8
85.02913	73.5
85.10167	8.9
87.00826	30.6
91.05427	4.7
95.08594	12.7
97.02894	29.0
97.06537	8.3
97.10158	8.2
99.04444	11.6
105.01868	32.3
107.08542	6.1
109.02882	36.7
109.10154	9.2
121.10084	6.3
123.11701	6.8
125.09631	9.4
127.03929	59.9
129.09102	8.2
135.11702	14.0
143.10689	7.3
145.04980	13.8
149.13229	9.2
153.12701	5.3
157.12291	7.7
159.02895	9.9
163.14848	7.0
171.13809	7.6
185.15367	6.9
187.05605	4.4
189.03900	5.6
199.16934	8.4
219.20999	16.4
231.04984	16.2
237.22191	32.2
255.23203	100.0
256.35022	4.4
278.98544	4.3
419.97968	4.8
497.18115	4.7
539.09540	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	538.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32957	6.2
55.05506	8.0
55.45728	5.7
57.07069	15.3
67.05491	18.4
69.07057	14.3
69.35500	5.9
71.08634	11.7
71.57024	6.3
71.92783	5.4
79.05478	9.3
81.03394	8.6
81.07061	14.7
83.08579	7.3
83.17022	6.3
91.05454	12.9
93.07037	9.6
95.08595	15.5
96.47593	5.8
105.02600	5.6
105.06962	6.9
107.08604	6.7
109.02900	8.4
109.10175	9.1
119.04926	10.0
119.08576	14.8
145.10162	5.9
147.04422	100.0
159.11731	5.9
164.20369	6.8
179.14232	6.0
188.92497	30.2
209.11723	10.3
214.94107	7.0
226.94083	16.2
244.95103	20.2
259.57425	6.6
270.40060	6.5
277.51636	6.1
287.20038	16.3
300.97711	13.6
313.27249	11.9
475.30524	13.6
538.36975	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.6
53.03952	8.5
55.05518	21.9
57.03443	15.7
57.06819	3.1
57.07078	40.5
58.11747	1.6
65.03938	4.1
67.05505	59.4
69.03460	2.2
69.07073	19.1
71.05007	1.8
71.08634	30.5
73.06556	2.6
79.05492	73.4
81.03422	7.5
81.07059	52.9
81.07520	3.8
81.20396	1.8
83.04984	13.5
83.08617	17.8
85.10180	12.9
88.51082	1.8
89.06010	1.9
91.05473	52.3
91.06001	3.4
93.07050	68.7
95.04968	20.8
95.08607	44.8
97.06549	5.4
97.10172	8.8
99.08084	2.0
105.04502	2.3
105.07036	41.8
107.04968	6.6
107.08601	17.5
109.06510	6.5
109.10163	12.0
113.09762	1.7
116.98766	1.6
117.07019	8.7
119.08581	23.7
121.06560	3.2
121.10161	4.7
123.08067	6.7
123.11678	4.3
128.06226	3.7
129.07024	15.1
131.08569	3.3
133.10143	10.1
135.11646	3.1
137.13264	2.1
138.56711	1.5
143.08577	10.0
145.10092	10.0
147.11694	39.6
161.09641	4.8
161.13220	10.6
171.11694	34.0
189.12717	15.0
207.13818	38.6
224.35109	1.8
234.97990	1.8
239.23724	5.5
257.24780	1.8
258.85852	1.8
281.17484	62.9
282.27872	2.1
313.27350	87.1
380.77460	2.2
459.54736	1.9
519.40454	100.0
520.40887	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00247	1.2
53.03946	4.9
55.05520	12.0
57.03436	5.8
57.06817	2.3
57.07079	26.8
65.03928	3.0
67.05173	2.3
67.05507	30.0
69.07072	9.4
69.34033	12.9
71.04961	1.7
71.08266	2.2
71.08634	19.1
72.09656	1.5
74.09669	1.4
79.05496	34.4
81.03425	4.0
81.07056	27.4
83.04994	7.6
83.08633	8.2
85.06527	2.2
85.10190	8.8
91.05480	26.7
93.07048	29.8
95.04979	9.9
95.08615	19.6
97.10179	2.0
105.07038	19.2
107.04984	3.3
107.08596	6.4
109.06516	4.3
109.10175	5.9
116.81892	2.0
117.07024	3.4
119.08587	10.7
121.10178	1.7
123.08075	3.5
123.11711	3.1
128.06291	2.1
128.79765	1.5
129.07004	7.3
133.10126	5.3
143.08557	4.9
145.10165	3.3
147.11685	17.5
154.56339	1.7
161.09685	2.6
161.13283	5.6
171.11710	15.5
173.30064	1.5
189.12709	5.3
197.76697	1.7
207.13841	18.0
239.23668	2.9
262.72842	1.7
281.17499	32.0
281.29495	33.8
282.27917	100.0
299.30591	24.4
313.27368	41.6
353.18903	1.8
439.36942	1.8
456.59692	1.8
519.33130	3.0
519.40497	52.4
528.12299	1.7
537.53522	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	537.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.6
55.01870	1.5
55.05511	17.3
57.03444	9.0
57.07078	40.6
65.03929	3.0
67.05508	41.1
68.60571	1.1
69.07074	13.6
69.45957	4.2
69.46387	5.4
71.04969	2.2
71.08636	26.7
79.05498	48.5
81.03424	4.5
81.06578	2.1
81.07063	39.3
83.04990	9.5
83.08624	12.5
85.06528	3.3
85.10187	14.6
91.05483	40.3
93.06468	2.3
93.07047	40.7
95.04970	13.6
95.08610	35.6
97.06544	3.3
97.10159	8.2
97.49403	1.4
104.82540	1.4
105.07033	23.8
107.04975	4.0
107.08605	10.7
109.06522	3.4
109.10146	11.5
111.08105	1.3
117.07020	4.7
119.08588	12.7
121.06490	1.8
121.10159	1.9
123.08054	2.8
123.11710	2.2
129.07036	9.9
133.10121	6.4
135.11705	1.6
143.08617	6.1
145.10112	5.9
147.08060	2.1
147.11684	26.6
152.07484	1.4
161.09586	2.9
161.13264	8.8
171.11703	20.1
189.12767	7.0
207.13826	23.3
225.14935	3.1
239.23758	5.0
257.24728	1.2
267.57281	1.2
271.02689	1.4
281.14615	2.6
281.17490	27.2
281.20120	1.0
282.27924	2.2
313.27368	68.8
519.40460	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	4.6
53.03948	3.4
53.76156	1.5
55.01868	3.5
55.05521	24.7
57.07078	48.6
59.05006	2.9
59.90602	1.4
60.08173	3.0
65.03912	1.7
67.05511	33.2
68.82214	1.5
69.07074	16.0
69.92828	8.4
70.86845	1.5
71.01357	2.3
71.08279	2.3
71.08642	33.3
75.80240	1.7
77.82151	1.8
79.05489	10.9
81.03423	4.2
81.06576	2.3
81.07060	39.0
83.04990	3.3
83.08624	21.4
85.10194	17.1
86.09713	11.5
87.10049	2.3
91.05466	23.7
91.05902	1.7
93.07053	20.2
95.04970	4.1
95.08620	32.3
97.02909	3.8
97.06528	3.7
97.10183	10.7
98.47233	1.5
99.00816	15.7
99.08087	2.1
103.05457	1.5
104.10751	19.8
105.07027	17.1
105.11108	4.3
107.04948	7.9
107.08602	7.0
109.02858	8.5
109.06527	5.6
109.10159	18.2
111.08093	4.0
111.11730	1.9
115.03940	4.2
117.07034	5.0
119.08562	12.2
121.06516	7.4
121.10183	1.8
123.08038	1.9
123.11716	9.0
125.00013	5.6
127.03964	1.9
128.06218	1.8
131.08588	1.8
133.10143	32.5
135.11794	2.0
137.13252	4.7
139.07564	2.2
143.08575	6.0
147.08067	2.4
149.43303	1.5
151.11211	12.4
151.14848	1.5
153.84526	1.5
161.09628	18.5
163.11147	2.6
165.09151	1.6
167.05550	3.6
171.08066	3.7
176.22749	1.5
179.10677	12.9
184.07333	18.4
185.07774	4.1
186.92899	4.2
188.92477	8.9
189.09135	10.5
197.11763	5.0
206.93254	1.6
207.10242	5.5
212.94547	2.1
214.94113	2.4
224.94586	3.4
225.11246	21.3
225.85757	1.7
226.94069	3.8
239.23721	8.6
242.95598	4.2
243.12332	3.7
244.95108	6.3
270.57382	1.7
281.13953	4.3
286.03186	1.8
298.98203	1.9
299.06046	2.1
300.97672	3.2
311.25894	4.1
313.27325	2.0
337.49976	1.9
371.90308	1.6
463.15668	3.8
519.18597	1.8
519.36737	2.0
537.37860	100.0
538.37720	2.8
562.12793	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.6
55.01860	8.2
55.05510	7.9
57.03442	13.4
57.07055	3.1
57.60203	2.4
61.02651	3.3
61.02936	46.4
61.48122	2.6
65.03952	2.8
65.37551	2.6
67.05515	30.1
69.03432	27.6
69.07066	9.1
71.00748	4.8
71.04985	4.5
71.08638	100.0
73.02595	2.9
73.02929	27.3
79.05503	26.1
81.03429	19.6
81.07053	20.6
83.04984	8.9
83.08624	4.1
85.02917	42.2
85.06550	6.6
91.03967	22.0
91.05471	46.2
93.07042	19.4
95.04975	11.0
95.08611	10.1
97.02902	33.2
97.06541	12.8
98.66992	2.6
99.04457	6.7
99.08102	92.9
101.02391	10.3
103.03944	3.8
103.05466	4.7
105.07042	24.4
107.04950	6.8
107.08598	7.0
109.02873	11.3
109.06500	6.8
109.10167	9.4
111.08091	2.8
115.03947	2.6
115.05490	8.4
117.07030	53.3
119.08604	44.6
121.06530	12.4
121.10187	4.2
123.08058	9.0
127.03909	20.5
127.11198	4.9
128.06181	6.3
129.07013	27.5
131.08585	21.6
133.10143	6.8
134.16908	2.7
135.08078	4.5
137.09599	5.9
141.07004	10.1
142.07832	3.9
143.08565	28.7
145.05048	4.5
145.10141	11.2
147.08093	11.1
147.11693	3.1
149.09644	3.6
151.11192	73.6
153.12804	4.2
154.07736	4.0
155.08623	7.0
157.10156	16.7
159.08168	3.4
159.11714	4.9
161.09628	11.2
163.11217	4.6
167.05569	4.8
169.10153	25.2
171.11633	4.6
173.11711	4.8
175.11134	4.5
176.64763	2.9
177.12712	3.6
181.10139	6.2
183.06561	3.9
183.11700	8.2
185.13246	26.3
187.11211	31.4
190.53117	2.6
191.14351	5.2
192.33501	3.0
199.14871	4.6
201.12718	5.5
203.14333	18.6
207.94647	2.6
217.15894	30.2
235.17007	17.6
265.19531	3.8
283.20621	15.5
299.06180	6.6
300.06186	6.0
301.21716	10.3
309.14297	2.5
309.20352	3.3
375.25342	27.7
383.10742	2.7
537.30609	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	537.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
57.56612	0.7
67.05494	1.0
69.03420	1.0
69.07082	6.0
70.85913	1.0
70.86236	1.0
71.77078	0.7
79.05433	0.9
81.03435	0.8
85.02901	1.6
86.09708	28.6
91.05475	2.1
93.07047	3.6
95.04977	1.3
98.27185	1.0
103.05486	7.0
105.07042	1.2
108.43712	0.6
109.06529	1.1
119.04953	0.9
119.08586	0.8
120.08109	100.0
121.08431	0.7
121.10117	1.7
137.06007	2.0
142.21181	0.9
145.10118	1.2
147.04420	1.0
157.06656	0.9
159.08093	1.1
165.62932	0.7
171.08060	1.1
174.09109	4.6
175.09938	4.4
185.05977	2.4
186.09155	1.3
187.07600	1.2
188.10706	11.3
189.05496	1.3
202.08659	9.4
203.11790	10.6
204.10284	3.1
205.13416	2.6
213.05536	1.0
214.08658	3.3
215.11938	0.8
217.13416	1.2
231.06447	3.6
231.11295	15.3
231.13527	1.3
232.09732	6.1
248.09203	8.2
249.12361	23.5
249.14792	1.6
259.10901	2.8
260.09201	5.1
271.17047	1.2
277.11819	16.0
277.14731	1.2
327.17200	1.3
344.19824	1.0
390.15991	0.8
390.20279	4.7
396.19193	30.7
406.17719	3.9
408.19070	2.3
424.18674	61.0
493.28430	2.9
509.27438	1.3
519.26086	2.8
535.39099	0.8
537.27240	46.8
538.27856	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	9.2
55.01869	7.1
55.05513	30.2
57.03435	6.4
57.07071	11.8
57.18339	6.2
61.02932	7.4
67.05508	36.9
69.03445	29.4
69.07071	54.4
69.60049	35.5
70.06597	49.0
71.04993	10.7
79.05526	24.3
81.03424	32.3
81.07063	74.0
83.04990	8.7
83.08619	30.7
84.04491	15.8
85.02919	28.4
85.06504	13.0
86.09209	7.4
86.09704	100.0
87.00806	10.8
91.05490	19.1
93.07053	36.8
95.04958	11.8
95.08615	65.9
97.02899	17.1
97.06551	10.7
97.10178	39.8
97.47894	5.8
98.20673	5.1
99.04439	8.8
99.08073	7.1
101.07151	13.5
105.01842	7.6
105.07018	29.6
107.08614	33.2
109.02882	16.2
109.06490	12.7
109.10153	30.3
111.08081	12.0
111.11700	14.7
116.07098	55.2
117.07045	6.4
119.08588	31.3
121.06537	6.3
121.10163	36.9
121.14484	5.7
123.08132	10.7
123.11707	10.3
125.06056	5.6
125.13271	8.4
126.37641	4.9
127.03939	35.8
131.08551	7.9
133.10141	15.7
135.08075	8.6
135.11720	15.6
136.07594	21.0
137.09737	5.4
137.13226	5.9
139.11157	11.9
141.07005	5.3
143.08548	11.6
143.11795	23.4
145.04951	6.8
145.10071	9.0
147.11690	17.4
149.05959	7.2
149.13254	7.6
151.07599	7.1
159.11659	6.6
161.13245	15.6
164.07013	6.2
165.09100	8.0
165.12753	5.4
171.11401	11.7
173.13284	10.5
175.14897	9.7
177.09151	8.9
179.07022	6.3
187.11240	6.5
189.16397	6.2
193.19536	8.8
201.16365	6.0
208.55000	5.3
217.19627	27.7
231.04895	9.8
232.31319	5.1
235.20581	43.7
253.21625	75.2
271.22711	29.8
274.19565	5.4
289.15500	8.8
299.06073	6.5
300.06064	6.4
375.21301	18.4
519.28986	7.8
537.26843	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	537.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.4
55.01874	7.4
55.05296	1.1
55.05514	12.0
57.03430	1.8
57.07061	3.9
65.03931	2.4
67.01865	2.2
67.05165	1.7
67.05503	19.7
68.99796	9.6
69.03418	2.8
69.07069	19.8
70.23544	4.7
71.01343	1.5
71.05000	1.5
71.08616	1.1
76.36376	1.1
77.03916	1.3
79.05503	11.9
81.03424	5.9
81.07059	31.7
83.01329	2.6
83.04967	5.2
83.08620	12.7
85.02911	2.9
85.06531	2.4
86.09695	1.7
91.05435	7.9
93.07050	18.6
95.01309	2.2
95.04970	6.2
95.08601	19.8
97.02865	5.2
97.06534	12.9
97.10188	6.0
98.21466	1.7
99.04452	1.3
105.07034	8.7
107.04964	6.4
107.08589	13.5
109.02866	4.2
109.06510	5.5
109.10165	9.8
111.00809	24.2
111.04432	8.0
111.08110	6.9
113.02386	2.1
117.07011	3.0
119.04935	1.1
119.08591	8.4
121.02879	9.5
121.06464	3.6
121.10143	11.3
123.04404	4.4
123.08053	5.7
123.11692	7.0
125.02349	5.1
125.05973	4.9
125.09624	4.8
127.03931	13.3
128.46252	1.2
129.06998	3.0
131.08559	4.9
132.72244	1.4
133.06476	2.5
133.10168	7.6
135.04417	2.0
135.08031	4.8
135.11707	3.2
137.02383	5.7
137.05965	2.1
137.09602	3.7
139.03903	45.0
139.07539	4.9
141.01910	1.9
141.05478	2.5
143.08565	4.0
145.06438	2.4
145.10092	6.1
147.04396	1.9
147.08008	4.1
147.11691	9.3
149.02423	1.9
149.05986	2.5
149.09608	4.6
149.13307	6.5
151.03894	5.5
151.07555	2.8
153.01839	5.2
153.05484	2.6
153.09140	7.4
157.10138	2.2
159.08052	1.8
159.11717	3.4
161.06000	2.7
161.13248	3.7
163.03851	2.1
163.07529	2.0
163.11208	2.0
163.14799	4.9
165.01842	2.2
165.05502	2.7
165.09053	3.4
167.03394	1.7
167.07025	3.2
167.10638	1.6
167.14348	1.4
169.10107	2.5
173.05943	1.5
173.09598	2.3
173.13261	4.7
175.03925	1.7
175.11185	2.2
177.01753	2.5
177.05463	3.1
179.03369	3.7
179.06995	1.3
181.08586	4.0
187.07573	1.8
187.11208	2.7
189.01837	1.7
189.05492	1.9
189.12730	2.9
191.03430	3.8
191.14333	4.9
195.10179	3.3
197.13271	1.5
199.11259	1.5
201.05441	2.7
203.03447	2.2
203.14291	1.9
205.05008	2.4
205.12219	1.6
207.02919	7.4
207.13824	4.4
209.00821	4.6
209.11639	1.8
209.15318	11.3
215.03438	1.3
215.07074	1.2
215.10742	1.6
215.14345	1.8
217.01239	1.4
217.05029	2.6
219.02998	2.3
227.16414	3.4
231.02953	2.8
231.13776	2.4
233.04556	2.7
233.15363	2.1
237.03493	1.3
237.14856	2.7
241.12320	1.8
243.02853	4.1
249.03899	3.1
249.14865	12.1
251.13832	2.1
251.16441	43.2
257.12234	1.2
257.15372	1.5
261.04056	2.0
261.14783	1.7
275.12823	2.7
277.14349	9.0
279.15927	100.0
280.16168	1.7
285.87537	1.4
287.12714	3.1
289.14719	2.3
289.17816	2.1
295.18930	2.9
298.21121	1.3
301.14297	1.7
305.13617	1.8
315.12253	1.4
319.15521	6.1
321.16876	3.2
325.14386	1.9
327.16003	1.5
329.13831	1.3
333.17480	1.4
343.15530	2.9
345.16885	2.0
347.14941	4.3
353.13577	2.0
361.12955	2.7
363.14008	1.9
363.17996	15.9
371.14871	9.6
373.16345	4.5
379.56390	1.4
385.16553	1.6
389.15924	20.7
399.14310	3.4
401.15811	2.3
413.15878	2.8
417.15640	3.7
427.13553	2.7
429.15405	11.7
431.16989	4.7
435.16415	3.7
437.15973	11.5
439.17612	2.9
445.18741	1.5
453.15469	1.9
455.17346	7.4
459.16483	14.2
465.15430	18.2
471.16589	8.3
473.18030	8.3
475.19815	3.0
483.16498	21.4
491.18912	2.8
501.17529	23.4
519.18640	91.7
520.18420	2.8
537.19635	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	537.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.6
57.03430	6.6
61.02922	3.3
67.05494	6.5
69.03424	24.1
70.91766	6.1
73.02904	8.5
79.05461	3.4
81.03410	19.5
85.02905	37.1
87.00810	11.8
95.04942	2.9
97.02882	8.6
99.04487	2.8
103.03902	2.6
105.01846	18.3
108.08095	6.9
109.02895	11.7
125.06004	2.9
126.05502	4.8
127.03908	30.1
136.07561	10.6
137.05966	4.0
140.07057	5.3
145.04935	5.0
147.03000	2.6
152.07074	54.0
154.08662	3.2
164.07079	13.3
178.05042	22.5
178.08620	10.6
182.08127	62.0
189.03935	11.6
192.10172	7.8
204.19312	3.2
206.08116	10.2
220.09760	13.6
231.04979	18.9
238.66692	2.5
248.09189	100.0
270.12210	2.8
308.11261	20.2
334.09268	16.8
340.10327	7.6
352.10199	19.6
370.11221	9.3
396.19684	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	535.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30421	4.4
55.05518	26.0
55.72765	4.9
56.98441	5.1
57.03436	8.8
57.07075	13.5
63.61546	4.6
66.66161	5.7
67.05518	27.2
69.07063	32.9
69.26682	13.5
69.27091	34.5
71.08637	6.8
72.94921	4.3
79.05500	37.7
81.07066	37.3
83.04996	9.8
83.08202	4.6
83.08617	25.5
91.05463	27.3
93.07041	43.6
95.04976	11.5
95.08617	21.8
97.10173	18.9
98.20781	9.6
105.07040	19.9
107.08572	12.3
109.10197	7.2
111.11774	5.7
117.07059	6.4
119.08562	11.6
121.10085	7.2
129.07007	8.4
133.10194	7.2
135.11754	7.1
147.11708	14.6
161.13280	8.7
167.05554	9.1
171.11693	15.4
173.44164	5.0
207.13797	14.4
237.22290	14.2
281.17581	17.8
298.77728	5.2
299.06161	20.2
311.25891	37.0
338.59219	4.6
342.04144	5.5
371.76242	5.0
471.87790	5.1
517.38947	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	9.9
55.05515	69.4
57.03448	13.6
57.07075	27.1
67.05515	80.2
69.03433	28.4
69.07077	98.5
71.04993	6.2
71.08635	18.1
73.02937	3.7
79.05494	32.8
81.03436	40.5
81.07067	98.3
83.04993	10.5
83.08629	64.2
85.02914	35.0
85.06571	4.0
85.10213	10.4
91.05440	6.3
93.07056	48.3
95.04977	4.9
95.08616	100.0
97.02913	22.8
97.06532	11.7
97.10182	48.8
99.04464	11.8
99.08102	5.3
104.10727	3.4
105.07063	13.8
107.04971	4.9
107.08593	33.1
109.02893	10.4
109.10168	40.3
109.55716	3.2
111.04469	9.1
111.08068	8.2
111.11722	7.8
113.09636	7.2
117.07037	3.3
119.08597	9.9
121.10162	34.7
123.08089	4.4
123.11721	15.2
125.09603	4.8
127.03941	21.3
131.08540	8.7
133.10162	10.1
135.08217	3.9
135.11694	31.2
137.13310	4.2
139.11269	3.5
142.02704	3.4
145.04988	12.2
145.10106	5.8
147.11674	6.8
149.13257	19.9
151.07555	4.3
151.14818	4.6
161.13345	4.5
163.14867	7.5
167.05618	8.9
177.16429	4.1
179.14290	3.5
184.07396	6.2
185.13434	3.6
189.80234	3.4
191.14394	5.2
247.24352	16.3
261.18716	4.6
265.25278	84.3
266.99893	4.2
277.25241	4.1
283.03104	6.0
283.26471	5.5
293.24750	11.1
299.06296	19.5
305.24731	8.5
309.14569	4.4
323.25885	5.5
327.26724	4.2
331.26416	4.5
339.28738	5.2
344.97879	4.5
345.27841	9.0
349.27530	11.2
355.26291	12.7
361.93445	3.5
373.27460	52.4
391.28400	44.5
409.29535	69.9
415.03531	4.6
427.30450	31.6
487.70901	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	535.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	13.4
55.01895	6.1
55.05513	49.2
57.03434	18.9
57.07078	14.7
66.59579	4.5
67.05509	75.3
69.07079	48.5
71.17960	10.5
79.05501	95.9
81.03436	10.3
81.07068	82.3
83.04984	20.7
83.08626	38.5
84.81536	5.4
85.06545	9.4
88.99637	6.6
91.05479	64.1
93.07048	93.8
95.04973	23.5
95.08601	54.0
97.06540	7.7
97.10185	18.1
105.07024	48.5
107.08621	26.3
109.10164	18.9
117.07076	7.9
119.08595	30.1
121.10152	18.2
129.07053	17.1
133.10133	11.8
135.11722	13.3
143.08620	9.7
145.10138	6.0
147.11687	43.2
161.09581	6.6
161.13326	12.0
167.05667	6.3
171.11711	35.7
172.82124	5.5
189.12703	19.4
207.13806	28.2
281.17502	67.5
299.06122	5.7
311.25803	100.0
419.01096	6.3
517.38818	94.8
535.26202	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1086
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03944	2.1
55.01878	1.5
57.03444	1.1
61.02940	0.8
68.13591	0.2
68.99803	1.2
69.03078	0.3
69.03436	5.7
71.04985	0.7
73.02914	1.6
75.24635	0.2
79.05501	0.2
81.03424	7.5
85.02911	9.7
87.00835	4.7
91.03960	0.5
97.02905	3.8
99.04457	2.6
101.02376	0.2
105.01877	2.7
105.03412	0.4
107.04964	0.4
109.02885	6.4
111.00801	0.7
111.04389	0.2
115.03934	0.2
117.01863	1.2
121.02880	2.8
127.03923	7.7
129.01816	0.7
133.02849	0.5
137.02359	0.7
145.04976	2.5
145.06262	0.3
145.06447	0.3
147.02893	0.3
147.04395	0.6
153.01855	3.9
153.03064	0.1
157.06509	0.6
159.02905	4.0
165.01855	1.8
171.04379	0.2
178.68805	0.2
183.02901	0.8
185.05965	0.3
213.03897	0.2
213.05524	1.1
231.05002	0.8
231.06853	0.3
241.04964	0.9
258.05280	0.8
259.06049	0.3
269.04288	0.2
286.04605	0.2
287.05515	100.0
288.05865	1.0
329.06470	0.3
399.60168	0.2
528.45306	0.2
535.16895	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	22.5
57.03444	8.7
57.07077	10.2
60.08166	4.5
61.02947	4.5
62.89447	2.7
67.05511	97.8
69.07071	29.1
70.26734	12.1
71.08642	7.6
79.05495	29.6
81.06586	4.8
81.07064	100.0
81.20339	3.0
82.07372	3.3
83.08627	23.0
84.97108	2.8
85.02903	8.0
85.10208	3.1
86.09713	16.5
91.05494	18.2
93.07055	29.0
95.08617	94.9
97.02881	3.2
97.06561	7.7
97.10175	14.6
99.08092	3.7
104.10753	44.8
105.07041	13.8
107.08590	21.1
109.09453	4.7
109.10168	46.2
111.08138	4.2
111.11747	6.4
119.08585	14.5
121.10172	28.2
123.11736	17.5
124.99967	7.3
125.09582	3.5
127.47609	3.0
133.10143	21.5
135.11708	16.1
137.09631	3.8
137.13251	6.0
141.12770	4.5
147.11748	14.2
149.13257	11.8
151.14810	7.6
155.14247	5.1
159.37311	2.8
161.13235	13.4
163.14870	10.1
165.12778	3.3
165.16408	9.7
167.14343	3.6
175.14848	13.6
179.18016	5.0
184.07347	25.2
185.53923	3.2
188.55667	3.4
189.16396	4.4
226.99026	3.1
245.22672	67.2
263.23746	86.6
278.08771	3.2
337.23212	3.9
337.27347	64.3
337.31146	5.7
355.28540	6.6
534.35870	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	534.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	23.7
57.03437	6.4
57.07061	13.7
67.05174	6.6
67.05509	96.6
69.03416	11.3
69.07066	28.5
71.08654	5.2
79.05500	29.7
81.03400	11.4
81.07062	100.0
83.04974	5.2
83.08613	15.8
85.02905	8.3
91.05487	28.0
93.07056	39.4
95.08617	90.1
97.02897	11.8
97.10175	12.2
98.21564	6.4
98.77044	3.5
99.04491	4.7
104.10705	5.0
105.07021	17.9
107.08585	16.0
109.10164	38.8
111.11674	3.6
119.08602	19.9
121.10136	24.7
123.11683	14.7
127.03870	6.7
131.08557	7.9
133.10117	20.9
135.11682	11.3
137.09583	4.4
137.13231	7.5
142.18459	3.7
143.08565	4.8
145.10081	6.7
147.11688	9.7
149.13245	8.8
151.14871	5.8
161.13219	10.8
163.14819	7.8
165.16367	7.0
170.88687	4.3
175.14812	7.8
177.16422	5.5
179.17989	6.3
189.16399	6.8
245.22656	49.3
263.23700	67.2
317.24768	4.6
337.27444	27.1
371.25800	13.0
389.26959	11.3
402.50143	4.0
407.27957	10.1
516.33600	4.3
534.35114	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	534.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	2.8
55.01870	3.4
55.05506	5.2
57.03438	11.7
60.99385	1.8
61.02923	3.9
66.12464	1.7
66.72840	1.7
68.99785	2.4
69.03436	22.3
69.76776	9.8
71.01353	3.2
71.04996	36.4
73.02908	7.0
75.04487	1.8
76.02248	1.7
81.03424	18.5
83.04981	18.5
84.80898	1.7
85.02909	100.0
87.00828	19.3
87.04478	2.0
95.04980	2.8
97.02899	19.7
99.04459	10.4
103.03948	5.2
105.01881	26.4
107.04931	3.1
108.04435	1.9
109.02883	20.6
111.04454	22.6
114.36366	1.5
114.99266	1.8
115.03964	2.2
123.04430	3.2
127.03929	46.7
128.26840	1.7
129.01843	3.6
129.05498	20.6
135.04385	3.6
139.03961	3.4
144.82404	1.7
145.04979	14.7
147.02843	3.0
147.06522	5.9
151.03877	4.1
153.05385	2.3
159.02898	7.3
159.06529	2.0
161.20285	1.8
164.09190	4.6
165.05553	2.4
171.06541	3.3
173.04442	2.3
178.34024	1.8
181.05002	3.9
189.03934	9.7
193.05060	2.3
199.23087	1.9
206.30594	1.9
213.03947	9.4
213.07596	2.3
231.05093	10.5
231.08566	4.5
237.07463	10.6
248.07826	2.2
249.06197	3.3
255.08641	7.8
266.08829	2.7
266.12039	1.8
273.05908	2.3
284.13208	4.8
315.10678	3.3
341.08691	5.9
359.09644	4.2
377.10611	3.0
387.16037	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	534.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	1.2
55.01886	1.5
57.03442	1.6
69.03436	4.3
70.24674	4.8
74.96777	1.2
85.02905	15.0
91.05484	4.2
95.04980	1.4
97.02914	5.1
107.04974	3.5
116.59129	1.2
119.04945	13.1
119.94714	1.1
121.02838	1.6
123.04442	7.9
127.03937	4.0
131.04965	1.4
133.02872	2.5
133.06523	3.5
137.05991	81.2
145.04990	1.6
147.04424	100.0
148.04814	1.2
149.05974	1.6
159.04427	2.5
161.02419	3.1
161.06038	5.6
165.05495	10.6
171.04398	2.7
179.03529	1.4
179.07053	41.0
187.03970	2.7
189.05499	11.6
199.03905	3.9
205.05052	1.2
217.05008	15.5
259.06046	1.9
263.05548	33.5
305.06500	4.2
323.07648	55.6
341.08560	1.4
355.10266	5.1
356.04337	2.8
374.05377	3.6
551.59808	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79433	2.8
53.03942	9.8
55.01873	2.9
55.05298	3.0
55.05518	32.1
57.03431	11.1
57.07079	6.3
65.03957	2.9
67.05510	100.0
69.07072	25.6
69.72734	16.4
74.50033	2.9
79.05058	5.0
79.05495	70.6
81.03421	7.7
81.07061	85.9
83.04976	11.7
83.08610	14.4
85.06532	3.1
91.05489	67.0
93.07052	65.0
95.04981	21.1
95.08612	57.5
97.06528	4.1
97.10178	6.7
98.21410	3.8
99.04459	2.4
99.08076	5.5
100.83154	2.6
105.07037	42.7
107.04966	5.4
107.08597	20.4
109.06518	8.1
109.10168	14.4
111.08099	3.4
113.09644	3.8
115.05465	3.5
117.07040	10.8
119.08586	31.9
121.06522	2.8
121.10155	12.4
123.08107	5.2
123.11708	10.2
128.06221	3.0
129.07021	14.0
131.08569	4.2
133.10149	14.6
135.11699	8.4
137.13295	3.2
143.08566	5.9
145.10126	7.4
147.11703	30.9
149.13255	4.1
161.09621	3.3
161.13255	11.1
171.11752	22.7
189.12749	10.7
207.13814	25.9
217.19495	7.6
235.20667	2.9
281.17493	36.0
309.20609	3.3
309.24249	65.1
478.15134	2.7
515.37372	84.9
533.38892	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	534.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	2.8
55.01870	3.4
55.05506	5.2
57.03438	11.7
60.99385	1.8
61.02923	3.9
66.12464	1.7
66.72840	1.7
68.99785	2.4
69.03436	22.3
69.76776	9.8
71.01353	3.2
71.04996	36.4
73.02908	7.0
75.04487	1.8
76.02248	1.7
81.03424	18.5
83.04981	18.5
84.80898	1.7
85.02909	100.0
87.00828	19.3
87.04478	2.0
95.04980	2.8
97.02899	19.7
99.04459	10.4
103.03948	5.2
105.01881	26.4
107.04931	3.1
108.04435	1.9
109.02883	20.6
111.04454	22.6
114.36366	1.5
114.99266	1.8
115.03964	2.2
123.04430	3.2
127.03929	46.7
128.26840	1.7
129.01843	3.6
129.05498	20.6
135.04385	3.6
139.03961	3.4
144.82404	1.7
145.04979	14.7
147.02843	3.0
147.06522	5.9
151.03877	4.1
153.05385	2.3
159.02898	7.3
159.06529	2.0
161.20285	1.8
164.09190	4.6
165.05553	2.4
171.06541	3.3
173.04442	2.3
178.34024	1.8
181.05002	3.9
189.03934	9.7
193.05060	2.3
199.23087	1.9
206.30594	1.9
213.03947	9.4
213.07596	2.3
231.05093	10.5
231.08566	4.5
237.07463	10.6
248.07826	2.2
249.06197	3.3
255.08641	7.8
266.08829	2.7
266.12039	1.8
273.05908	2.3
284.13208	4.8
315.10678	3.3
341.08691	5.9
359.09644	4.2
377.10611	3.0
387.16037	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	533.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.9
55.01880	12.5
55.05268	2.7
55.05516	45.0
57.03447	12.0
57.07078	4.1
57.69204	2.1
59.04996	3.0
65.03926	2.7
66.16898	2.1
67.05173	4.3
67.05513	71.7
69.03435	4.3
69.07076	19.4
71.05020	4.8
71.08630	2.4
79.05500	56.0
81.03407	9.8
81.07066	72.4
81.91176	2.3
83.04979	15.0
83.08620	27.5
85.06541	4.1
89.63832	2.6
91.05489	50.1
93.06472	3.2
93.07054	62.0
95.04980	18.0
95.08614	38.4
97.06532	7.4
97.10181	37.6
98.20596	3.6
105.07042	49.0
107.04965	4.8
107.08602	41.9
109.06492	6.8
109.10161	24.6
111.04438	7.9
111.08092	10.5
112.81657	2.2
115.05461	2.9
117.07043	25.0
119.08590	33.9
121.06520	4.2
121.10152	26.2
123.08070	7.6
123.11720	9.3
125.09636	34.0
128.06262	3.2
129.07004	14.8
130.07816	3.9
131.08580	32.0
133.06499	4.7
133.10150	34.4
135.08057	12.6
135.11714	25.0
137.09636	3.0
137.13216	2.6
141.07002	7.2
142.07779	3.1
143.08583	13.6
143.10738	2.5
145.06532	2.3
145.10120	30.8
147.08047	3.3
147.11720	24.7
149.09651	7.4
149.13246	7.2
153.09108	4.3
153.12743	12.0
155.08569	7.3
157.10115	13.5
159.11714	20.7
161.09596	4.8
161.13298	7.5
163.11201	17.1
166.28085	2.4
167.08444	3.1
169.10147	12.3
170.10887	2.4
171.11682	12.3
173.09705	5.0
173.13318	18.2
175.11230	5.6
175.14864	4.0
177.12750	4.1
181.10167	4.7
181.12222	7.1
183.11664	7.2
185.13319	9.4
187.11220	3.7
187.13368	2.8
187.14890	9.5
189.11255	23.3
189.12741	4.3
191.10719	5.6
193.12158	3.0
195.11784	5.2
197.13248	6.7
199.14838	4.8
203.18083	2.5
207.11678	2.8
209.11700	3.8
211.14902	4.6
213.16454	6.8
215.17957	11.1
221.15446	2.3
225.16383	2.5
227.12761	36.2
227.14568	3.2
227.17932	3.6
231.17465	9.6
233.18965	13.0
243.21088	2.6
245.13823	5.6
245.18964	3.2
253.19525	6.5
271.20618	23.6
273.18533	5.2
283.15326	13.1
289.21661	13.9
305.21103	5.9
307.22980	11.0
327.23322	3.7
370.95566	2.8
395.29446	5.2
405.27875	12.1
413.30426	3.9
423.29053	17.4
441.30002	13.2
459.30945	10.7
487.34344	5.1
497.32620	20.3
515.33698	100.0
516.33948	4.9
517.36719	2.5
533.34766	59.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.3
54.93924	4.6
55.01868	21.4
55.05520	29.5
57.03436	16.5
57.07074	5.8
65.03960	6.9
67.05510	96.1
67.71085	4.7
69.03413	9.0
69.07069	64.9
69.46123	42.8
70.17184	5.9
72.93626	5.1
73.06549	7.9
79.05061	6.2
79.05502	94.3
81.03437	18.1
81.07062	100.0
83.08634	15.3
91.05489	99.6
93.07048	87.6
93.43703	4.7
95.04973	12.8
95.08614	83.0
96.22544	5.4
97.06522	17.7
97.10193	16.5
100.43008	4.7
105.04560	5.5
105.07047	58.4
107.05002	6.1
107.08603	62.1
109.06535	9.5
109.10179	39.6
111.08081	7.6
115.05450	9.3
115.07558	6.4
117.07024	46.5
119.08582	62.8
121.06557	5.6
121.10145	33.1
123.08105	11.8
123.11695	17.1
125.05998	8.0
125.09589	33.0
129.06998	15.3
131.08577	34.7
133.10161	25.9
135.08089	34.8
135.11713	26.6
137.09624	12.9
142.07903	7.1
143.07088	36.7
143.08543	16.3
145.10103	31.0
147.08029	8.1
147.11655	24.8
149.09605	6.3
149.13206	9.2
153.09114	25.4
155.08580	5.1
157.10135	12.7
159.11720	25.0
161.08171	6.1
161.13246	16.5
163.07495	9.0
169.10107	12.1
171.11649	11.8
173.13301	17.9
175.14746	9.1
177.12726	6.4
181.08589	7.3
183.11694	11.8
185.13319	9.9
199.09654	26.3
199.14883	8.5
200.61328	5.0
201.16388	5.6
209.13367	6.2
239.18121	6.7
255.12296	26.1
259.20575	8.0
261.22202	17.6
297.22122	7.3
299.23547	24.5
301.21530	6.0
315.23093	6.3
317.24866	12.4
333.24179	13.8
335.25897	16.2
377.28592	6.0
395.29514	17.7
405.27893	9.0
407.77768	5.6
413.30280	5.9
423.29065	8.0
441.30093	11.1
487.34299	10.5
497.32666	23.4
515.33508	90.4
533.34949	53.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07328	3.0
53.03952	4.4
55.05519	67.2
57.03436	18.6
57.07086	23.2
60.76268	3.4
61.70499	3.4
63.59029	3.3
67.05513	49.3
69.03438	4.8
69.07069	100.0
70.70248	3.6
71.05009	8.0
71.08633	14.9
71.57530	6.5
79.05494	24.3
81.07065	49.4
83.04971	6.6
83.08628	45.7
85.10175	9.6
87.04445	3.5
91.05457	11.0
93.07060	28.6
95.08611	53.4
97.06536	16.0
97.10177	36.1
105.00042	3.7
105.07024	6.3
107.08593	26.3
109.10152	23.5
111.08114	19.3
111.11710	8.8
115.07591	4.9
119.08601	7.3
121.10132	36.0
123.11721	8.3
125.09641	10.4
135.11658	24.2
139.11194	10.2
140.03485	4.0
149.13239	10.6
153.12703	4.0
177.12878	4.6
177.16370	20.5
191.17947	15.3
195.17455	15.6
198.67998	3.9
207.10110	4.8
209.19022	16.2
213.18414	6.5
227.20187	6.9
237.95836	3.7
269.21140	16.3
283.22739	16.7
287.22171	95.8
301.23755	74.8
314.27737	5.8
403.35770	5.4
421.36771	9.8
495.40411	14.7
513.41528	43.8
531.29382	61.7
531.37512	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	532.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.2
55.01882	6.7
55.05515	31.6
57.03442	8.6
57.07078	5.6
58.35951	3.0
65.03947	7.7
67.05507	100.0
69.03428	21.0
69.07069	25.5
69.52239	9.0
69.52663	10.7
71.04992	7.8
79.05495	97.9
81.03426	21.7
81.07060	99.7
81.07437	1.6
83.04982	10.2
83.08636	13.9
85.02912	29.7
85.06519	3.2
87.04439	3.7
91.05486	59.0
93.07048	98.0
95.04991	14.8
95.08611	77.4
97.02895	13.3
97.06520	10.1
97.10177	6.3
99.04466	5.8
99.08104	3.5
103.03955	4.0
105.07034	55.0
107.04984	4.1
107.08591	51.2
108.04504	3.4
109.02895	7.0
109.06545	7.7
109.10168	37.4
111.04465	7.2
111.08107	4.0
117.07022	29.2
119.08584	49.1
121.06519	4.0
121.10149	46.8
123.04457	2.9
123.08099	3.8
123.11736	7.1
127.03908	7.5
128.06181	5.0
129.05505	6.8
129.07010	12.9
131.08571	38.2
133.06451	4.0
133.10136	29.7
135.08057	6.4
135.11688	31.0
137.09619	6.6
141.07005	3.3
143.08556	14.0
145.04988	3.9
145.06476	4.8
145.10141	31.2
147.08078	4.3
147.11687	21.5
149.09589	5.1
149.13264	20.7
155.08585	6.5
157.10168	10.6
159.11693	24.0
161.06042	3.5
161.09648	3.3
161.13239	14.8
163.14862	8.6
167.08617	4.5
169.10155	4.6
171.11708	10.1
173.09731	3.2
173.13301	20.0
175.11151	5.1
175.14832	7.6
177.12857	3.1
178.88139	2.6
181.10150	5.3
183.11703	4.5
185.09473	2.9
185.13300	9.4
187.14864	8.6
189.12787	3.3
197.13205	3.6
199.11136	4.7
199.14845	6.0
209.13214	3.8
213.12825	3.2
213.16312	3.0
217.15839	5.0
241.19499	4.4
243.21147	10.4
259.20590	9.7
261.22137	45.6
271.17044	3.5
271.20493	3.4
273.22311	5.2
277.14462	3.1
277.21631	10.5
285.22076	4.9
289.21637	7.8
291.23245	6.9
301.21619	6.1
303.23184	8.8
313.21671	3.6
315.23129	8.5
319.22757	6.0
327.23187	6.1
331.22577	4.7
341.24609	5.1
345.24213	4.7
351.23196	9.1
359.25497	3.5
369.24228	33.0
387.25323	23.6
405.26376	30.7
423.27380	14.3
474.28357	3.6
476.24774	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.5
54.04520	1.6
55.01872	5.1
55.05522	20.8
57.00122	1.5
57.03443	14.3
57.07063	2.6
60.08319	1.8
64.80780	1.6
65.03944	4.5
67.05508	75.3
69.07072	18.1
69.81194	6.9
69.81607	3.6
71.04982	6.3
71.08614	1.8
79.05058	2.7
79.05499	47.1
81.03427	13.3
81.06586	2.2
81.07063	59.3
83.04982	14.5
83.08608	6.0
85.06558	4.9
87.04500	4.1
91.05486	100.0
92.05798	1.7
93.07053	40.9
95.04976	14.5
95.08051	2.7
95.08614	40.2
97.02880	3.2
97.06512	5.9
97.10139	4.5
105.04530	2.4
105.07034	50.1
107.04957	13.5
107.08602	24.3
109.06476	3.1
109.10167	18.6
111.08071	4.3
117.07015	15.9
119.08601	26.9
121.10146	17.2
123.11714	4.7
125.09625	2.1
127.07525	2.0
128.06218	3.7
129.07024	7.3
131.08589	22.3
133.06483	6.7
133.10139	43.8
134.10445	3.3
135.08055	8.0
135.11711	13.2
143.08615	11.5
145.10120	11.0
147.08083	2.5
147.11676	6.0
149.09641	14.7
149.13292	8.1
151.11145	4.4
157.10117	5.5
159.11696	8.8
161.09634	17.6
161.13252	6.0
163.11215	2.7
163.14780	2.8
169.10143	3.0
171.11723	6.1
173.13304	6.9
175.14798	3.5
177.09074	2.9
177.16434	2.2
179.10725	11.9
183.11664	5.6
185.13315	2.3
187.14870	4.1
197.13298	2.7
199.14799	2.8
211.14935	2.0
221.13280	3.0
222.44875	1.8
243.21004	2.8
251.12796	7.3
253.14325	45.4
259.20453	2.3
261.22125	14.9
305.60266	1.9
307.12109	1.8
335.25851	31.5
386.08325	1.8
403.29990	2.6
421.30838	4.9
439.31824	4.4
457.33469	3.0
487.34555	2.2
513.35779	36.0
531.36749	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	531.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51226	4.9
55.05520	6.3
66.94234	5.1
67.05500	16.6
69.07072	11.2
69.30760	50.6
78.69357	5.4
79.05499	11.5
81.07053	13.3
81.84911	7.2
91.05502	12.2
92.32475	5.0
93.07045	18.0
95.04961	5.4
95.08627	10.1
98.21515	10.9
100.72999	5.2
105.00121	7.9
105.07047	16.8
107.08604	8.3
109.10209	6.8
117.07003	5.9
119.08607	13.5
131.08582	6.9
133.10138	13.7
143.08606	4.8
145.10147	6.6
152.57712	4.7
161.81445	5.2
197.39539	5.7
264.77231	5.3
286.07379	5.5
439.31543	5.7
452.63043	5.9
455.98730	6.3
483.55914	5.2
500.02374	5.8
513.35614	11.2
531.27203	100.0
531.36371	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	10.1
55.01875	2.8
55.05517	26.9
57.03437	11.5
57.07074	4.1
60.40752	1.9
63.02922	2.0
65.03952	4.4
67.05509	74.4
67.05872	3.6
69.03444	2.4
69.07069	17.5
70.27169	5.5
71.05004	3.2
77.03967	1.9
77.44711	1.8
79.05499	94.5
81.03427	7.5
81.07063	66.7
83.04990	10.5
83.08625	10.4
85.06556	3.0
87.04472	3.4
91.05489	60.7
93.07050	100.0
95.04976	17.4
95.08613	41.5
97.06551	6.6
97.10177	4.9
98.20812	2.2
99.08088	2.6
105.07035	43.9
107.04964	5.8
107.08604	25.3
109.06525	4.8
109.10152	16.1
111.08096	2.5
117.07005	14.7
117.71914	2.0
119.08590	24.7
121.10147	24.8
123.08076	5.8
123.11703	3.9
128.06256	3.9
129.07039	15.8
131.08606	14.9
133.10143	20.8
135.08067	3.9
135.11688	15.0
137.09682	2.7
143.08578	9.8
145.10124	16.3
147.11710	36.3
149.13243	6.2
151.11172	3.0
155.62448	1.7
157.10168	3.2
159.11687	10.9
161.09654	2.6
161.13249	9.7
169.10104	2.1
171.11691	23.9
173.13252	5.2
183.11809	2.0
189.12758	8.6
197.13292	2.0
199.14912	2.1
207.13835	23.0
215.17934	11.7
233.19093	7.8
279.16129	3.5
281.17490	33.6
307.22687	57.5
341.25296	2.1
404.32843	2.1
421.31244	3.7
513.35809	71.6
531.36810	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	10.0
57.06871	2.9
57.07083	34.8
64.29877	3.3
67.05509	21.4
69.07077	24.1
70.34075	12.0
71.04989	6.1
71.08636	24.2
77.33714	3.9
79.05502	4.4
81.07063	31.5
83.08627	26.9
85.10177	13.4
87.04478	44.5
93.07077	6.3
95.08611	54.8
97.10155	6.9
100.01524	3.7
105.00122	3.9
105.07009	4.5
109.10168	26.6
111.11758	4.0
117.93797	3.7
119.08591	4.4
123.11682	7.7
133.67935	3.7
135.11737	4.8
147.11641	4.0
165.16422	7.1
206.20769	3.9
219.17502	4.2
229.18021	28.4
276.90991	6.9
285.20612	61.5
285.24243	100.0
495.40466	51.6
530.37433	4.5
531.36493	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	531.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.1
57.03437	0.6
69.03429	0.7
69.38902	3.0
69.39311	1.9
70.02953	0.5
70.06577	0.7
74.00677	0.6
76.03995	1.7
79.67387	0.5
80.05019	0.8
83.06107	0.8
84.04512	8.3
85.02438	0.6
85.02917	9.7
85.04018	1.7
86.09727	0.7
92.01699	1.5
93.05785	2.5
94.06550	0.9
97.01144	0.6
97.02895	0.5
99.02685	2.4
99.05582	1.2
100.02215	1.2
105.05759	0.6
106.06557	0.9
109.07671	0.7
112.04004	0.6
113.03485	1.1
117.05811	0.7
118.06538	2.4
120.08097	0.9
124.02177	1.3
125.02966	9.2
126.03753	16.0
127.02145	1.8
130.05019	5.2
131.03589	0.6
131.04550	1.9
131.07300	1.8
132.08104	3.2
135.02647	3.1
135.85849	0.6
138.03687	0.8
147.02554	0.6
147.04410	0.5
148.07597	1.5
150.03734	1.3
151.04518	0.9
151.06320	0.7
152.05339	1.5
155.08118	0.6
155.41599	0.6
159.06757	0.9
160.07602	2.3
163.03935	0.7
164.05316	8.3
166.03264	2.2
166.06931	0.6
176.07089	1.6
176.89957	0.6
177.03323	6.0
177.07864	1.6
178.08627	1.1
180.04840	0.8
180.10149	0.8
181.06174	0.7
182.06349	1.1
184.04312	1.5
185.03821	1.2
190.06856	0.7
192.03137	1.2
192.04787	11.4
194.08148	1.7
205.07289	1.6
206.08075	0.9
210.05861	19.4
218.06383	1.4
220.04285	1.7
223.08246	0.7
224.09206	7.8
228.06979	2.6
231.04349	7.0
238.05362	11.0
256.06412	100.0
258.07956	0.7
282.07999	6.7
292.06281	1.7
299.10654	6.2
309.09045	1.9
310.07489	7.3
327.10034	3.9
331.12796	0.9
332.13745	0.7
365.11859	1.8
402.13297	8.6
438.13623	0.9
456.14465	0.7
531.17999	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97683	8.5
55.05497	30.6
57.03412	12.6
67.05505	89.7
69.07066	17.3
69.48411	78.5
79.05508	71.5
81.07057	66.7
85.06561	10.0
91.05482	100.0
93.07043	75.2
95.08615	61.8
97.06533	15.3
99.86678	10.7
105.07043	81.0
107.08569	36.9
109.10144	18.7
117.07023	33.0
119.08571	67.7
121.10130	51.7
129.07002	15.7
131.08536	28.9
133.10080	34.4
135.11671	34.2
143.08540	14.9
145.10126	30.5
147.11688	36.1
149.13243	21.7
159.11681	30.7
161.13278	49.4
163.03841	18.2
163.11177	13.3
163.14815	14.8
171.11757	18.3
173.13235	17.1
175.14806	33.2
176.11377	10.6
185.13196	17.3
187.14799	10.7
199.14816	13.3
241.19485	55.0
250.15735	11.9
259.20572	50.4
333.24481	16.9
351.25531	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.6
53.03955	6.4
55.01886	2.2
55.05517	21.9
57.03429	3.6
57.07064	5.5
65.03945	2.8
67.05512	69.9
69.03426	1.3
69.07075	25.7
69.39053	9.6
71.04992	4.7
71.08638	1.9
77.53613	1.2
79.05502	54.6
81.03423	2.1
81.07065	73.7
83.04982	5.3
83.08622	14.0
85.06557	4.2
85.24146	1.2
87.04482	3.7
88.07645	1.9
91.05494	34.0
91.06075	1.8
93.07055	65.4
95.04982	6.2
95.08617	38.2
97.06526	7.3
97.10191	3.2
99.08103	4.1
99.45191	1.3
102.09176	2.2
105.04541	1.4
105.07028	20.2
107.04977	1.6
107.08612	29.3
109.06522	2.5
109.10160	15.2
111.08074	6.5
115.05447	1.1
117.07016	12.3
119.08595	14.4
121.06550	1.9
121.10165	24.7
123.11726	3.5
125.09621	1.3
129.07054	4.3
131.08574	16.6
133.10135	15.4
135.08049	2.3
135.11697	14.1
139.11226	1.6
143.08601	4.7
144.09358	1.4
145.10136	9.6
147.11688	7.4
149.13272	26.8
149.14375	2.1
155.08560	2.5
157.10168	3.0
159.11693	14.0
161.13293	4.6
163.14793	1.7
169.10172	1.4
171.11722	5.4
173.13345	5.8
175.14786	2.7
177.12787	4.6
179.29799	1.1
181.10457	1.1
183.11766	1.8
185.13312	3.4
187.14891	3.0
195.11665	1.5
195.13828	4.5
199.14870	2.5
203.18152	1.3
223.14912	1.6
229.18134	1.5
242.05530	1.2
253.19658	1.3
256.26352	17.1
256.28647	1.3
261.22186	5.9
287.22290	1.5
317.25143	1.1
339.26968	1.4
342.98187	1.2
353.38834	1.4
437.34271	3.8
455.35080	2.0
511.38431	4.5
529.32568	4.0
529.38989	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13150	0.9
53.03945	4.6
55.01870	2.2
55.05255	1.5
55.05514	18.6
55.21244	1.1
57.03433	4.9
57.07064	3.1
58.65105	0.9
59.04991	0.9
59.06098	0.9
65.03941	2.3
67.05510	57.4
69.03415	1.1
69.07072	20.6
70.22874	4.1
71.04991	2.8
71.08622	1.2
77.03958	1.0
79.05499	44.9
79.05962	2.2
81.03442	1.6
81.07063	65.3
83.05001	4.5
83.08627	9.8
83.86346	0.9
85.06552	3.1
91.05489	29.7
93.07053	53.0
95.04980	8.1
95.08612	29.6
97.06539	7.8
97.10165	3.3
99.08085	2.0
103.05411	1.2
105.04520	0.9
105.06380	1.5
105.07045	19.3
107.08599	29.1
109.06538	2.6
109.10162	10.2
111.08096	5.0
111.11755	0.9
113.06023	1.1
115.05433	1.2
117.07025	12.4
119.08581	14.5
121.06511	0.9
121.10150	22.7
123.08036	1.8
123.11713	2.6
125.09650	1.0
126.79752	0.8
129.06993	3.7
130.07848	1.2
131.08574	18.1
133.10135	12.2
135.11693	14.1
139.11205	1.2
141.07051	1.3
143.08566	5.5
145.10126	11.7
147.11699	7.1
149.13277	21.1
155.08585	1.6
157.10143	4.3
159.11713	16.1
161.13301	4.4
163.14842	1.2
167.08614	0.9
169.10153	3.1
171.11746	4.1
173.13289	4.5
175.14867	1.9
177.12808	2.8
181.10121	1.2
183.11714	1.5
185.13255	4.0
187.14850	3.1
195.12115	1.1
195.13727	4.6
197.13263	2.3
199.14798	2.1
201.16501	1.7
209.13379	1.5
211.14833	1.0
223.14868	0.9
261.22208	6.0
299.23660	1.2
312.33606	0.9
317.24820	1.8
340.53519	1.1
345.95679	0.9
419.33243	2.1
437.34293	7.0
455.35211	2.5
473.36673	1.2
493.36429	0.9
506.83109	0.9
511.38049	3.9
529.38940	100.0
530.39355	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	529.301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.7
55.01875	11.9
55.05515	18.8
57.03449	14.7
58.27287	2.1
59.33637	2.3
60.09574	2.9
61.02929	37.6
65.03944	5.3
67.05164	3.3
67.05510	48.4
69.03436	23.3
69.07074	28.9
71.04987	5.2
71.14803	5.4
73.02915	16.5
73.58408	2.4
79.05498	37.3
81.03413	17.7
81.07063	100.0
83.04975	9.5
83.08598	12.8
85.02912	37.3
85.06568	6.1
91.03969	17.4
91.05481	36.8
93.07055	36.3
95.04985	14.3
95.08611	29.3
97.02893	28.5
97.06536	13.5
97.10146	4.7
98.21492	2.7
99.04469	6.9
99.08085	4.8
101.02368	10.9
103.03950	7.1
105.07041	34.8
107.04967	8.1
107.08604	25.3
109.02861	9.2
109.06525	19.7
109.10155	15.0
111.08083	5.9
116.77286	2.0
117.07000	13.0
119.08588	26.2
121.06492	4.0
121.10148	18.3
122.49747	2.3
123.08068	8.3
123.11712	9.8
125.06003	2.6
125.09669	3.0
127.03910	14.9
128.88823	2.7
129.07033	5.6
131.08604	12.2
133.10136	22.5
135.08044	7.3
135.11728	12.4
137.09636	6.6
143.08551	3.0
145.04942	6.5
145.10133	13.1
147.04393	9.9
147.11720	31.0
149.09673	11.4
149.13257	11.3
151.11220	3.4
155.08589	2.7
157.10158	7.1
159.11702	9.6
161.13252	5.6
163.03999	2.7
163.11179	8.1
163.14900	3.7
165.12775	7.7
173.13234	4.7
175.11192	5.9
177.12756	3.7
179.14226	2.7
183.11650	2.6
189.11232	2.6
193.12230	3.5
195.13770	4.3
201.07549	3.5
201.12700	2.9
205.12216	3.1
215.95300	2.2
217.08533	2.6
239.17952	4.7
247.20551	4.8
257.19009	8.6
275.20090	76.4
293.21118	19.0
349.23801	14.6
367.24857	45.5
461.77682	2.2
475.26437	2.8
511.28452	3.0
529.30896	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	529.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56656	1.9
52.84405	1.9
53.03949	10.5
54.70063	2.2
55.01876	10.7
55.05503	13.5
55.81403	2.0
56.96570	2.0
57.03418	10.3
61.02910	8.6
64.39094	2.4
67.05485	7.0
68.99753	5.4
69.03082	2.9
69.03436	53.8
70.06585	2.5
70.58089	8.2
71.04968	7.1
73.02930	11.4
74.47179	2.6
79.05480	8.7
79.22301	2.5
81.03418	54.0
81.07033	5.8
83.04988	17.0
85.02908	80.7
85.06546	4.7
87.00831	33.1
91.04003	3.0
91.05476	13.2
92.69119	2.4
93.07048	14.9
95.04961	16.1
95.08604	7.5
97.02902	29.8
99.04475	16.0
99.08127	2.5
105.01886	15.5
105.02528	3.0
105.07051	20.6
105.84254	2.6
107.04903	3.2
107.08595	15.3
109.02214	3.9
109.02886	47.4
109.06520	9.1
109.10147	17.0
111.04446	5.0
117.01845	6.2
117.07001	4.3
119.04934	5.2
119.08575	20.0
121.06493	7.1
121.10155	25.8
123.08059	3.9
123.11678	2.4
127.03922	65.6
127.07557	2.6
128.06284	2.9
129.01804	7.0
129.07025	5.2
131.08531	8.7
133.10107	12.5
135.08061	12.6
135.11690	15.1
137.06026	3.0
137.09619	16.8
142.07784	3.6
143.08549	9.0
145.04945	20.6
145.06497	3.0
145.10130	14.5
147.02844	3.7
147.04411	8.5
147.08081	4.3
147.11685	5.1
149.00394	2.2
149.09593	7.9
151.11194	3.2
155.08553	3.4
156.09267	2.4
157.10075	13.0
159.02893	22.2
159.08067	100.0
159.11682	12.8
161.09628	15.3
161.13261	5.2
163.03859	3.5
163.11186	73.3
169.10132	5.2
171.11638	4.1
173.09636	6.4
173.13240	3.2
175.11194	5.6
175.14807	3.7
177.09120	20.2
179.08516	3.5
179.14301	3.2
181.12233	7.3
183.11743	2.7
184.12498	2.7
185.09586	3.7
185.13281	11.6
187.11218	10.5
189.12779	3.5
189.60486	2.3
191.10655	3.1
194.10934	2.5
199.14861	4.9
201.12729	5.5
203.10594	4.0
203.14320	23.5
205.12210	6.2
209.13254	5.6
213.03876	2.5
215.14362	6.1
217.15930	5.5
219.13829	4.0
221.15332	3.4
223.13329	3.9
227.14323	16.6
231.04988	13.0
233.15407	8.0
234.98985	3.8
245.15367	64.4
247.05905	6.0
263.16415	82.5
281.08188	4.8
281.17407	14.7
356.04126	3.0
374.05270	5.7
443.13177	2.8
464.99185	2.3
511.21167	3.0
529.22668	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80964	0.3
53.03942	0.3
57.03444	0.4
60.48914	0.2
61.02917	0.5
62.92186	0.2
63.02409	0.3
64.26949	0.2
65.72970	0.3
67.05508	0.2
69.03430	1.8
71.01668	0.3
71.02002	0.5
73.02901	0.3
79.05489	1.0
81.03421	0.6
83.33459	0.2
85.02914	5.9
89.03926	4.4
91.03950	0.3
93.07069	0.3
95.04968	0.4
97.02905	1.3
99.04501	0.4
107.04982	1.9
109.02922	0.5
117.03385	6.9
127.03927	1.1
130.06570	0.4
132.08110	0.3
135.04430	14.3
145.02866	9.8
145.04001	0.5
145.04880	1.5
159.09225	1.0
163.03920	100.0
164.04198	0.4
164.92639	0.2
175.31979	0.3
181.08731	0.3
188.07140	0.3
205.09723	0.5
254.32323	0.2
292.40646	0.2
336.80899	0.3
386.65033	0.3
529.24652	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.2
55.01871	5.8
55.05498	1.7
57.03192	1.3
57.03443	16.8
57.26089	1.3
61.02934	9.8
67.05503	2.1
68.99798	4.3
69.03434	49.6
71.01344	4.5
71.01723	3.0
71.04987	4.4
73.02924	20.0
76.93585	1.3
77.72900	1.3
78.70631	1.2
79.05517	1.4
79.90499	1.2
81.03422	28.6
81.07048	1.2
81.20427	1.1
83.01338	1.5
83.04984	5.4
85.02909	100.0
87.00838	45.4
87.01307	0.7
95.04988	3.6
95.08618	1.5
97.02899	53.5
97.06544	2.1
99.04465	12.5
103.03958	14.2
105.01871	75.6
107.04980	1.3
109.02885	35.5
111.04423	5.8
113.02350	1.5
115.03937	7.7
117.01842	1.8
123.04453	5.9
125.02345	8.8
127.03923	89.7
129.01831	7.1
129.05484	2.7
133.04996	1.9
135.04454	1.8
139.03896	4.2
145.04967	23.4
145.06026	2.4
147.02861	7.0
147.06577	1.9
149.06100	2.0
150.07634	4.9
151.03947	8.4
153.05553	1.8
159.02881	7.1
165.05502	1.2
169.04964	4.9
171.02942	3.7
175.03951	1.7
181.04967	7.8
187.05960	2.4
189.03954	17.3
193.05032	2.5
199.06079	3.8
205.05043	3.4
211.06084	1.5
213.03932	7.3
217.07097	3.5
223.05992	11.0
231.05006	36.0
231.07231	2.3
233.06624	3.5
241.07051	12.6
249.06105	9.7
256.94888	1.5
259.08160	1.9
273.06088	16.6
306.51321	1.5
327.07089	5.5
343.17715	1.8
345.08301	3.1
363.09262	3.8
515.31573	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.9
53.32826	0.3
55.01867	0.9
55.05510	0.6
57.03430	0.4
67.20168	0.3
68.99792	13.7
69.03091	0.5
69.03422	2.4
70.11618	1.3
71.04986	0.6
73.55620	0.3
79.05499	1.0
81.03422	2.6
81.07066	0.5
83.04979	0.7
85.02918	4.7
87.00826	2.2
87.90380	0.3
89.03923	3.0
91.05506	1.6
93.07042	0.9
95.04969	1.3
97.02899	1.5
99.04465	1.3
103.05474	1.3
105.01861	0.8
105.07047	1.3
107.04939	1.1
107.08603	0.6
109.02888	5.7
109.06533	0.7
109.10147	1.0
111.00809	2.3
111.04448	2.5
115.05444	2.6
117.03360	2.5
117.07011	1.3
119.04953	0.8
119.08574	1.8
121.02813	0.4
121.06472	0.3
121.10152	1.1
123.04446	2.2
127.03934	3.4
127.05462	1.0
128.06276	0.5
129.01753	0.4
129.07042	0.4
131.04955	2.5
133.06541	0.4
133.10136	0.9
135.04428	6.4
135.08034	0.6
135.11665	0.4
137.02362	1.0
137.06000	3.0
137.09627	1.1
139.05406	0.5
142.07800	0.4
143.04924	3.5
143.08516	0.4
145.02855	5.6
145.04927	0.7
145.06508	3.2
145.10133	0.6
147.04410	1.8
147.08073	0.3
148.17490	0.3
149.05998	0.5
149.09625	0.4
151.07581	0.4
155.04927	9.8
155.06033	0.8
155.08463	0.3
155.20372	0.3
157.10219	0.4
159.02942	1.2
159.04433	2.4
159.08035	3.1
159.11679	0.9
161.05986	4.0
161.09653	0.5
163.03912	54.5
163.11198	2.7
164.04260	0.8
166.37466	0.3
173.05995	7.5
175.14803	0.3
177.05492	2.1
177.09081	1.2
181.12204	0.4
183.04430	8.5
187.03867	4.9
201.05487	14.1
203.14343	0.9
205.04993	1.1
211.03893	3.1
215.14276	0.5
219.06519	6.1
227.14323	0.8
228.10233	0.8
229.04979	5.2
231.04848	0.7
233.15376	0.4
244.09657	0.9
245.15378	2.6
247.06030	100.0
248.06372	1.7
263.16470	3.9
281.08200	0.5
281.17465	0.5
456.77240	0.3
529.22717	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
55.05513	62.2
57.03445	14.5
57.07078	33.6
62.14629	2.0
62.40866	1.9
67.05512	35.8
69.07072	100.0
69.38785	18.0
71.08636	10.9
73.06552	4.5
75.04493	6.0
76.90306	2.0
79.05499	21.2
81.07066	37.2
83.05012	3.9
83.08625	58.5
84.47504	1.9
85.06566	3.2
85.10202	6.7
87.04459	2.4
89.06029	12.5
91.05504	9.8
93.07056	26.7
95.04951	3.1
95.08614	37.2
97.06548	21.7
97.10176	36.3
101.06012	2.9
107.08598	21.4
109.10168	24.8
111.08123	6.8
111.11700	14.9
112.72431	2.4
115.07605	5.2
117.07054	2.9
121.10152	25.2
123.11726	7.8
125.09637	11.0
125.13285	2.8
129.09161	5.8
133.08662	5.6
133.10184	3.0
134.08980	2.9
135.11703	25.0
139.11185	11.0
143.10741	3.7
149.13280	11.9
153.12788	8.1
167.14314	3.8
182.74579	2.2
191.17943	36.8
209.19037	40.6
227.20070	9.9
253.52806	2.1
283.22678	76.5
285.38647	2.0
301.23782	40.1
327.20203	3.0
328.20477	3.7
397.01312	2.1
509.42056	5.8
527.36517	2.9
527.43188	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	527.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33782	1.7
53.03956	3.5
54.42264	1.6
55.01879	3.2
55.05517	63.4
57.03440	14.6
57.07081	25.1
67.05168	3.4
67.05510	55.6
69.07075	100.0
69.63414	12.0
71.04994	3.7
71.08636	13.3
73.06558	3.5
79.05057	2.6
79.05501	30.9
81.07067	60.3
83.04991	5.6
83.08133	3.8
83.08625	62.1
85.06549	5.6
85.10188	7.1
89.06037	8.8
91.05473	9.1
93.07055	42.2
93.52196	2.0
95.05019	2.0
95.08614	66.2
97.06543	21.2
97.10176	39.4
99.08097	4.9
101.06043	2.7
101.09695	1.7
107.08604	31.3
109.10162	42.4
111.08080	11.8
111.11736	15.6
113.09629	2.0
115.07605	3.7
119.08611	3.1
121.10155	44.1
123.11730	12.2
125.09645	11.7
125.13251	2.8
127.11172	1.7
129.09149	4.3
131.08589	3.1
133.08611	4.7
133.10146	2.6
135.11703	38.9
137.13266	3.7
139.11195	13.8
143.10699	4.4
147.06316	2.2
147.11732	3.7
149.13264	15.8
151.07663	2.2
151.14842	1.7
153.12758	6.3
157.48624	1.9
158.84343	1.7
163.14822	7.0
167.14307	1.9
171.13736	2.1
173.13251	2.2
181.15926	4.8
181.37314	1.6
191.17969	40.4
191.19604	3.2
207.17349	2.8
209.19029	59.0
227.20058	17.8
245.17505	13.9
283.19113	13.3
283.22714	19.0
301.20465	3.6
301.23776	8.5
327.20154	2.3
328.20615	4.3
399.36230	2.7
417.37152	15.6
435.38300	19.5
453.39523	4.3
493.17575	1.9
509.42184	15.8
527.43848	33.8
551.61029	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	12.5
54.76647	5.4
55.01870	17.5
55.05260	7.0
55.05515	83.2
57.03435	11.3
62.18171	4.4
67.05505	54.2
68.36320	4.8
68.99773	5.5
69.03424	41.7
69.07074	71.5
71.05009	6.6
71.38664	8.2
73.02912	6.2
79.05502	32.6
81.03430	29.2
81.07059	100.0
83.01335	15.9
83.04980	29.7
83.08619	25.7
84.04492	8.1
84.94384	6.5
85.02898	34.9
85.06544	31.2
86.06877	6.5
86.09705	5.5
87.00826	11.4
91.05486	33.1
93.07051	62.6
95.04962	15.7
95.08611	91.8
97.02888	20.6
97.06529	14.5
97.10180	74.4
99.04472	6.7
99.08091	37.2
100.08447	5.8
101.07168	6.6
103.05467	6.3
105.01849	12.8
105.07053	46.1
107.08602	62.2
109.02882	24.0
109.06541	35.7
109.09571	5.0
109.10181	68.9
111.04474	7.5
111.08093	13.2
112.13671	4.3
112.46855	4.5
117.07056	11.0
119.08581	42.5
121.06504	17.9
121.10154	48.9
123.04452	7.2
123.08070	20.4
123.11714	25.1
125.05993	15.6
125.09644	29.1
127.03942	38.6
129.07014	6.6
131.08575	18.6
133.06465	12.2
133.10144	40.6
135.08073	21.4
135.11707	21.9
137.05986	34.5
137.09607	25.1
139.03952	11.2
139.07553	16.9
139.11205	12.1
141.05519	5.7
143.08636	7.3
143.10712	11.6
143.11734	7.6
145.05016	9.1
145.10133	25.0
147.04410	6.9
147.08044	6.8
147.11691	32.0
148.12016	5.4
149.06035	7.5
149.09618	22.0
149.13258	17.8
151.03935	11.6
151.07570	27.4
151.11104	7.6
153.05423	18.0
153.09091	8.1
157.10156	14.5
159.02855	6.8
159.08101	5.0
159.11728	15.5
161.05998	5.6
161.09650	14.7
161.13269	13.6
163.03893	5.8
163.07596	9.1
163.11244	15.6
164.76994	6.2
165.05457	28.0
165.09119	21.3
165.12762	12.0
166.13033	6.5
167.07069	29.4
171.06578	7.7
171.11725	11.2
173.09621	11.5
173.13252	9.5
174.39133	4.7
175.11200	11.5
175.14836	7.9
177.09131	9.1
177.12682	8.6
179.07062	25.4
179.10722	8.5
183.11705	7.3
185.13277	8.9
187.11171	7.5
187.14748	5.5
189.09192	8.6
189.12741	8.5
191.10637	7.9
193.08621	9.3
193.12242	9.3
195.10095	5.3
195.11833	5.6
201.09053	5.8
201.12976	5.5
201.16473	5.1
203.14232	6.2
205.08640	11.2
205.12303	6.5
207.13776	7.9
215.10707	6.4
217.08632	31.1
219.13843	5.6
219.17558	5.3
259.20544	13.2
260.21069	12.1
261.18591	8.7
261.21243	12.8
273.14914	8.1
273.18527	6.5
279.23358	11.9
282.00552	5.7
289.17911	12.8
291.19424	6.8
299.16360	7.4
301.18118	5.4
303.19565	7.9
305.14020	5.3
331.19153	7.4
331.67517	5.1
335.18582	7.7
388.59924	5.4
409.27206	9.8
411.28607	6.6
417.65826	6.2
427.28448	16.7
429.30023	7.4
435.16595	8.1
437.26892	12.7
445.29526	94.6
455.27713	21.7
473.28983	73.7
480.01758	5.0
491.29990	35.9
509.31351	8.3
527.29114	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	527.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.8
55.01877	6.3
55.05515	27.9
55.24009	1.9
57.03442	10.9
61.02929	17.2
67.05511	27.4
69.03427	22.0
69.07064	22.0
69.57297	7.7
69.57706	7.4
70.75421	2.1
71.04985	4.2
73.02917	7.1
78.84973	2.2
79.05499	34.0
81.03428	26.8
81.07064	28.7
83.04989	6.4
83.08634	11.3
85.02924	19.1
85.06606	2.3
91.03968	6.7
91.05480	22.7
93.07051	22.8
95.04990	13.1
95.08617	15.4
97.02899	24.5
97.06549	6.6
97.10188	16.2
99.04465	5.8
99.08102	2.3
101.02386	5.7
103.03963	4.1
105.07038	13.3
107.04973	8.3
107.08616	20.3
109.02888	7.0
109.06545	4.5
109.10141	11.4
110.09112	2.3
111.04472	3.6
111.08086	3.3
117.07043	8.2
119.08582	15.0
121.06533	5.8
121.10165	7.1
123.08070	8.8
125.09659	16.9
127.03916	14.2
128.06171	2.5
129.05496	3.1
129.07042	5.7
131.08583	8.3
133.06506	2.8
133.10150	5.7
135.08105	5.9
135.11745	3.6
137.09604	4.7
143.08542	3.0
145.04980	3.1
145.10123	9.3
147.08061	7.3
147.11725	4.9
153.09149	3.3
157.10182	2.6
159.11693	4.2
161.09671	3.1
163.11214	4.8
165.09148	6.1
169.28328	2.3
171.11606	3.5
175.11192	3.8
179.25247	2.6
181.73380	2.4
183.06381	3.8
189.11208	8.8
191.10724	2.4
193.12241	8.2
201.07655	2.3
211.13306	8.8
223.13354	22.4
227.12804	3.5
249.14996	3.4
267.15869	2.3
273.18561	18.1
288.21814	2.4
291.19577	100.0
304.44028	2.5
306.57629	2.2
347.22174	5.8
365.23233	30.8
429.21317	2.4
460.23740	2.4
527.28461	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	527.144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43964	1.1
52.32022	1.2
56.96573	16.7
71.56376	1.1
74.97601	1.5
75.47182	1.2
84.96042	7.8
85.02922	3.0
91.05478	2.8
97.02930	1.7
98.97597	32.1
102.97092	1.9
110.97585	10.8
112.99140	1.5
116.98633	13.4
119.01904	2.7
119.04948	3.8
120.08180	2.2
123.04410	1.4
123.34938	1.3
128.98621	14.0
131.00204	4.3
131.01920	4.4
133.03485	1.8
134.99693	7.1
140.98576	1.6
143.00194	5.9
144.98160	2.9
145.03564	1.8
146.99646	7.7
147.03358	2.4
147.04404	11.6
149.01300	2.6
158.99629	7.9
159.03314	9.9
161.01273	6.2
161.04897	13.7
162.99168	2.4
163.03947	2.6
165.00867	1.6
170.99658	4.1
171.64847	1.3
173.01288	1.6
177.00714	9.3
177.04358	13.8
179.05933	13.6
187.08192	4.5
189.00717	4.6
191.02493	1.5
195.01836	2.1
195.05423	1.4
199.08202	6.2
201.00803	4.0
203.05928	18.8
205.07526	1.5
205.09203	1.7
215.05966	3.1
217.09280	1.8
219.01785	29.0
221.05197	1.3
221.07040	8.1
221.08832	1.5
229.09334	2.6
231.05482	2.4
237.00415	3.0
237.02821	53.5
239.02328	5.5
245.07077	6.4
255.03822	2.3
257.03342	3.5
263.07986	1.3
279.01645	1.4
289.11429	7.9
305.09091	50.5
307.12381	5.6
309.90607	1.3
323.10156	60.3
324.10553	1.5
346.11755	3.4
407.04507	2.4
445.49911	1.4
469.13916	100.0
470.14514	1.7
527.14539	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	525.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	16.1
55.01868	6.1
55.05518	32.7
57.03446	33.1
57.07076	9.1
61.02649	4.1
61.02934	75.1
65.03962	4.7
67.05511	93.0
69.03082	3.2
69.03432	45.3
69.07069	35.0
69.24176	32.4
71.01354	7.3
71.04998	7.7
71.08623	4.4
73.02928	31.5
79.05065	4.6
79.05500	62.7
81.03440	26.4
81.07064	100.0
83.04985	10.2
83.08631	15.3
85.02908	71.8
85.06545	4.3
85.10171	4.1
87.04469	4.4
89.06029	8.9
90.23037	3.0
91.03971	38.7
91.05486	51.7
93.07053	77.3
95.04956	11.6
95.08617	79.0
97.02899	63.8
97.06554	6.8
97.10181	6.9
98.20790	7.4
99.04453	13.1
99.08131	3.4
101.02385	16.8
103.03947	9.9
105.07042	33.8
107.08609	38.1
109.02891	9.6
109.10180	30.5
111.04413	4.6
115.03941	3.8
117.05508	3.1
117.07016	16.0
119.08592	26.0
121.10139	32.9
123.08071	3.9
123.11724	6.0
125.09676	5.3
127.03923	32.2
127.11153	4.3
129.05511	7.1
129.07013	6.4
131.08568	27.2
133.08604	3.4
133.10121	16.3
135.07993	3.3
135.11687	15.4
143.08583	4.9
143.88463	3.4
145.04927	10.4
145.10081	17.4
147.11736	7.5
149.13277	12.0
157.10167	4.9
159.11696	9.1
161.13274	5.7
163.11160	5.0
163.14822	10.1
171.11745	7.8
173.13295	12.9
175.14890	7.9
177.16484	4.9
181.10229	3.5
183.06575	4.6
183.11745	4.3
187.14848	7.4
189.16412	5.1
199.14906	5.2
201.16324	5.6
203.18021	4.7
215.17834	3.3
236.15074	3.8
271.24268	8.7
289.25186	15.7
295.57736	3.2
344.34775	3.3
363.28958	85.5
391.28397	4.0
507.34021	6.7
525.34912	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	526.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	5.5
55.05529	10.0
57.03437	13.4
57.07082	38.1
57.33681	1.9
61.00957	1.8
67.05509	33.5
69.07072	10.3
70.17363	8.2
71.04986	2.7
71.08286	2.2
71.08638	28.8
74.09762	2.0
75.52274	1.8
79.05502	19.5
81.03431	3.2
81.07069	24.2
83.04982	18.6
83.08621	8.9
83.09062	1.8
85.06573	3.9
85.10200	14.2
87.04487	2.3
89.06039	33.1
91.05489	62.9
93.07046	10.5
93.07570	2.3
95.04980	31.4
95.08624	24.3
97.06533	17.1
97.10154	5.6
98.95215	1.9
105.03459	2.5
105.07044	33.6
107.04935	2.1
107.08587	4.7
109.06485	2.8
109.10154	10.4
113.05978	3.3
114.53510	2.0
115.05425	2.7
117.07032	12.2
119.08566	10.5
123.11745	3.2
128.06229	9.9
131.08578	7.7
133.08611	17.3
133.10135	34.9
134.59985	2.0
135.08054	5.3
143.08582	13.2
151.09727	1.9
151.11179	5.0
161.09628	14.6
177.11244	7.1
179.10706	4.1
183.95610	2.1
221.13881	2.1
239.23692	4.9
253.14386	78.0
289.39175	1.9
313.27383	92.4
327.19995	12.9
386.40591	2.7
491.37372	100.0
519.01605	2.5
526.41522	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	525.3062
Annotation	Carthamosterone B
Peak:m/z	Relative Intensity
50.78773	1.0
53.03951	6.9
53.57880	1.1
55.01878	2.7
55.05511	9.3
57.03424	1.5
57.07063	1.2
57.78826	0.9
65.03928	2.5
67.05508	25.7
69.03431	4.5
69.07063	7.3
71.04985	6.1
71.36572	1.4
79.05490	7.7
81.03434	1.7
81.07060	27.2
82.42726	1.1
83.01345	17.0
83.04958	4.6
83.08606	1.9
85.02897	7.3
85.06542	3.2
87.00821	1.0
91.05476	5.5
93.07043	14.9
95.04971	4.5
95.08609	34.2
97.02909	3.4
97.06525	2.5
97.10188	5.1
99.08096	1.9
101.06013	2.6
105.07030	6.1
107.04980	3.5
107.08611	11.2
109.02879	1.6
109.06540	4.2
109.10155	22.0
111.08080	2.2
113.09664	3.4
117.07007	1.5
118.09173	1.0
119.08567	8.6
120.08158	1.3
121.06528	2.0
121.10153	8.9
123.08086	3.2
123.11731	6.3
125.06022	1.1
125.09640	3.3
127.03954	3.4
129.01834	7.1
131.08563	2.2
133.06516	1.2
133.10130	6.3
135.04413	14.3
135.08093	1.7
135.11708	4.4
137.05991	3.3
137.09637	4.1
138.70181	1.0
139.07518	1.8
141.09163	1.7
143.08565	1.0
143.10657	1.5
145.10115	2.0
147.08058	2.0
147.11720	4.5
149.09615	1.9
149.13287	1.9
151.07629	2.0
151.11246	1.5
153.05470	9.5
157.10132	2.4
159.11728	1.8
161.09579	1.7
161.13306	3.0
163.03999	2.4
163.07553	1.3
163.11249	1.6
165.09154	3.1
167.07074	1.8
175.14792	2.3
177.09239	1.2
181.04953	30.0
181.06482	1.5
183.06587	2.7
187.11134	1.1
189.09195	1.5
195.04785	0.9
195.05196	0.7
195.06541	36.7
199.06027	59.5
205.12344	1.1
206.39398	1.0
207.06584	1.5
209.08102	15.2
209.13171	1.1
221.08029	6.5
223.09651	21.0
223.11638	1.6
235.09656	7.1
237.11244	13.8
245.15504	1.3
247.09734	1.5
249.11220	9.5
251.12885	3.6
259.16916	2.3
259.20660	3.6
261.11386	2.0
263.12790	2.3
277.14471	1.4
287.16406	1.4
289.14688	1.5
291.15884	5.7
303.15918	2.4
305.17453	4.8
307.19034	7.6
307.22147	1.3
315.15979	1.1
317.17599	9.6
319.19061	5.0
323.18869	1.3
329.17355	1.4
333.16736	1.3
335.18512	10.5
347.18472	2.6
362.13516	1.3
376.53802	0.9
390.94913	1.0
406.17874	1.5
408.54184	1.0
425.26862	2.4
443.27899	11.6
445.29669	3.1
453.26859	1.3
457.69293	1.0
461.29001	17.6
471.27283	5.6
489.28445	26.0
507.29578	76.9
508.29852	1.6
525.30695	100.0
526.31171	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	525.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.3
54.59373	1.6
55.01877	4.4
55.05515	13.3
57.03453	4.1
57.07092	9.4
61.02917	2.7
62.16362	1.6
67.05215	2.0
67.05517	23.1
68.99786	3.3
69.03082	3.2
69.03436	34.4
69.07052	6.9
69.23333	18.0
71.04987	5.9
73.02921	3.3
77.48917	1.8
79.05496	11.0
81.03429	25.2
81.07070	20.7
83.04974	5.9
83.08644	3.2
85.02427	2.5
85.02914	34.0
85.06553	79.4
87.00848	18.6
91.05499	10.2
93.07045	14.4
95.04981	4.7
95.08618	22.9
95.87926	1.7
97.02912	18.6
97.06547	2.3
97.10191	3.6
98.20632	2.1
99.04459	7.4
99.08102	86.6
105.01872	10.2
105.07043	28.4
106.73864	1.8
107.08626	13.5
109.02882	20.2
109.06537	12.1
109.10147	11.6
117.01859	3.4
119.08597	30.6
121.06526	2.7
121.10155	35.6
123.08054	6.9
123.11714	9.1
125.09634	22.2
127.03924	28.8
128.06171	2.3
129.01857	3.9
131.08577	5.6
133.10136	18.5
135.08009	2.3
135.11711	5.7
137.09630	7.2
137.13293	4.7
139.11168	9.5
143.08578	7.5
145.04939	7.6
145.10092	10.5
147.08086	2.8
147.10634	3.4
147.11703	38.1
149.13252	2.7
151.11157	6.7
156.09337	3.0
156.59929	1.8
157.10132	9.5
159.02914	11.1
159.11667	11.2
161.09628	7.0
161.13271	8.7
163.11264	2.2
165.09142	4.6
165.12810	24.2
170.10942	2.4
171.11702	9.4
173.13284	5.9
175.11215	4.7
175.14880	5.6
177.12787	2.2
179.14317	13.5
185.13251	9.7
187.11104	2.4
189.12770	3.9
197.04378	2.1
199.14838	13.2
201.16409	18.3
203.14311	5.3
217.15935	5.0
231.05077	4.6
241.19560	11.2
259.20593	100.0
260.21036	2.5
277.21704	11.8
289.21515	2.3
301.21765	2.2
332.06448	1.8
446.20602	2.1
525.27252	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	525.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87320	1.1
53.03955	7.6
54.12105	1.3
55.01865	5.4
55.05520	10.1
57.03438	5.1
57.07078	6.8
61.02921	3.0
61.72975	1.3
65.03945	2.0
65.54380	1.4
67.05508	22.5
68.99799	3.6
69.03432	30.1
69.07076	8.7
69.20275	1.4
71.01378	2.6
71.04984	4.3
73.02922	4.4
79.05502	7.9
81.03424	25.1
81.07066	21.5
83.01331	1.7
83.04977	5.1
83.08613	3.2
83.46822	1.3
85.02910	35.8
85.06551	64.0
87.00832	14.5
91.03941	1.5
91.05482	10.0
93.07059	11.9
95.04973	5.7
95.08617	26.0
97.02903	13.0
97.06535	2.1
97.10248	1.5
99.04472	9.3
99.08103	65.1
105.01886	10.0
105.07036	26.8
107.04929	1.5
107.08610	15.5
109.02884	20.3
109.06519	11.7
109.07185	1.8
109.10175	18.1
111.08104	2.2
113.09687	1.8
115.03923	2.0
117.01862	3.9
117.07007	2.2
119.08592	34.4
119.39396	1.2
121.06501	3.9
121.10159	31.8
123.08071	6.7
123.11712	8.8
125.05966	2.0
125.09646	14.3
127.03925	26.2
129.01920	3.0
131.08563	5.9
133.06519	2.2
133.10141	21.1
135.08061	3.8
135.11707	4.8
137.06033	1.6
137.09624	9.5
137.13293	1.7
139.11177	4.0
142.07800	2.9
143.08562	6.6
145.05016	6.4
145.10138	15.2
147.02867	1.6
147.08089	2.9
147.11700	28.4
149.09653	3.1
149.13280	3.2
151.11183	5.0
156.09386	2.8
157.10155	10.3
159.02872	9.3
159.11693	12.0
161.09656	3.6
161.13304	8.5
163.11218	1.7
165.09138	21.4
165.12758	17.2
170.10971	1.8
171.11664	12.8
173.13307	7.6
175.11192	4.6
175.14809	4.0
177.12791	5.6
179.14319	12.6
181.04922	2.0
185.13263	13.7
187.14861	2.5
189.12766	5.3
189.16400	1.7
190.13487	2.3
191.14296	2.2
195.06549	3.2
199.06050	4.1
199.14879	10.8
201.16397	17.1
203.14355	8.2
217.15929	4.0
218.16597	1.4
223.09785	1.4
231.05008	3.8
241.19519	13.7
259.20587	100.0
260.20822	1.6
277.21585	9.0
283.55374	1.4
300.77975	1.4
439.14798	1.4
441.09808	1.6
469.90710	1.8
471.27246	1.5
484.05054	1.7
507.29434	3.1
525.26624	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	525.27
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17484	0.9
53.03944	6.3
55.01873	4.3
55.05506	11.8
55.09524	1.0
57.03434	3.9
57.07079	6.3
61.02911	2.4
63.16030	1.2
65.03934	2.0
67.05508	21.5
68.99793	3.2
69.03431	31.4
69.07076	7.1
71.01331	1.0
71.04991	3.2
71.56484	1.4
73.02921	3.3
79.05502	9.6
81.03424	22.1
81.07059	20.6
83.04993	6.8
83.08630	3.1
85.02909	29.2
85.06548	60.5
87.00823	9.8
91.05482	9.0
93.07054	12.9
95.04984	4.6
95.08043	1.8
95.08614	24.8
97.02889	11.1
97.06551	2.9
97.10172	4.1
99.04459	6.3
99.08096	69.3
105.01860	8.4
105.07033	22.6
107.05016	1.1
107.08598	16.2
109.02885	20.6
109.06538	13.3
109.10154	15.4
111.08086	2.7
113.09639	2.4
115.03938	1.2
115.05402	1.0
117.01855	3.1
117.07045	3.1
119.07947	0.6
119.08585	29.1
121.06534	2.5
121.10149	31.5
123.08089	8.6
123.11709	7.3
125.06008	4.4
125.09638	15.8
127.03925	23.3
127.07603	1.2
128.06207	1.0
129.01840	2.3
129.07013	2.2
130.07741	1.2
131.08582	4.8
133.06474	1.2
133.10139	18.8
135.08049	2.2
135.11688	6.0
137.06023	1.5
137.09637	5.7
137.13278	2.6
139.07596	2.1
139.11169	6.5
142.07779	3.3
143.08542	6.1
145.04947	7.1
145.10123	12.7
147.02908	1.3
147.08060	3.8
147.11691	27.3
149.09625	3.5
149.13254	1.8
151.11183	3.9
153.12732	1.1
155.08598	1.3
156.09355	1.9
157.10110	8.3
159.02882	7.8
159.08028	1.4
159.11687	10.4
161.09628	4.0
161.13269	6.7
163.07579	1.0
163.11165	1.8
165.09119	4.1
165.12755	19.7
167.07048	2.1
169.10214	1.2
170.10918	1.5
171.07877	0.9
171.11719	7.2
173.09694	1.3
173.13312	6.6
175.11244	5.0
175.14795	5.6
177.12784	2.9
179.14317	13.3
184.12556	1.3
185.13278	12.8
187.14882	1.7
189.12782	4.4
190.13564	2.1
191.10745	1.4
191.14305	1.7
199.14838	11.0
201.12770	1.6
201.16423	15.1
203.14313	6.9
208.03716	1.0
213.04073	1.2
217.15872	4.2
229.16034	1.1
231.05045	4.5
241.19548	7.9
259.20587	100.0
260.21036	1.9
261.22211	1.3
277.21616	11.2
301.21683	1.0
525.27039	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	525.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	6.7
55.01873	5.4
55.05524	8.7
55.21776	1.4
56.19966	1.3
57.03432	4.5
57.07070	5.9
61.02919	1.4
65.03941	2.2
67.05515	18.4
68.99786	2.7
69.03082	1.7
69.03435	31.1
69.07084	7.2
69.58393	9.2
71.05000	3.4
73.02911	4.6
79.05506	8.0
81.02981	1.7
81.03427	24.0
81.07071	20.8
83.04992	5.4
83.08647	2.3
85.02914	29.1
85.06555	66.5
87.00850	12.1
91.03960	2.3
91.05499	7.8
93.07055	9.6
93.75174	1.3
95.04983	4.4
95.08617	22.4
97.02917	11.4
97.06517	2.1
97.10165	2.1
99.04467	8.8
99.08107	76.7
105.01872	7.3
105.07040	22.1
107.08604	14.0
109.02893	17.3
109.06541	13.5
109.10178	8.5
111.08083	2.8
113.09673	2.0
117.01824	1.9
117.07043	1.3
119.08595	28.5
121.06495	2.3
121.09332	1.6
121.10168	32.1
122.10906	1.5
123.07327	1.4
123.08067	9.3
123.11715	6.3
125.06032	5.0
125.09622	15.0
125.85623	1.2
126.03452	1.2
127.03069	2.2
127.03932	24.0
129.01834	1.4
129.06958	1.8
131.08551	5.1
133.10161	17.2
135.08025	2.6
135.11702	5.9
137.05821	1.5
137.09628	6.4
137.13303	2.7
139.07599	1.5
139.11179	7.4
142.07726	2.1
143.08566	6.1
145.04985	6.0
145.10164	9.2
147.08105	3.2
147.11694	30.8
149.09637	1.9
149.13268	1.9
151.11200	2.1
156.09377	2.7
157.10153	10.8
159.02937	8.5
159.11702	7.7
161.09607	3.8
161.13278	8.4
163.11240	1.6
165.09088	4.1
165.12791	15.1
170.10904	2.0
171.11652	6.7
172.12155	1.4
173.13275	5.6
175.11224	5.6
175.14828	5.1
177.12813	2.6
179.14323	10.4
185.13303	10.8
187.14957	1.6
189.12759	3.3
190.84523	1.4
199.14803	11.8
201.16385	14.6
203.14359	4.8
208.49231	1.6
217.15981	3.1
231.05090	3.9
241.19676	7.4
244.18190	1.5
259.20596	100.0
277.21683	8.7
525.27173	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	525.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.8
55.01871	2.9
55.05301	1.1
55.05516	11.6
57.03424	5.1
57.07069	6.0
61.02919	2.5
67.05513	20.7
68.12477	1.2
68.99803	2.9
69.03435	34.8
69.07084	7.4
69.35490	11.3
71.04981	3.9
73.02913	5.1
79.05503	7.4
81.03426	26.5
81.07069	19.4
83.04992	6.1
83.08616	2.9
84.25448	1.4
85.02911	30.8
85.06550	72.0
87.00828	13.7
91.05492	8.4
93.07054	12.2
95.04977	5.9
95.08614	23.5
97.02901	14.9
97.06536	1.3
97.10167	1.5
99.04466	9.5
99.08101	84.4
105.01888	9.0
105.07041	26.0
107.08621	10.5
109.02885	20.7
109.06533	13.8
109.10165	9.2
111.08067	2.3
117.07051	3.3
119.07780	2.7
119.08583	29.6
119.09443	1.5
121.06541	2.8
121.10158	31.3
123.08067	8.6
123.11707	5.8
125.05978	3.5
125.09652	14.8
127.03925	28.3
129.01845	3.5
131.08551	5.9
133.06531	1.7
133.10132	16.0
135.11668	5.0
137.09662	6.9
137.13263	1.8
139.11172	7.5
142.07716	1.8
143.08559	6.2
145.04958	6.6
145.10124	10.6
147.02965	1.5
147.08086	2.1
147.11700	36.8
149.09622	3.5
149.13298	2.0
151.11139	3.3
155.08415	1.5
156.09335	2.4
157.10126	10.3
159.02884	8.3
159.11685	9.9
161.09668	3.1
161.13240	7.2
165.09129	4.0
165.12790	25.3
170.10927	1.9
171.11679	9.0
173.13283	4.5
175.11234	5.5
175.14827	5.1
177.12698	3.0
179.14333	16.3
184.12473	1.6
185.13264	13.2
187.14836	1.5
189.12747	2.6
189.16440	2.1
190.13573	2.3
191.14250	1.8
199.14876	13.0
201.16374	13.1
203.14304	7.7
207.14000	1.4
217.15858	4.0
218.16640	1.3
231.05026	3.8
241.19487	9.0
259.20593	100.0
260.20880	2.0
261.22061	1.7
277.21625	11.0
334.31952	1.2
365.58514	1.4
525.27032	30.8
549.98273	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
69.03425	1.1
71.55744	0.8
82.87550	0.5
85.02910	2.3
91.05465	0.8
94.06583	1.5
96.08134	0.9
97.02903	0.9
104.04999	1.0
106.06544	1.0
107.05013	0.6
117.05822	0.5
118.06542	0.7
120.08107	0.9
121.10075	0.7
122.06013	0.6
122.09669	0.9
124.07598	4.7
127.03892	0.6
136.07614	3.1
147.04453	0.8
148.07576	1.5
150.05469	1.1
152.07054	0.5
154.08624	1.0
155.16757	0.6
164.07111	5.0
166.08655	13.8
168.06572	73.8
169.06818	0.6
180.10233	0.6
182.08119	0.7
192.06577	8.7
196.09702	5.3
206.08167	1.0
208.09679	3.4
210.07629	100.0
211.07910	1.5
298.12854	1.2
316.13934	1.0
328.13739	1.3
345.14572	3.4
363.11841	0.7
363.15558	4.6
387.15439	2.3
405.16498	2.4
471.18665	0.6
507.19815	1.5
525.20874	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.27
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33439	1.5
53.03939	7.9
55.01870	4.8
55.05519	11.7
55.92853	1.6
57.03429	5.9
57.07072	6.3
60.89040	1.7
64.48843	1.6
67.05508	20.6
68.39987	1.7
68.99784	3.8
69.03429	38.7
69.07078	8.3
69.92341	9.1
71.04995	4.9
73.02915	4.7
79.05499	8.0
81.03423	26.0
81.07066	24.2
83.01304	2.8
83.04990	6.6
83.08616	5.3
85.02914	25.4
85.06546	66.7
87.00850	12.6
91.05473	9.0
93.07053	18.6
95.04967	7.9
95.08611	28.8
97.02916	12.0
97.06509	3.8
97.10166	4.3
98.97578	2.0
99.04463	9.7
99.08097	85.2
105.01865	6.5
105.02502	1.8
105.07037	27.6
107.04936	2.1
107.08587	17.8
109.02888	20.3
109.06534	13.7
109.10175	14.3
111.08083	4.7
117.01840	2.6
117.06985	3.5
119.04943	1.9
119.08597	34.1
121.06479	3.6
121.10154	38.1
123.08056	9.9
123.11732	8.7
125.06018	4.8
125.09631	13.1
127.03929	28.4
129.01790	2.2
129.07028	2.7
131.08600	5.0
133.10130	16.5
135.08060	4.9
135.11696	6.2
137.06053	1.9
137.09586	9.6
137.13263	2.4
139.11179	7.5
142.07780	3.4
143.08557	6.7
145.04968	10.1
145.10095	10.2
147.04402	2.4
147.08060	2.4
147.11716	30.2
149.09677	3.1
149.13214	2.3
151.11171	4.3
157.10085	8.5
159.02887	11.1
159.11723	9.4
161.09639	3.4
161.13255	9.2
163.11209	2.5
165.09157	5.5
165.12767	18.4
167.06999	2.5
170.10928	2.0
171.11717	8.6
173.13268	5.9
175.11253	4.4
175.14861	5.7
177.09096	2.0
177.12729	4.3
177.16341	2.1
179.14362	11.8
181.05019	2.3
183.11795	2.4
185.13280	12.9
187.14795	2.0
189.12724	2.1
189.16302	2.4
190.13553	1.8
191.14291	2.2
197.04462	16.8
199.14822	9.6
201.16339	12.3
203.14352	4.6
213.03987	2.7
215.17979	2.4
217.15851	2.9
231.05060	4.7
231.49939	1.7
241.19543	7.8
248.37563	1.6
259.20596	100.0
277.21509	7.2
489.28369	4.1
525.27087	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	525.172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88212	0.8
60.31451	0.8
69.07072	1.8
70.06311	0.7
70.06603	9.1
71.05025	3.6
71.06910	1.2
72.43649	0.9
76.02234	1.0
77.08190	0.9
85.02879	2.3
86.09718	7.5
87.10037	1.4
92.31466	0.8
97.57085	1.0
99.39243	0.8
108.08120	1.1
109.92768	0.9
111.04445	0.8
111.43639	0.8
115.80793	0.8
117.34926	1.0
133.94022	0.9
134.05984	1.2
139.03720	0.9
147.04343	1.0
155.07179	0.8
156.06558	1.5
162.05505	3.9
163.03943	1.0
168.06509	2.4
178.05019	1.5
179.04691	1.0
183.14948	2.8
184.06078	2.5
187.05089	0.9
197.10600	0.9
198.09280	0.9
199.08665	2.1
199.95990	1.0
210.07631	3.7
211.14430	0.8
220.97093	0.8
225.06586	1.4
225.10240	2.3
226.08678	1.3
227.08075	2.3
227.11732	1.3
244.09731	1.2
253.09727	3.6
254.08153	3.1
255.07719	2.6
255.11357	2.9
271.10770	4.4
272.09109	1.1
281.09207	2.5
286.17657	1.3
299.10251	20.2
300.08725	6.9
301.11850	1.8
309.08588	1.5
317.11331	11.7
327.09772	7.2
328.08096	7.8
345.10846	23.5
363.11877	100.0
525.16589	0.9
548.00897	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.197
Annotation	Poskeanolide
Peak:m/z	Relative Intensity
50.98412	1.5
52.62873	1.4
55.01881	1.5
59.15085	1.7
64.91951	1.6
67.05505	1.9
69.03438	2.5
71.57116	2.0
79.05479	2.3
81.03440	8.2
81.07054	2.5
85.02894	4.4
85.06567	8.6
91.05489	2.6
93.07040	3.6
95.04959	2.3
97.02859	2.9
105.07026	3.2
107.08588	2.2
109.02879	3.9
111.04455	9.5
119.08591	3.7
121.10161	3.7
123.08060	2.1
127.03915	5.3
131.08565	5.2
137.02353	100.0
137.03397	5.8
145.10150	2.0
147.04398	3.1
147.08078	2.7
149.09579	3.9
151.07581	1.9
155.03395	12.3
167.10677	3.0
172.06490	1.7
191.10611	4.1
209.11673	5.7
227.12741	4.8
280.96646	1.7
281.06671	3.0
299.07697	11.6
489.18057	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	525.172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95320	0.3
56.75903	0.4
69.03422	0.4
69.34293	0.9
69.34709	2.5
70.06604	2.5
71.04990	1.0
78.45066	0.3
85.02911	0.8
86.09710	2.5
95.05001	0.5
108.08153	0.4
109.02879	0.4
110.06063	0.6
111.04401	0.5
113.05985	0.6
115.61476	0.3
144.08110	0.4
148.61714	0.4
152.03439	0.4
156.06593	1.1
157.05011	0.4
162.05501	5.0
168.06612	0.7
171.09195	0.9
172.07570	0.6
178.05005	1.5
180.08008	0.5
182.09700	0.5
183.06891	0.4
183.15013	0.6
184.06059	2.3
184.07556	0.8
185.10812	0.6
186.09164	0.6
187.05016	0.5
197.07127	1.1
197.10802	0.5
198.09157	1.3
199.08728	1.8
200.07034	1.2
200.10834	0.5
205.06155	0.6
210.09256	0.8
211.14366	0.5
212.07216	0.6
225.06598	1.2
225.10136	1.8
226.04996	0.9
226.08656	1.6
227.08139	3.2
227.11815	1.6
228.06665	0.7
228.10205	0.7
230.08136	0.7
238.08780	0.5
243.07690	1.2
243.11282	1.0
244.06152	0.9
244.09784	1.3
246.07771	0.4
253.09741	3.4
254.08162	3.8
254.10529	0.5
255.07687	3.0
255.11230	3.5
256.09811	0.6
271.10779	5.9
272.05551	1.2
272.09183	0.9
273.12393	0.9
281.09216	1.9
282.07672	1.1
283.11484	0.4
284.07932	0.6
286.17682	0.7
290.06384	0.6
299.10275	20.2
300.08612	6.7
301.11859	1.8
317.11304	11.5
318.09558	0.4
327.09763	7.0
328.08154	8.4
345.10815	22.6
363.11868	100.0
364.12186	0.8
425.73669	0.4
525.16376	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.8
55.01860	5.9
56.64785	1.7
57.03447	2.2
58.19396	1.4
61.02931	1.8
68.99793	5.6
69.03437	17.1
69.82742	6.6
69.83162	3.5
71.01353	9.0
71.04993	2.1
73.02896	4.2
73.84095	1.5
81.03421	21.6
85.02911	28.5
87.00861	8.0
88.89310	1.4
95.01347	5.8
95.04973	1.8
97.02899	14.1
99.04473	5.5
103.05554	1.6
105.01872	3.9
109.02882	19.4
111.04478	2.5
115.05449	7.4
117.01840	1.6
121.02888	3.7
123.04427	2.8
127.03938	24.0
129.07021	3.4
130.28807	1.5
131.04964	2.8
135.04427	6.4
137.02365	3.4
139.03891	4.0
139.05437	3.3
141.06996	3.1
143.04929	12.9
145.05003	7.4
145.06549	3.3
147.04425	14.8
149.05969	4.3
157.06511	6.2
159.02924	5.1
159.04456	1.8
161.05988	32.1
163.03928	21.2
163.07613	1.5
165.05490	4.7
167.04976	2.5
169.06506	1.9
171.04485	4.7
173.02383	6.6
173.06046	4.9
175.03883	6.3
175.07571	6.0
177.05450	2.1
185.05927	11.6
187.03896	9.3
187.07515	1.7
189.03918	3.0
189.05486	25.5
191.03442	2.3
191.07039	3.7
193.05005	5.2
195.04433	5.6
197.05968	3.1
199.03934	2.6
201.05611	1.6
203.07089	6.2
205.04968	5.5
205.08627	2.5
207.06541	8.5
213.03773	2.0
213.05540	23.9
215.03387	5.2
215.07024	9.9
217.04971	27.6
223.03949	4.7
229.05038	1.9
231.04773	2.4
231.06599	29.0
233.04523	3.7
235.06044	4.4
241.04982	33.7
249.07581	1.9
255.06549	2.1
259.06046	100.0
260.06409	2.1
277.07108	28.2
295.08008	2.5
299.10233	2.2
345.10901	2.2
363.12027	8.7
507.11203	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.0118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05135	0.9
56.96561	3.8
57.02147	0.8
58.08723	0.7
59.38087	0.8
67.00019	0.7
71.55438	0.9
71.95203	0.9
73.40321	0.7
98.97589	53.0
116.98633	42.1
122.97845	0.8
134.99670	22.7
140.00272	1.2
152.32487	0.9
153.00784	2.7
175.45123	0.7
187.78069	0.8
216.98833	1.3
219.01982	1.1
232.96718	1.7
234.99998	8.2
240.98633	7.7
253.01202	1.5
256.96686	1.1
258.99844	75.4
260.00098	2.8
261.03137	2.1
263.03033	1.1
274.97900	4.6
275.98068	1.0
277.00882	81.3
278.01141	2.7
279.01028	1.8
282.01447	1.8
282.99957	21.7
284.00009	1.7
291.02316	1.2
292.98953	2.5
295.02039	1.3
298.97849	3.5
300.02582	2.7
300.97595	1.9
301.01031	32.1
302.01248	3.1
303.00986	2.4
316.99026	8.5
317.99005	2.0
319.02075	1.7
335.00192	1.1
359.00150	14.3
360.00198	1.3
364.99146	3.8
376.97632	1.5
382.99954	22.0
401.01089	100.0
402.01334	7.7
415.02582	2.0
419.02304	9.1
424.02695	4.8
425.01511	3.6
440.99423	1.3
443.02280	3.8
460.00269	1.1
462.69260	1.0
500.98215	1.6
507.00284	5.0
525.01294	62.6
526.01459	6.5
542.99243	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	523.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12133	1.5
53.03954	3.6
54.74371	2.0
55.01866	2.6
55.05516	20.5
57.03436	8.7
57.07082	43.8
60.45395	1.5
61.02046	1.6
67.05508	29.4
69.03410	3.2
69.07072	8.8
71.04986	6.3
71.08640	30.3
79.05505	22.2
81.02979	3.0
81.03426	42.3
81.07066	47.0
83.04997	6.4
83.08627	29.5
85.02917	22.9
85.06531	1.8
85.10192	15.1
89.49104	1.9
91.05489	21.5
93.07062	11.5
95.04972	19.2
95.08619	34.2
97.06529	2.9
97.10180	8.5
98.21513	3.7
105.07027	16.3
107.04975	3.6
107.08598	5.5
109.06526	3.2
109.10168	17.2
111.04445	2.1
111.08089	8.6
113.06040	2.7
117.07031	3.1
119.08607	14.5
121.10133	8.6
123.11723	6.6
129.07033	7.6
131.08592	8.5
133.10153	7.1
137.09619	2.4
147.11676	8.0
149.09660	5.7
150.44217	1.7
151.14842	2.2
157.10109	11.4
165.12798	2.5
169.45801	2.0
175.11230	13.8
191.93121	2.0
192.91510	1.6
193.12267	43.4
211.13318	49.6
211.15260	3.3
239.23772	6.8
267.15988	6.1
313.27414	6.9
362.27509	2.3
505.38968	5.7
523.40009	100.0
524.40125	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	524.3715
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05508	0.5
56.05042	1.3
57.03444	0.6
57.07083	2.3
58.06603	1.1
59.07396	0.5
60.08167	17.6
61.80449	0.2
67.05502	0.9
69.07065	0.6
70.06595	0.3
70.50368	0.2
71.07379	7.1
71.08633	2.0
71.15524	0.5
71.15902	0.2
79.05483	0.3
81.07038	1.4
82.60923	0.2
85.10181	1.0
86.09709	50.5
87.90314	0.3
95.08618	1.2
97.10188	0.4
98.98464	4.4
104.10747	100.0
105.11088	0.5
109.10174	0.7
123.11705	0.2
124.93007	0.3
125.00008	28.6
129.44839	0.3
147.04179	0.3
163.01544	0.9
181.02640	0.4
184.07346	95.3
185.07724	0.3
188.25760	0.3
220.60788	0.3
258.10995	1.4
341.30597	1.3
447.28610	0.4
506.36044	8.2
507.37143	0.3
524.37140	25.5
525.37659	0.3
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
53.03936	3.2
55.01891	1.4
55.05511	15.9
57.03439	7.6
57.07077	40.0
67.05505	29.0
69.03413	3.4
69.07068	14.2
69.36227	9.9
71.04996	3.7
71.08633	29.0
79.05496	14.7
81.03422	40.8
81.07059	33.0
83.04984	7.2
83.08621	25.7
85.02910	22.1
85.10184	17.7
91.05477	18.2
93.07053	10.5
95.04972	18.7
95.08604	31.6
97.02891	1.3
97.06549	2.4
97.10171	7.3
98.49843	1.3
99.08080	1.7
105.07030	15.1
106.85403	1.1
107.04982	4.2
107.08633	5.3
109.06530	2.0
109.10147	13.8
111.04460	1.0
111.08096	8.2
113.06022	2.5
119.08582	14.2
121.06488	2.1
121.10156	6.5
123.08071	2.0
123.11697	6.6
129.07034	6.9
131.08572	6.9
133.10109	6.6
137.09613	2.1
137.13274	2.2
142.07822	2.6
142.68942	1.1
147.08052	2.4
147.11697	9.3
149.09645	5.3
157.10136	8.7
159.50261	1.1
164.44145	1.1
165.12837	3.1
173.73404	1.1
175.11189	10.9
193.12251	45.9
194.47423	1.0
211.13303	47.4
239.23727	7.2
267.15872	9.4
273.94241	1.1
313.27368	10.1
439.68314	1.4
477.32700	1.2
505.39005	3.7
523.40045	100.0
537.91498	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.5
55.01869	1.5
55.05515	13.5
57.03446	6.1
57.07083	39.9
57.95399	1.1
65.03956	2.0
67.05168	2.0
67.05511	28.4
69.03439	2.7
69.07070	10.8
70.17419	5.1
71.04987	3.0
71.08638	26.2
74.76239	1.1
75.80045	1.0
79.05495	13.7
80.33181	1.2
81.03424	37.4
81.07064	33.5
83.05021	7.0
83.08627	23.8
85.02913	18.2
85.06538	1.4
85.10189	13.9
91.05486	21.4
93.07069	11.2
95.04979	17.8
95.08613	33.4
97.02905	1.2
97.06520	2.1
97.10184	9.1
99.08081	2.2
105.07037	13.1
107.04948	1.5
107.08608	3.5
109.06512	3.3
109.10160	12.4
111.04433	1.4
111.08092	7.1
119.08594	10.8
121.06503	1.3
121.10159	6.3
123.08108	1.7
123.11720	5.8
125.13356	1.2
128.06192	1.5
129.07019	6.5
131.08589	5.5
133.06512	2.6
133.10136	5.0
135.45035	1.3
137.09508	1.2
137.13280	1.9
142.07776	2.8
147.11705	10.1
149.09648	2.7
157.10146	7.7
165.12836	1.7
165.16406	1.7
175.11203	11.3
187.05296	1.1
193.12267	43.2
211.13312	49.7
239.23723	7.3
267.15976	5.7
267.37589	1.3
285.16989	1.3
295.08984	1.3
313.27423	7.7
393.34454	1.2
479.64905	1.2
505.38782	4.5
523.39972	100.0
524.40320	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	7.4
55.05514	59.6
57.03421	19.0
57.07055	17.6
67.05511	80.2
69.03423	10.3
69.07063	28.5
69.26910	24.3
69.27335	39.0
79.05498	56.3
81.07060	100.0
83.08624	45.2
86.09676	8.0
91.05493	39.7
93.07059	77.4
95.04954	6.5
95.08617	54.8
95.39944	5.8
95.82524	6.6
97.10185	71.3
98.21444	12.4
104.10786	10.1
105.07033	20.5
107.08602	73.6
109.10175	34.2
117.07008	16.9
117.23771	6.0
119.08572	16.7
121.10144	23.0
123.11709	10.2
125.09637	68.6
126.17140	5.7
131.08575	11.4
133.10121	17.8
133.54626	6.2
135.11662	23.1
137.00877	6.5
145.10175	12.2
147.04402	26.8
147.11688	7.0
149.13312	12.6
154.94139	7.7
159.11653	9.5
171.10168	6.8
184.07349	13.9
189.11185	59.0
210.97675	19.7
227.12810	76.6
240.70081	6.7
243.21025	9.2
245.13838	74.1
261.22131	71.0
270.93091	6.5
307.69058	7.0
313.27252	7.8
315.97522	5.8
317.24753	13.8
335.25861	60.7
420.89160	8.2
505.35394	35.6
523.23517	9.8
523.37543	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	523.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	7.4
55.05514	59.6
57.03421	19.0
57.07055	17.6
67.05511	80.2
69.03423	10.3
69.07063	28.5
69.26910	24.3
69.27335	39.0
79.05498	56.3
81.07060	100.0
83.08624	45.2
86.09676	8.0
91.05493	39.7
93.07059	77.4
95.04954	6.5
95.08617	54.8
95.39944	5.8
95.82524	6.6
97.10185	71.3
98.21444	12.4
104.10786	10.1
105.07033	20.5
107.08602	73.6
109.10175	34.2
117.07008	16.9
117.23771	6.0
119.08572	16.7
121.10144	23.0
123.11709	10.2
125.09637	68.6
126.17140	5.7
131.08575	11.4
133.10121	17.8
133.54626	6.2
135.11662	23.1
137.00877	6.5
145.10175	12.2
147.04402	26.8
147.11688	7.0
149.13312	12.6
154.94139	7.7
159.11653	9.5
171.10168	6.8
184.07349	13.9
189.11185	59.0
210.97675	19.7
227.12810	76.6
240.70081	6.7
243.21025	9.2
245.13838	74.1
261.22131	71.0
270.93091	6.5
307.69058	7.0
313.27252	7.8
315.97522	5.8
317.24753	13.8
335.25861	60.7
420.89160	8.2
505.35394	35.6
523.23517	9.8
523.37543	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	523.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	8.6
55.05517	33.1
57.03427	7.6
57.07070	8.2
59.94733	3.6
61.02924	22.3
67.05514	56.3
69.03431	16.9
69.07073	53.0
71.05004	8.4
73.02923	10.4
79.05501	31.0
81.03413	10.5
81.07066	100.0
83.05000	9.4
83.08606	18.3
85.02908	30.8
85.06555	11.0
87.04492	3.7
91.03970	15.9
91.05489	37.5
93.05508	5.5
93.07056	66.1
95.04955	13.1
95.08618	84.0
97.02895	20.7
97.06552	8.0
97.10197	27.6
99.04492	5.6
105.07044	62.3
107.08594	57.4
109.02917	5.2
109.06517	16.1
109.10164	82.4
111.08076	6.6
113.09644	5.5
115.05486	5.9
115.14148	3.5
117.07030	21.1
119.08604	62.0
121.06524	6.8
121.10164	41.3
123.04449	3.9
123.08099	14.6
123.11713	16.2
125.05997	16.0
125.09658	6.0
127.03933	16.6
127.07609	5.1
129.07007	12.6
130.07785	8.4
131.08568	41.7
133.10150	43.6
135.08083	15.6
135.11729	23.4
137.05966	6.3
137.09615	13.2
139.07532	7.0
139.11169	5.8
142.07813	12.6
143.08609	17.6
144.09335	6.2
145.10129	62.8
147.08116	7.7
147.11700	25.0
149.09639	8.0
149.13303	13.3
151.07585	11.2
155.08595	5.0
157.10153	44.6
158.10966	5.6
159.11691	47.5
161.09596	9.8
161.13307	17.1
163.11232	4.8
163.14777	6.6
165.05562	4.3
165.09137	17.4
167.06995	6.6
169.08588	4.6
171.11676	23.1
173.09709	3.8
173.13257	21.3
175.11275	9.5
175.14835	10.8
176.22720	3.5
177.09186	7.5
179.06906	4.3
181.04962	12.3
183.11667	3.8
185.13293	15.9
187.09659	7.1
187.11182	7.0
187.14861	12.2
189.12727	6.7
189.16377	6.1
191.10832	5.0
199.14928	22.2
201.12790	7.6
201.16434	23.4
205.12410	5.4
207.13820	6.3
211.14828	4.3
213.16344	19.8
217.15872	4.4
227.17955	7.1
239.23676	4.5
243.17407	5.5
257.19034	13.4
269.22653	51.8
275.20056	51.5
303.19357	4.6
327.80093	4.6
361.27390	5.8
397.27441	4.4
415.28363	10.4
425.26819	12.1
441.30136	5.5
443.28085	7.3
487.30695	7.1
505.28635	9.1
523.29565	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	523.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	12.4
55.01878	13.1
55.05511	26.4
57.03193	2.6
57.03443	35.0
57.07080	6.1
59.92048	2.4
61.02643	4.2
61.02930	65.1
64.53945	2.3
65.03933	6.2
67.05508	83.3
69.03428	38.9
69.07066	24.5
69.78703	16.0
71.01354	8.1
71.04992	6.8
71.08657	2.6
73.02927	33.1
79.05495	73.2
81.03426	28.0
81.07062	72.3
83.04968	11.1
83.08617	9.6
85.02420	5.6
85.02906	69.8
85.06544	7.5
85.10191	4.0
87.04471	3.8
91.03964	37.0
91.05482	100.0
93.07056	74.3
95.04974	17.4
95.08041	4.8
95.08613	59.8
97.02896	51.1
97.06537	11.6
97.10204	3.4
99.04450	10.5
101.02383	14.8
103.03961	16.1
105.07039	72.2
107.04961	3.7
107.08608	34.7
109.02864	8.5
109.06519	7.3
109.10159	16.4
111.04471	4.3
111.08054	3.4
113.09574	2.8
115.03928	7.8
117.05536	6.0
117.07008	33.6
119.07791	4.5
119.08589	56.9
121.06474	4.1
121.10151	29.5
123.08080	6.8
123.11694	7.8
127.03938	22.2
128.06224	6.5
129.05513	18.9
129.07002	23.6
131.08582	37.7
133.10132	37.5
135.08051	9.7
135.11671	15.5
137.09616	3.7
141.07008	4.6
142.07813	4.9
143.08565	16.0
145.04956	8.9
145.10139	20.4
147.08043	7.3
147.11684	20.4
149.09613	4.8
155.08588	4.5
157.10179	14.0
159.11684	11.0
161.09641	9.9
161.13232	15.8
163.11192	4.1
163.14969	4.1
169.10054	5.9
171.11725	14.4
171.12968	2.6
173.13297	6.8
175.11180	10.0
175.14777	6.8
177.12793	3.8
177.16405	4.5
181.10222	4.8
185.09630	3.9
185.13297	10.9
187.11401	2.6
187.14789	8.8
189.12724	5.5
189.16385	10.1
197.13434	2.7
199.14865	6.5
201.16331	4.5
203.17929	20.6
213.16403	4.8
215.17966	3.2
217.15791	2.8
227.18077	4.1
239.14507	2.9
241.19391	3.2
243.21007	3.1
265.19727	2.7
269.22580	16.4
285.22141	3.0
287.23682	9.2
361.27441	29.6
377.24600	3.9
413.27045	3.3
432.67892	2.8
448.54877	3.5
523.33374	15.0
549.04852	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	12.2
55.01855	11.6
55.05512	12.7
57.03448	31.2
57.57273	5.7
58.06590	14.1
61.02935	87.1
65.03947	11.9
67.05511	100.0
69.03440	43.4
69.07062	15.0
71.01357	10.2
71.56606	6.8
73.02926	39.2
75.04472	7.9
79.05502	70.9
81.03419	25.8
81.07067	69.7
83.04980	6.1
83.08604	8.2
85.02911	69.4
87.04473	7.9
91.03976	47.0
91.05486	73.0
93.07047	64.7
95.04984	12.8
95.08628	64.2
97.02892	59.9
97.06507	16.3
99.04463	7.9
101.02390	12.6
103.03917	11.9
105.07031	35.5
107.08590	36.8
109.02866	9.4
109.10155	22.4
117.07030	17.6
119.08627	31.2
121.10176	39.0
123.11708	9.1
127.03909	24.4
129.05495	13.3
129.07047	7.2
131.08563	27.5
133.10130	20.5
135.08112	6.0
135.11682	24.1
145.04990	10.2
145.10155	21.6
147.11668	16.4
149.13261	9.4
159.11713	16.2
160.83279	5.9
161.13301	9.6
171.11703	7.4
173.13240	10.6
185.13330	8.0
199.14716	6.1
203.18005	10.5
210.59200	6.2
230.81676	6.0
236.14914	35.0
237.15277	11.5
253.78505	6.4
269.22763	8.0
361.27469	48.4
505.37418	7.2
523.38617	39.7
532.91370	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	523.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.2
55.01858	1.9
55.05510	4.7
65.03926	1.3
67.05505	9.7
69.03424	1.6
69.07069	3.3
69.55338	3.3
71.04980	1.3
79.05489	3.5
81.07059	7.2
83.01347	9.4
83.04967	1.0
83.08601	1.2
85.02903	1.2
85.06539	1.5
87.04439	0.5
91.05479	3.3
93.07057	5.5
95.04971	2.5
95.08613	15.5
97.02900	1.1
97.06525	1.4
97.10177	2.1
99.04459	0.6
105.07025	2.9
107.04959	1.4
107.08607	4.9
109.02873	0.6
109.06537	1.8
109.09451	0.8
109.10157	8.2
111.04459	0.5
111.08092	1.4
113.09658	2.3
117.07026	0.6
119.04947	1.6
119.08583	2.3
121.06569	0.6
121.10147	2.9
123.04406	0.5
123.08078	1.7
123.11721	1.0
125.09629	1.9
127.03954	1.0
129.01840	3.1
129.06998	0.6
131.08569	1.1
133.06532	0.7
133.10112	2.1
135.04427	6.4
135.08087	1.7
135.11644	1.0
137.05960	1.0
137.09613	2.5
139.07500	0.7
141.09108	0.9
145.10103	2.2
147.08055	1.5
147.11676	1.5
149.09570	0.6
151.07574	1.8
153.05473	3.3
157.10159	1.5
159.02966	0.5
159.11707	1.6
161.09572	0.9
161.13237	0.7
163.03931	1.6
163.07526	1.1
165.09105	2.7
173.13293	0.6
175.07593	1.1
175.11258	0.7
181.04959	17.5
183.06548	1.6
187.14877	0.9
189.12820	0.5
195.06537	16.2
199.04182	1.2
199.06021	23.2
199.14864	0.8
207.06487	2.6
209.08099	7.9
209.09921	0.8
221.08084	10.6
222.07680	1.0
223.09673	7.8
235.09709	4.4
237.11186	4.5
247.09702	0.7
249.11253	5.0
251.12801	1.1
257.19025	1.2
257.54214	0.5
259.09656	0.6
261.11212	0.8
263.12854	2.0
273.11386	0.7
287.16174	0.6
289.14325	1.3
291.15927	4.5
293.17538	0.5
303.15854	1.1
305.17474	14.7
307.18967	2.7
315.16025	3.1
315.19223	0.6
317.17041	1.0
318.52695	0.6
319.19171	2.2
333.16962	4.1
354.82480	0.5
396.43808	0.5
423.25348	0.7
441.26251	1.1
459.27310	2.4
477.28455	4.0
487.27081	1.8
505.27911	13.9
523.29028	100.0
524.29510	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2905
Annotation	Scutenisin
Peak:m/z	Relative Intensity
53.03942	3.4
55.01875	0.8
55.05516	4.4
57.30511	0.6
65.03918	0.7
67.05170	0.7
67.05508	9.9
69.03429	2.3
69.07075	3.4
70.90731	1.8
71.04984	1.9
79.05489	4.1
81.03438	0.7
81.07057	7.4
83.01340	8.9
83.08598	1.0
85.02898	2.5
85.06530	1.7
91.05481	3.5
93.07046	4.3
95.04974	2.5
95.08611	19.2
97.02891	1.1
97.06530	1.2
97.10168	1.2
99.04456	1.1
99.08107	0.6
105.07033	2.4
107.04951	1.2
107.08600	3.9
109.02872	0.7
109.06538	1.9
109.10158	8.3
111.08084	1.9
113.09674	3.0
117.07034	1.1
119.04939	1.1
119.08592	2.9
121.06522	0.8
121.10143	2.6
123.08081	2.7
123.11745	1.0
125.09647	1.7
129.01823	3.5
129.09103	1.1
131.08601	1.2
133.06451	0.7
133.10143	1.8
135.04414	7.2
135.08083	1.7
135.11665	0.8
137.02356	1.5
137.05998	1.6
137.09650	2.5
141.09122	1.5
145.10168	1.5
147.07957	1.1
147.11702	1.3
149.09691	0.6
151.07555	1.6
153.05482	4.0
159.08092	0.8
159.11667	1.7
161.09601	0.8
161.13240	0.6
163.03943	1.2
163.11250	0.8
165.09125	11.5
167.07117	1.1
169.04984	0.7
169.10110	0.7
175.07475	0.8
181.04971	17.3
183.06543	1.2
187.11131	0.9
189.09190	0.7
195.06538	17.6
196.07062	0.6
199.06035	25.9
207.06526	2.2
209.08118	7.0
215.07051	1.7
215.14418	0.8
217.08595	0.7
221.08104	8.8
223.09637	8.9
235.09631	3.8
237.11249	4.4
247.09691	0.7
249.11234	5.2
251.12950	1.1
257.18958	1.2
263.12817	1.9
275.19885	0.8
289.14420	0.7
291.15970	4.4
303.15912	1.5
305.17496	11.7
307.19150	2.8
315.15918	2.5
317.17828	0.7
319.19214	3.2
333.16977	5.0
423.25519	0.7
450.47830	0.7
459.27304	4.1
477.28467	4.5
479.64227	0.7
487.26859	2.8
505.27994	18.2
523.29053	100.0
524.29315	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	523.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10546	3.4
51.47175	3.6
53.03954	10.1
55.01871	13.3
55.05515	23.6
57.03430	7.7
57.07077	4.7
61.02926	5.2
65.03951	4.4
67.05515	32.3
68.99814	3.7
69.03441	45.8
69.07076	30.1
70.09103	5.2
70.09471	13.2
71.04996	17.7
72.39851	3.2
72.51560	3.4
73.02928	4.1
79.05502	29.6
81.03425	39.2
81.07066	55.6
83.04972	14.6
83.08630	17.9
85.02436	3.5
85.02918	62.1
85.06546	14.3
87.00835	31.6
91.05495	35.6
93.07060	35.8
95.04977	19.3
95.08620	77.5
95.84721	3.0
97.02917	25.8
97.06541	18.0
97.10200	15.6
99.04464	51.0
100.11240	3.7
103.05487	6.5
105.01871	18.9
105.07038	49.1
107.04969	6.9
107.08604	43.6
109.02882	25.2
109.06544	47.8
109.10169	48.8
111.00811	3.3
111.08084	10.0
111.11714	5.6
115.05443	5.9
117.01883	4.0
117.07004	23.5
119.04898	4.7
119.08598	51.0
121.02844	4.0
121.06546	6.3
121.10160	57.6
123.08060	19.9
123.11736	17.5
125.05978	8.2
125.09628	4.8
127.03933	45.6
128.06178	4.8
129.01804	3.3
129.07018	8.4
131.08580	28.3
133.06535	5.5
133.10155	37.3
135.08069	49.0
135.11694	29.2
137.06062	5.9
137.09673	17.3
139.07576	6.4
141.07036	5.1
142.07755	8.0
143.08595	22.4
144.09377	6.1
145.04984	14.9
145.06473	5.3
145.10144	30.9
147.04407	14.9
147.08072	9.4
147.11696	38.8
149.06007	6.2
149.09648	17.7
149.13246	6.0
151.07553	8.1
153.09091	3.4
155.08537	7.2
155.10678	6.0
156.09341	8.0
157.10143	28.6
158.10918	7.7
159.02910	16.7
159.08076	9.2
159.11703	28.9
161.09624	15.9
161.13269	6.2
163.11191	22.7
165.09140	11.3
167.07156	4.1
167.08594	4.0
169.10115	6.2
171.11713	14.3
173.09657	9.2
173.13283	27.5
175.07483	3.8
175.11221	18.7
175.14845	18.0
177.09073	4.7
177.12787	17.7
181.04912	3.7
183.11754	10.9
185.13269	7.7
187.11162	11.6
187.14865	5.7
189.12813	8.7
195.33655	3.4
197.09508	3.5
197.13283	14.6
199.14879	21.8
201.03928	4.0
201.12787	23.8
203.03430	57.4
211.14813	3.6
213.16483	5.8
215.14326	21.2
215.17853	4.2
217.12231	3.5
217.15894	7.7
219.13844	5.9
231.04996	9.0
233.15385	4.9
239.11102	3.8
239.17961	11.4
239.23711	10.8
257.16217	4.7
257.19040	100.0
257.24695	8.4
275.17346	3.9
275.20108	22.2
279.15784	7.6
285.18445	3.7
287.19925	4.0
293.21024	5.0
321.16846	3.8
359.64423	3.9
369.17041	3.7
397.16614	10.3
425.26752	5.1
459.30634	4.3
505.26819	3.5
523.18829	4.8
523.26477	16.1
523.40503	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	522.3556
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
51.17296	0.4
55.05513	1.9
56.05032	1.3
57.03440	0.5
57.07075	0.8
58.06605	1.4
58.90134	0.3
60.08169	17.2
61.28430	0.3
62.36161	0.3
67.05509	1.6
69.07082	2.4
70.63222	1.1
71.07381	6.4
71.08629	0.4
79.05508	0.9
81.07067	2.2
83.08614	1.6
86.09711	49.2
93.07056	0.9
94.90817	0.4
95.08614	1.5
97.10175	0.7
98.98461	4.1
104.10749	100.0
105.11058	0.5
107.08601	0.6
121.10156	0.6
125.00013	25.9
137.57397	0.4
163.01601	0.5
184.07352	96.0
185.07712	0.4
185.37531	0.4
212.67485	0.5
258.11099	0.8
339.28879	1.4
498.87845	0.4
504.34512	9.3
522.35553	28.5
523.36121	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.384
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10603	1.6
53.03938	4.6
55.01859	5.1
55.05514	8.9
55.80613	1.7
57.03178	1.8
57.03441	17.9
57.07078	43.6
65.03940	2.3
67.05175	3.0
67.05511	41.5
69.07069	12.9
71.04971	2.2
71.08636	31.4
71.48411	2.4
73.04750	1.6
77.03921	1.9
79.05496	52.3
81.03419	19.7
81.07061	28.0
83.04980	7.8
83.08623	8.6
85.06548	3.2
85.10189	17.6
89.06007	2.8
91.05473	51.0
93.07052	28.0
95.04984	13.5
95.08617	25.6
97.06528	6.1
97.10169	6.5
103.03920	5.1
103.05466	2.5
105.07033	27.8
107.04958	35.4
107.08591	15.3
108.12730	1.4
109.06532	2.9
109.10162	10.5
115.05451	4.6
117.07030	38.7
119.08591	25.0
121.06508	6.5
121.10126	11.2
123.08084	1.6
123.11721	4.1
128.06192	4.3
129.05511	2.1
129.07002	14.2
130.07779	5.8
131.04942	3.9
131.08572	35.4
133.10117	2.7
135.08073	2.9
135.11700	22.4
143.08539	2.5
145.06517	11.5
145.10132	53.6
145.11292	2.5
147.08066	15.2
147.11656	1.8
155.08612	7.3
163.11188	68.7
167.05595	3.0
172.94826	1.6
173.09637	35.5
191.10692	27.9
209.11777	4.3
221.11862	1.9
223.06422	4.6
225.04240	7.1
239.16042	1.4
239.23784	3.2
261.31659	1.5
265.14359	39.9
299.06131	9.6
313.27380	100.0
314.27792	2.2
358.96109	1.6
437.32211	2.0
503.37277	18.6
521.38434	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	4.3
54.41611	1.2
55.01880	7.5
55.05515	18.3
57.03447	3.1
57.07078	37.2
61.02927	1.1
63.94997	1.1
65.03960	2.0
67.05511	28.0
68.41801	1.1
69.07076	16.6
69.29145	2.4
69.29546	8.9
71.04993	2.6
71.08636	25.6
78.01831	1.0
78.68111	1.0
79.05502	19.9
81.03433	8.4
81.07062	33.8
83.01355	4.6
83.04984	10.1
83.08627	21.6
85.02922	4.1
85.06561	1.4
85.10191	13.6
91.05489	15.5
93.07043	21.8
95.04974	6.8
95.08618	33.0
97.02904	2.5
97.06565	3.7
97.10189	8.9
99.04506	1.5
99.11751	1.2
102.00391	1.5
102.41671	1.2
105.07032	12.1
105.07584	1.2
107.04958	8.2
107.08613	13.7
109.06527	7.3
109.10164	13.9
111.04480	3.4
111.11766	1.9
117.07039	7.2
119.08598	9.5
120.79382	1.4
121.06503	2.9
121.10168	9.8
123.08065	8.3
123.11742	5.3
125.09616	1.9
129.07036	1.4
131.08621	4.3
133.10159	3.7
135.08102	2.0
135.11729	9.9
137.09677	1.9
137.13304	3.5
143.08673	2.7
145.06561	1.5
145.10095	13.0
147.04443	2.6
147.11758	1.9
149.09627	1.6
151.14893	1.8
153.12798	3.4
155.08609	2.3
163.11206	21.0
173.09753	2.9
181.12299	2.9
184.07628	1.3
191.10741	2.9
195.11940	1.2
208.38727	1.3
209.11661	8.9
221.15562	1.4
222.15741	2.7
222.53610	1.3
227.12822	5.4
239.23708	9.2
248.13902	1.5
249.14629	2.3
251.16524	2.1
274.47180	1.4
279.16031	4.4
303.19617	1.6
304.20038	3.0
354.44391	1.5
521.38452	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.0
53.98423	0.7
55.01867	1.1
55.05511	3.0
57.03430	0.9
57.07069	1.0
67.05227	0.7
67.05508	8.9
69.03439	1.2
69.07066	1.8
70.56102	2.1
71.04982	1.1
76.50407	0.7
79.05496	3.0
81.07064	8.8
83.04982	2.6
83.08620	0.8
85.06539	5.0
91.05493	3.0
93.07051	6.5
95.04963	1.9
95.08612	28.9
97.06509	1.7
97.10162	1.2
99.04443	1.5
105.07031	5.5
107.08592	3.7
109.06533	1.5
109.10162	6.1
111.04435	0.6
111.08096	2.2
113.06020	3.6
113.09620	2.3
117.06997	1.5
119.08587	4.9
121.10154	6.3
122.07267	1.5
123.08072	6.9
123.11690	1.0
125.05971	0.8
125.09611	1.0
131.08517	1.2
133.10107	4.3
135.08070	1.2
135.11702	1.5
135.86320	0.6
136.31468	0.6
137.09628	9.4
139.07576	1.1
141.09120	6.9
143.08595	0.7
145.10138	1.8
147.11719	2.4
149.06003	0.9
149.09647	5.5
149.13316	1.0
151.07565	7.1
151.11182	1.0
153.60411	0.7
155.10597	1.2
157.08731	0.7
157.10104	1.1
159.10262	1.2
159.11707	1.8
161.09647	1.4
163.11186	2.5
165.09125	100.0
166.09547	0.8
169.08609	1.7
169.10088	1.0
172.21942	0.6
173.09598	1.2
174.10423	0.6
175.07434	0.8
175.11198	1.6
177.09142	5.0
177.12703	0.7
179.10667	1.5
187.09677	3.8
187.11258	2.0
189.09082	2.1
189.12732	1.7
191.10672	3.8
199.11183	0.7
201.12759	0.9
201.81540	0.6
203.10684	3.9
205.12251	9.3
217.12202	1.1
219.13556	0.7
229.11928	0.7
231.13731	1.1
233.12175	0.6
235.13321	2.4
243.13844	1.6
257.15350	1.1
271.17007	1.3
275.20087	1.8
285.18454	5.9
303.19537	3.3
317.21243	0.7
467.27744	1.2
485.28967	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	521.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	3.1
53.03951	12.1
53.87716	1.8
55.01880	9.5
55.05518	13.6
56.32484	2.0
57.03437	25.5
60.08164	3.8
61.02932	85.9
65.03924	6.5
67.05508	65.7
69.03082	2.7
69.03432	35.7
69.07063	9.3
71.01333	6.2
71.04979	5.4
71.07360	1.9
73.02923	35.8
75.04501	2.0
79.05062	3.3
79.05495	65.4
81.03429	18.6
81.07062	47.4
83.01364	2.5
83.04982	3.7
83.08611	3.7
83.24017	1.8
85.02424	3.7
85.02909	65.4
85.06509	2.6
86.09708	14.1
87.04448	3.5
91.03394	3.2
91.03956	46.3
91.05483	100.0
93.06466	3.5
93.07050	66.5
95.04969	7.8
95.08050	3.5
95.08614	40.5
97.02276	3.7
97.02894	60.6
97.06524	9.9
97.10155	2.3
98.98493	2.3
99.04469	9.9
101.02392	17.3
103.03928	9.5
103.05448	2.3
105.04539	2.7
105.07036	46.7
107.04933	2.3
107.08593	26.4
109.02868	8.1
109.06533	4.5
109.10143	13.1
112.69711	2.0
115.03965	5.1
115.05437	8.3
116.06248	2.2
117.05524	1.9
117.07023	44.8
119.07787	3.3
119.08590	46.7
121.06500	2.7
121.10176	21.1
123.08038	3.5
125.00038	12.2
127.03935	20.3
128.06210	5.4
129.05511	12.1
129.06998	19.7
130.07703	2.1
131.08563	44.9
133.06473	3.1
133.10123	25.4
135.08034	5.3
135.11700	11.8
141.06993	8.4
142.07753	2.4
143.08575	14.4
144.53157	2.0
145.04958	10.7
145.06383	1.7
145.10115	22.7
147.11700	11.8
149.09599	6.7
149.13255	5.3
155.08556	7.5
157.10141	13.0
159.11685	14.4
161.09579	4.5
161.13258	7.4
163.11221	3.4
165.12726	1.9
167.08563	2.1
169.10092	11.7
171.11688	12.0
173.09715	2.4
173.13271	13.4
175.11209	3.1
175.14766	6.8
181.10196	2.1
183.06558	3.3
183.11650	6.2
184.07367	42.2
185.07777	10.7
185.13269	7.4
187.11234	3.6
187.14841	6.6
188.10344	2.1
195.11714	2.3
197.13245	5.7
199.14856	5.5
201.07671	2.4
201.16386	18.9
211.14801	6.3
267.21033	5.1
285.22183	3.0
359.25827	20.8
521.31244	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	521.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02854	2.1
53.03944	6.4
53.10535	2.6
55.05264	3.0
55.05511	35.7
57.03438	5.1
65.03938	2.6
67.05177	2.1
67.05508	29.5
69.03439	11.3
69.07069	15.3
70.09217	9.9
71.05000	4.4
71.37449	2.3
79.05494	27.7
81.07058	45.4
83.04963	9.6
83.08628	4.7
85.06539	7.8
85.09079	2.3
91.05470	24.9
93.07053	44.5
95.04983	15.6
95.08611	100.0
97.06543	18.0
97.10170	34.7
99.08098	3.0
105.07041	33.8
107.04975	12.5
107.08601	35.2
109.06523	24.1
109.10162	21.4
109.63593	2.6
111.08118	2.7
113.06025	3.0
115.05435	3.6
117.07041	11.5
119.08586	48.5
121.06516	9.5
121.10152	37.1
123.08080	43.9
123.11703	8.9
125.06001	63.5
125.09628	16.0
127.07569	2.1
129.07008	5.3
131.08557	25.9
133.06480	4.6
133.10143	38.1
135.08075	24.0
135.11693	13.6
137.05936	4.0
137.09601	11.5
139.07527	6.2
141.09109	15.1
142.07744	5.2
143.08577	12.5
143.10658	6.8
144.09184	2.8
145.10118	32.6
147.08049	10.3
147.11699	14.0
149.05966	3.6
149.09615	17.3
149.13260	4.4
151.07562	31.4
151.11182	6.8
153.05473	10.7
153.09085	7.2
155.08559	4.6
157.10155	16.3
159.08044	5.8
159.11703	15.0
160.08862	2.7
161.05919	3.1
161.09662	18.8
161.13229	8.4
163.07547	8.0
163.11182	7.1
163.14861	3.3
165.09105	13.7
165.12700	3.5
167.07016	3.5
167.10681	4.4
169.10170	5.0
171.08047	2.6
171.11679	9.0
173.09622	14.5
173.13254	13.8
175.07526	4.7
175.11195	9.3
175.14844	6.9
177.09158	20.0
177.12772	4.7
179.07196	2.2
179.10724	19.9
181.10066	3.7
182.10999	2.7
183.11676	7.2
185.09651	4.0
185.13281	8.8
187.11205	6.9
187.14867	11.8
189.12787	6.4
189.16478	5.9
191.10663	11.0
191.14355	3.3
193.08629	3.7
193.12212	4.2
195.10136	4.9
197.09641	4.4
197.13310	5.5
199.14848	4.9
201.09200	4.1
201.12701	6.5
201.16348	3.2
203.10721	3.5
203.14249	5.2
205.12227	3.0
205.15831	2.7
211.14836	6.4
213.12778	5.4
213.16386	3.0
215.10722	7.1
215.14272	18.3
219.13654	3.6
219.17339	3.0
221.11607	3.6
221.15422	2.8
225.16360	4.3
227.14319	3.9
229.15807	7.7
230.20311	2.3
231.13782	8.9
233.15358	9.4
239.14285	4.4
243.13838	4.3
244.15015	2.4
245.11949	2.4
245.15388	6.5
247.17047	5.9
255.13939	3.1
255.17375	3.5
257.15411	7.8
271.16922	5.5
275.01648	2.5
275.16385	11.6
287.16547	2.9
289.18015	5.6
299.16238	3.7
315.15982	2.9
317.17459	9.8
327.19504	2.9
353.24747	2.4
377.24719	3.2
381.24503	4.0
385.23410	3.3
395.25974	14.2
397.27545	3.6
399.25253	2.7
405.24469	3.8
413.26874	39.9
423.25290	36.9
431.28122	24.0
439.24716	4.0
441.26407	65.8
457.26071	8.2
459.27432	39.0
467.24774	3.1
475.26758	6.2
477.28238	4.0
503.26566	4.3
521.27283	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	521.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04692	0.3
52.82209	0.3
52.93997	0.3
53.03941	0.6
55.01867	0.6
57.03435	0.6
60.74034	0.3
61.02912	0.5
63.65655	0.3
65.26390	0.3
66.60141	0.3
67.01868	3.7
67.05478	0.3
68.99783	1.8
69.03420	2.9
70.32378	0.6
70.32770	0.6
73.02922	0.4
81.03421	2.1
83.01300	0.5
85.02906	3.6
87.00833	1.8
87.62653	0.3
91.05482	2.1
95.04959	0.8
95.08640	0.3
97.02900	2.0
99.04458	0.9
105.01833	0.9
107.04954	1.7
107.08590	0.4
109.02879	1.8
111.00825	0.3
119.04938	5.6
121.02812	0.5
121.06509	2.2
121.10220	0.3
123.04409	2.0
127.03913	3.0
129.01839	0.7
137.05974	1.0
145.04961	1.5
147.04416	20.5
151.03906	0.3
153.01833	93.1
154.02164	0.5
159.02902	1.2
165.09059	0.4
171.02896	24.9
178.90607	0.3
179.03418	0.9
189.05563	0.6
195.02867	1.4
201.05305	0.4
231.06535	0.9
273.07578	100.0
274.07901	1.2
287.76425	0.3
302.02222	0.3
315.08578	0.6
339.08499	0.4
343.41931	0.3
381.09717	0.4
401.07080	0.5
493.15558	0.4
501.67554	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12206	0.2
55.05517	1.3
55.69261	0.2
56.05038	1.5
57.03424	0.4
58.06577	1.5
60.08171	17.3
67.05510	3.2
69.07061	1.2
70.06613	0.2
70.69411	0.6
71.05015	0.2
71.07378	7.0
79.05496	1.1
81.07059	2.9
83.08616	0.5
86.09713	52.9
87.10033	0.3
91.05473	0.6
93.07051	1.0
95.08628	1.9
98.98469	3.5
104.10753	100.0
105.07045	0.4
107.08604	0.5
109.10167	0.8
119.08559	0.5
121.10166	0.3
123.59544	0.3
125.00014	30.2
163.01584	0.8
184.07356	99.7
185.18007	0.2
257.80896	0.2
258.11096	0.9
314.60236	0.2
337.27466	1.0
346.98599	0.2
439.29596	0.2
502.32965	8.8
520.34033	25.2
521.34351	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43612	0.1
55.05512	0.3
56.05036	0.7
56.19840	0.1
57.03444	0.2
58.06630	0.4
59.07376	0.1
60.08167	6.5
67.05516	0.5
67.64212	0.1
69.07075	0.3
69.91202	0.1
69.92464	0.2
69.92885	0.2
71.04175	0.1
71.07376	3.0
79.05477	0.1
81.07082	0.5
83.08654	0.2
86.09706	29.9
91.05496	0.1
93.07034	0.1
95.08611	0.4
98.05138	0.1
98.98465	3.2
103.77367	0.1
104.10747	2.9
109.10154	0.2
116.99480	0.1
125.00007	21.9
130.73030	0.1
143.01073	0.2
148.79871	0.1
184.07343	100.0
185.07704	0.2
258.11038	0.2
337.27515	0.1
502.32965	0.9
520.34021	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52576	2.4
53.03949	4.0
54.46092	2.6
55.05509	34.1
57.03441	16.1
57.07077	7.9
65.03949	4.3
67.05511	86.2
69.03447	2.4
69.07071	27.9
71.05006	6.6
71.56363	2.1
71.56858	3.4
73.04764	3.3
75.41401	2.4
79.05505	40.4
79.76299	2.3
80.65533	2.4
81.03422	46.4
81.07064	100.0
82.07420	3.2
83.04987	10.8
83.08625	29.1
85.02920	18.8
91.05475	44.5
91.06002	3.3
93.07053	38.9
95.04977	21.8
95.08612	33.8
96.00254	3.4
97.06542	4.6
97.10177	8.4
99.08086	10.1
105.07040	30.4
107.04961	8.9
107.08595	12.4
108.08896	2.5
109.06496	4.0
109.10181	14.0
111.08084	11.3
111.11689	2.6
117.06987	4.5
119.08589	20.3
121.06525	4.8
121.10155	19.3
123.08131	5.1
123.11730	15.6
125.09641	5.8
129.07005	8.7
131.08588	10.4
133.10141	17.9
135.11708	5.9
137.13205	3.1
145.10127	5.0
147.11670	18.8
149.09612	4.2
149.13231	5.9
157.10129	10.7
159.11708	3.0
161.13274	4.9
167.05640	3.9
175.11211	12.2
193.12247	46.8
211.13286	46.5
217.19569	5.8
222.38850	2.6
235.20624	4.9
249.84088	2.3
267.16089	6.0
275.72717	2.6
285.16943	4.0
299.06152	6.1
309.24231	4.8
312.29691	2.7
312.36487	2.8
402.44098	2.9
475.33771	8.2
501.35474	11.5
519.37091	80.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	15.8
55.01867	30.2
55.05513	72.4
57.03434	18.9
59.88348	4.5
65.03948	9.5
67.05508	100.0
68.99806	8.5
69.03429	15.6
69.07076	33.1
71.04987	8.7
71.57077	8.2
79.05501	92.4
81.03429	20.4
81.07066	90.8
83.04568	6.1
83.04982	39.4
83.08620	41.3
85.02894	7.8
85.06559	11.1
91.05460	81.5
93.07054	83.2
95.04977	22.5
95.08614	38.3
97.02929	9.0
97.06540	32.1
97.10184	63.0
103.05447	8.0
105.07043	64.3
106.33381	5.0
107.04975	22.9
107.08596	52.7
109.06527	18.2
109.10165	26.1
111.00840	14.0
111.04429	29.5
111.08100	12.9
115.05482	10.7
115.16177	5.5
117.07023	57.4
119.08585	36.2
121.06531	22.7
121.10151	42.1
123.04469	5.8
123.08073	15.7
123.11697	4.9
125.06017	10.3
125.09650	65.0
126.70268	5.6
127.03923	12.5
128.06242	13.6
129.05508	8.9
129.07027	49.4
131.04924	10.1
131.08585	58.0
133.06482	12.1
133.10147	23.6
135.08043	23.6
135.11678	18.9
137.09659	8.7
139.03912	22.8
139.09158	4.6
141.07004	23.9
142.07806	7.2
143.08588	28.9
145.06534	16.2
145.10135	25.8
147.04375	5.0
147.08101	13.7
147.11751	8.9
149.09631	18.8
153.07069	10.3
153.09137	10.9
153.12767	14.9
155.08560	30.3
157.06529	8.4
157.10144	22.2
159.08061	12.8
159.11745	8.0
161.09589	6.6
161.13330	8.1
163.11214	31.3
165.07060	5.7
165.09128	5.1
167.05595	7.1
167.08580	17.1
169.06445	5.2
169.10176	17.8
171.08051	9.7
171.10283	5.6
171.11736	16.1
173.09631	13.8
173.11909	5.3
173.13316	11.3
175.11168	8.3
179.08624	8.5
181.10092	12.0
181.12265	14.1
183.11745	14.9
185.09628	11.8
187.11197	6.3
189.11234	36.3
189.12694	6.5
191.10715	18.9
195.11751	13.9
197.09679	10.5
199.11186	7.0
201.12706	24.1
205.10197	6.6
209.11722	10.5
211.11168	7.1
211.14851	8.0
213.12714	6.8
221.13309	11.5
223.11255	16.7
227.12767	44.9
237.12796	6.6
239.14377	18.4
241.12244	15.4
245.13957	7.9
251.16507	11.9
257.15417	11.2
259.13080	6.1
279.15964	38.5
283.15445	21.7
293.17490	7.2
299.06137	19.1
345.22214	5.6
350.56882	5.3
363.23285	7.5
373.21866	9.2
381.24377	5.1
391.22604	21.9
409.23767	21.2
427.24893	19.1
437.15741	9.9
465.15753	7.2
483.16293	14.1
483.27313	27.3
501.17850	8.3
501.28589	35.1
519.18823	36.1
519.29163	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	21.1
62.57220	18.1
66.19918	22.7
67.05512	28.9
69.03416	28.9
69.47754	92.2
69.48158	43.0
71.05007	23.7
79.05498	37.6
81.03444	28.7
81.07066	73.5
85.02917	25.4
91.05458	31.4
92.26515	20.6
93.07040	48.6
95.04941	28.4
95.08620	65.1
105.07043	35.8
107.08597	100.0
109.10187	48.3
111.08066	35.4
119.08616	43.8
121.10155	42.4
125.09663	46.7
131.08502	36.9
133.10121	33.5
135.11682	53.4
145.10120	43.4
147.11710	70.9
153.12756	37.2
167.05624	20.6
217.15816	43.6
235.17027	37.6
237.12950	22.9
244.33549	22.6
253.17979	45.4
271.36819	20.8
299.06210	34.7
344.97665	22.6
348.99738	19.7
358.13202	27.0
466.66180	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	35.8
71.57012	49.3
76.95837	25.3
79.05485	43.1
80.47013	25.4
81.03385	28.0
81.07061	59.1
85.02926	34.6
91.05823	34.5
93.07050	61.9
95.08608	83.4
97.38503	28.0
105.07050	71.7
107.08597	100.0
109.10160	49.0
111.08088	41.2
119.08595	39.3
121.10139	50.5
127.93007	27.2
131.08636	29.9
133.10059	38.2
135.11678	46.3
145.10150	39.3
147.11649	66.3
161.09625	34.0
165.09125	98.3
167.05592	39.4
182.45346	39.9
189.16388	45.2
217.15927	55.5
224.04314	30.7
235.16985	65.4
253.18018	48.6
299.06256	65.1
306.22504	29.9
307.11838	31.8
337.73102	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	518.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01919	0.6
53.03946	0.6
55.05507	1.3
56.05029	1.0
57.03435	0.8
58.06607	1.7
60.07877	1.0
60.08168	18.1
67.05505	4.0
69.07052	1.1
69.99421	0.7
71.07377	7.0
71.14543	1.0
79.05502	3.0
81.07062	3.6
83.08627	0.8
86.09709	58.0
91.05478	2.6
93.07045	3.9
95.04984	1.0
95.08608	2.7
98.21516	0.6
98.98464	4.9
102.78127	0.6
104.10747	96.6
105.07016	1.6
107.08602	1.5
119.08565	0.8
121.10121	1.1
122.13578	0.5
122.24447	0.5
125.00011	31.7
131.08575	0.9
151.25076	0.5
163.14911	0.7
184.07346	100.0
258.11151	1.0
381.06943	0.7
486.64011	0.6
500.31335	7.3
518.32428	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	518.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88021	0.4
55.05504	0.9
56.05031	1.2
58.06612	1.6
60.07875	1.1
60.08168	17.1
67.05502	2.9
69.07043	0.9
70.82309	1.6
71.07379	7.8
79.05489	2.3
81.07055	1.8
81.69058	0.5
85.51028	0.5
86.09710	53.4
91.05447	0.7
93.07037	2.4
95.08603	2.4
98.98476	4.1
104.10749	100.0
105.07033	0.7
107.08595	0.6
125.00012	30.4
146.52570	0.5
163.01602	0.7
184.07352	97.7
249.81825	0.5
258.11014	0.8
268.47986	0.5
310.38708	0.7
330.34796	0.5
335.25937	0.9
416.75937	0.5
500.31372	7.5
518.32452	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	0.6
58.06637	0.4
59.07385	0.2
60.08166	6.3
67.05513	0.6
69.07055	0.2
69.64323	0.9
70.06603	0.1
71.06981	0.2
71.07377	3.5
79.05489	0.3
81.07056	0.4
83.69280	0.1
86.09711	31.9
87.10054	0.2
91.05460	0.3
93.07050	0.3
94.68138	0.1
95.08637	0.3
98.21458	0.3
98.98473	3.5
100.31717	0.1
104.10744	2.8
105.07057	0.2
107.08582	0.2
107.53230	0.1
109.07468	0.1
124.76640	0.1
125.00011	22.3
127.54404	0.1
127.87121	0.1
139.50999	0.1
143.01091	0.2
176.06458	0.1
184.07350	100.0
185.07684	0.3
248.78639	0.1
258.10883	0.2
334.09247	0.1
500.31152	1.1
518.32428	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15997	1.2
56.96554	2.6
57.03428	4.1
63.85739	1.3
65.03936	1.0
69.03432	3.8
70.12045	4.0
71.04995	23.7
72.98923	1.1
75.04485	2.3
81.03398	1.3
83.04978	2.9
85.02911	44.5
85.03429	2.2
87.03162	1.5
89.03954	1.2
91.05473	4.3
97.02901	3.2
98.97559	1.8
99.04436	1.8
103.05453	3.0
118.06559	2.6
119.04969	2.9
120.08115	19.3
124.03934	8.0
127.03923	1.8
129.05489	8.2
131.04933	2.5
135.04390	1.6
145.05006	1.4
146.06021	52.4
147.04413	10.9
147.06500	3.9
149.05983	1.7
163.03931	3.2
164.07077	87.6
166.08675	7.7
172.50763	1.3
178.08691	2.0
192.06548	13.2
203.03444	2.8
206.08162	5.1
210.07626	100.0
222.07646	2.1
237.02962	2.1
252.08710	7.1
255.01340	1.6
256.09689	2.1
274.10648	1.9
276.08640	2.8
292.11893	2.1
302.10242	5.4
313.02878	1.4
320.11252	5.6
336.10852	2.4
338.12366	12.4
354.11917	2.3
356.13321	3.8
399.06055	2.9
407.25595	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.9
55.01865	1.7
55.05508	5.5
57.98801	1.2
58.99588	21.2
67.05507	8.1
67.14835	0.8
69.07049	1.2
70.69909	0.9
70.70231	1.9
71.04995	2.3
76.02229	100.0
76.03992	2.6
77.03906	0.8
79.05498	13.0
80.05028	1.1
81.07063	10.4
83.04964	2.9
84.04504	15.9
86.99065	4.7
88.02219	1.3
91.05483	27.4
93.07046	15.8
95.04964	1.9
97.06535	1.7
102.05561	0.8
103.05441	0.9
105.07035	39.5
107.08620	6.4
109.06464	1.0
114.03798	0.9
115.05452	1.6
116.01681	27.3
116.06280	1.3
117.06997	1.8
119.08585	16.0
121.10145	12.0
124.02263	0.9
128.06236	1.6
129.07030	8.4
130.05002	9.7
131.08575	37.2
133.06511	1.1
133.10132	18.6
135.11710	5.3
142.03221	9.5
142.07797	3.5
144.01144	15.9
145.10149	5.7
147.11697	8.2
149.09663	4.4
157.10115	5.0
162.02213	52.6
163.11171	4.8
167.10742	0.8
170.02679	4.0
175.11195	15.7
179.04861	98.8
181.12206	4.8
187.05374	2.0
188.03664	0.9
193.12244	7.6
215.04874	2.3
233.05910	18.9
245.05907	2.6
260.70987	0.8
286.14737	6.1
290.07971	1.2
291.06497	1.6
308.09116	51.1
389.17371	7.7
443.18518	2.1
460.16034	0.9
500.21600	0.9
518.21472	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	518.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
57.03427	0.5
66.38860	0.2
69.03426	0.5
71.00793	0.6
71.04986	1.8
77.53632	0.2
78.03474	0.3
79.67392	0.2
80.05025	3.5
81.03413	0.3
83.04978	0.3
85.02914	3.7
92.83335	0.2
95.03300	0.2
95.04971	0.2
96.04510	2.9
97.02912	0.4
99.04449	0.2
103.03989	0.2
105.01881	0.7
109.02883	0.8
111.04443	0.6
123.04395	0.3
124.03962	100.0
125.04278	0.4
127.03923	1.4
129.05487	1.1
145.04948	0.5
159.51938	0.2
189.04048	0.3
203.03476	0.3
231.04984	0.4
248.64258	0.2
272.99625	0.3
449.76352	0.2
457.84875	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	6.1
55.05517	64.2
57.03434	16.2
57.07077	11.3
67.05511	64.3
69.03448	4.6
69.07073	67.1
71.04993	7.6
71.08635	10.6
71.56725	6.1
79.05496	56.9
81.03416	7.9
81.07066	87.3
83.04988	9.2
83.08624	45.7
85.06522	5.2
85.10177	5.7
85.52295	3.7
87.04507	4.6
91.05486	38.7
93.07037	65.3
95.04992	10.3
95.08608	58.6
97.06535	12.0
97.10177	24.5
99.08087	8.4
105.07038	35.8
105.91429	3.7
107.08595	44.7
109.06525	5.4
109.10151	44.7
109.78492	3.7
111.08105	9.0
111.11703	6.7
115.07534	4.9
117.07033	7.4
119.08595	31.9
121.10149	47.8
123.08077	6.1
123.11735	7.5
125.09615	8.4
129.06958	10.7
131.08566	28.3
133.10114	27.8
135.11746	26.5
139.11191	4.5
143.08562	10.1
145.10138	18.0
147.11703	18.9
149.09589	4.6
149.13269	10.3
159.11710	17.0
161.13271	10.3
163.14856	15.4
171.11597	8.4
173.13326	7.2
175.14856	5.0
177.16484	5.3
181.15749	10.4
183.11687	5.2
185.13216	6.6
187.14795	5.9
199.14951	4.6
209.19031	8.9
251.19833	4.1
255.19478	9.7
273.17871	7.1
273.20572	61.0
281.38229	4.6
283.22913	6.4
287.22205	10.6
299.23831	4.1
301.23621	29.0
313.25052	5.3
407.29028	4.3
407.34872	7.1
425.34363	14.3
481.39017	5.7
499.39920	34.9
517.39886	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26536	0.9
53.03934	1.8
55.01879	1.2
57.03437	2.6
61.02912	2.9
62.84855	1.1
69.03439	9.8
70.38315	1.0
70.38660	3.6
71.04988	1.5
81.03419	4.0
85.02908	34.8
97.02895	9.8
99.04433	1.4
105.43729	1.2
109.02881	2.4
119.04945	1.8
123.04452	3.1
124.03963	23.3
127.03920	6.6
128.14301	1.1
131.04926	2.1
135.04471	1.8
145.02846	1.1
145.04935	5.6
147.04424	12.5
149.02362	4.5
149.06110	1.2
151.29506	0.9
161.06065	1.6
163.03882	10.5
175.03934	2.5
177.01901	6.4
177.05489	3.0
180.08702	1.3
187.03917	3.4
189.05467	2.1
195.02908	1.5
203.03406	100.0
205.05017	7.7
213.05405	1.7
215.03439	6.0
229.04987	2.0
231.02907	12.0
233.04405	5.8
259.06104	1.1
261.04016	10.9
279.05020	23.3
279.07794	2.0
291.04971	27.6
303.04987	1.8
321.06143	9.1
339.07138	39.6
356.09924	2.4
357.08136	1.1
402.30267	1.2
518.15009	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61998	5.2
54.10200	5.2
55.05515	48.9
57.03431	7.5
57.07065	14.8
62.04241	5.1
64.90761	6.0
67.05509	63.7
68.05131	4.9
69.01118	5.6
69.07079	73.0
71.57061	5.4
71.57566	6.7
79.05501	45.0
81.03420	5.9
81.07065	100.0
83.04951	6.6
83.08620	45.0
87.25135	6.4
87.35329	4.8
91.05466	23.9
93.07055	53.6
95.04974	6.3
95.08123	6.8
95.08617	63.3
97.06538	13.4
97.10162	25.8
105.07021	14.6
107.08601	32.4
109.10166	24.9
111.08069	19.3
111.11700	6.0
119.04897	7.6
119.08580	14.9
121.10154	38.6
133.10178	6.5
135.11670	20.2
139.11206	8.2
147.04379	31.0
147.11748	17.3
149.13208	5.6
161.13364	7.4
163.14867	21.8
171.11722	11.4
177.16405	7.5
181.15852	18.9
189.12790	5.8
191.18010	7.2
195.17464	9.9
199.16982	6.2
209.18971	17.6
243.82973	6.3
269.21014	6.6
273.20627	18.3
283.22775	6.1
301.23727	10.4
379.10678	5.5
389.34174	18.4
407.35190	42.0
418.62787	6.0
425.35971	11.6
481.38708	18.8
499.40125	57.4
517.39337	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	517.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.2
55.01876	12.2
55.05515	36.7
57.03434	1.8
57.07077	10.9
57.51128	0.6
65.03934	2.5
67.05508	33.5
69.03427	1.1
69.07072	33.9
71.04998	1.0
71.08630	6.4
71.41357	1.2
79.05495	39.5
81.03420	5.0
81.07059	32.1
83.04990	7.5
83.08620	29.4
85.06552	1.2
85.10188	2.5
91.05485	30.8
93.07048	34.9
95.04977	11.3
95.08611	19.5
97.02880	0.6
97.06558	4.4
97.10175	19.8
99.08104	0.8
105.04534	1.0
105.07037	21.5
107.04961	4.0
107.08593	11.3
109.06527	2.4
109.10170	4.7
109.94846	0.6
111.08088	1.9
111.11725	4.9
113.09632	0.7
117.07040	4.1
119.08580	11.6
121.06516	1.6
121.10147	9.4
123.08098	2.7
123.11704	1.7
125.09608	0.9
125.13298	1.4
128.06219	1.5
129.07010	6.8
131.08578	1.6
133.06468	0.6
133.10139	5.3
135.11700	5.1
137.13266	1.7
143.08575	3.9
145.10127	3.7
147.08026	0.9
147.11690	12.7
149.13266	1.8
159.11815	0.7
161.09674	2.3
161.13269	6.4
171.11676	12.3
179.14285	0.7
189.12755	5.2
207.13821	12.6
207.98355	0.6
219.21088	1.3
237.22125	18.7
270.09442	0.7
303.08887	0.6
307.15088	0.7
324.96185	0.6
326.36713	0.7
337.13757	0.6
407.57019	0.6
468.96030	0.6
485.93832	0.6
517.38904	100.0
518.39111	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	517.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.4
55.01881	10.4
55.05515	38.4
55.34573	1.8
56.44452	1.9
57.03443	8.8
57.07072	7.6
59.05007	2.8
65.03929	2.7
67.05513	82.2
69.03426	3.9
69.07076	16.4
69.38872	13.1
71.04987	5.8
78.01721	1.7
79.05499	48.2
81.03417	11.9
81.07066	86.8
83.01339	6.0
83.04993	9.6
83.08630	16.8
85.02901	3.1
85.06522	2.4
91.05488	38.4
93.07056	41.9
95.04990	13.3
95.08037	3.5
95.08619	38.9
97.02914	2.0
97.06538	5.6
97.10184	14.8
99.08092	5.2
105.07051	31.5
107.04968	7.9
107.08596	22.6
109.06536	6.4
109.10169	18.7
111.04485	3.7
111.08101	3.5
115.05481	2.9
117.07027	11.3
119.08600	22.8
119.45694	1.6
121.06562	3.6
121.10168	16.0
123.08080	7.9
123.08950	1.8
123.11733	9.7
125.09666	13.8
129.07013	6.0
131.08597	13.5
133.06482	1.9
133.10164	13.9
135.08072	5.5
135.11700	16.6
137.09671	1.9
138.35555	1.8
143.08571	4.2
145.06474	3.0
145.10167	17.2
147.08078	2.6
147.11708	9.2
149.13344	1.9
151.11076	2.2
153.12781	3.1
155.08595	3.6
157.10147	5.7
159.08110	3.1
159.11717	5.9
161.13287	6.6
163.11223	22.8
165.12758	1.8
165.79073	2.2
169.10217	3.1
171.11716	4.3
173.09622	4.8
173.13315	5.1
175.14880	3.9
181.10112	2.7
181.12366	2.2
183.11678	2.3
185.13301	3.9
189.11259	6.1
191.10693	3.1
209.11652	4.7
215.17984	3.3
217.19524	7.3
227.12723	8.5
235.20558	3.1
269.66739	1.8
273.22144	7.8
283.15485	6.2
327.23300	2.0
385.25778	1.9
407.29391	6.5
425.30334	18.3
443.31537	6.4
461.32773	4.2
499.34210	15.1
517.35309	100.0
518.35596	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.4
55.01855	4.7
55.05520	24.8
56.34090	2.4
57.03425	9.2
57.07062	4.6
65.03932	4.6
67.05169	5.0
67.05511	82.9
69.07074	26.9
71.04993	6.5
73.82852	2.6
79.05061	4.3
79.05499	66.7
81.03436	21.9
81.07066	78.5
82.38995	3.4
83.05006	6.7
83.08627	11.1
85.02908	5.7
85.06525	3.9
91.05490	100.0
93.07056	70.9
95.04968	14.6
95.08612	74.7
96.64211	2.7
97.06527	11.7
97.10162	3.5
99.08091	3.1
105.07052	34.8
105.12580	3.2
107.08599	37.5
109.06512	6.4
109.10165	26.7
117.07000	17.5
119.07787	5.5
119.08595	88.8
121.06533	7.0
121.10153	35.9
123.08060	5.8
123.11694	7.1
125.06047	3.3
125.09618	4.9
128.06244	3.0
129.07024	12.1
131.08577	25.2
131.18533	2.6
133.10126	16.9
135.08028	6.6
135.11700	18.3
137.09634	37.7
139.49991	3.0
143.07043	5.8
143.08557	10.2
145.10143	17.0
147.07996	7.6
147.11694	18.2
149.09586	2.9
149.13261	8.5
155.08592	5.1
157.10139	8.1
159.11705	16.1
161.13263	11.3
163.14815	4.0
165.09143	27.5
169.10101	4.7
171.11716	6.2
173.13252	14.1
175.14850	5.1
183.10164	10.5
183.11681	4.6
185.13225	4.8
187.14856	4.4
189.16403	3.2
195.11633	2.7
199.09671	6.6
199.14859	5.8
239.12788	4.5
241.19655	3.6
243.20982	3.2
261.22144	9.5
263.23746	3.3
267.21136	3.0
301.25189	5.3
317.24545	4.3
327.23264	3.6
335.25644	16.3
389.28192	6.2
401.26627	4.0
407.29224	10.2
425.30286	6.7
499.34109	34.7
517.34894	86.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02330	1.3
51.02379	2.4
51.19877	1.1
53.03939	9.6
55.01868	6.5
55.05270	2.3
55.05518	37.6
57.03440	12.6
57.07090	1.9
65.03929	5.6
67.05509	66.1
67.20702	1.3
69.03432	3.1
69.07069	14.1
71.04993	7.9
77.03918	1.6
77.52253	1.4
79.05500	100.0
81.03425	53.4
81.07063	61.9
83.04978	12.9
83.08625	25.4
85.02911	27.6
85.06539	4.8
91.05486	68.4
93.07051	91.5
95.04974	32.7
95.08615	33.0
96.63481	1.3
97.02866	2.8
97.06554	7.2
97.10187	8.5
97.11217	1.3
98.20631	2.6
99.08091	6.4
103.05473	2.2
105.04527	1.6
105.07034	41.0
107.04970	6.9
107.08611	24.6
109.06538	7.5
109.10165	14.8
111.04438	1.8
111.08096	12.5
113.06000	2.3
115.05462	2.4
117.07030	10.4
117.70740	1.5
119.08593	33.8
121.06496	3.8
121.10153	53.7
123.08084	4.6
123.11703	3.9
125.09656	10.5
128.06244	2.2
129.07022	15.6
130.07831	1.5
131.08588	24.5
133.06532	2.2
133.10155	22.5
135.08046	2.1
135.11682	9.6
137.09604	3.4
139.11214	1.6
141.07024	2.4
142.07799	3.8
143.08563	5.0
145.10146	13.9
147.08058	3.3
147.11696	19.1
149.09608	8.1
149.13264	4.1
157.10153	15.4
157.71295	1.5
159.11693	8.8
161.13312	4.2
163.11185	3.0
165.12784	2.8
169.10074	1.8
171.11705	4.1
173.13254	5.7
175.11191	12.9
175.14877	3.3
183.11708	3.3
185.13309	1.7
187.14845	3.1
189.11154	3.5
191.10921	1.3
193.12265	55.8
195.11632	1.6
199.14867	1.9
209.13417	1.5
211.13301	54.1
211.15260	2.8
215.18008	7.9
218.27289	1.5
227.12711	2.7
233.18994	5.9
257.19003	3.0
267.15869	6.5
268.43689	1.3
273.22101	4.3
285.16983	4.1
307.22684	6.0
310.11145	1.7
389.28448	2.0
407.29599	6.0
425.30350	3.5
443.31573	3.2
499.34094	16.3
517.27576	41.2
517.35138	98.2
518.35028	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.8
55.05518	34.2
57.07077	13.0
59.23147	8.2
61.30497	7.0
67.05511	86.9
69.03426	9.7
69.07067	33.9
70.55209	6.9
70.72617	7.2
71.55791	5.7
71.56299	12.5
79.05501	59.8
81.03416	13.9
81.07057	100.0
82.79804	8.6
83.04993	10.6
83.08633	23.6
86.03116	6.9
91.05501	38.4
93.07056	49.9
93.12248	6.4
95.04978	15.7
95.08612	56.1
96.68005	6.1
97.02928	8.1
97.06527	10.4
105.07039	32.3
107.08598	22.1
109.06493	8.2
109.10174	29.1
112.02163	7.2
113.00053	8.1
117.07028	11.6
119.08586	35.4
121.10155	25.3
123.08105	13.1
123.11713	17.0
131.08620	19.9
133.10118	18.8
135.11678	15.7
137.09729	8.0
145.10120	16.2
147.11707	19.8
149.13335	13.9
159.11725	9.1
161.13260	13.3
163.14824	8.4
171.11644	7.2
179.14331	10.2
245.22665	21.8
263.23785	28.9
331.26279	11.1
337.27408	25.3
425.30426	11.2
428.78458	7.5
443.31540	11.6
499.33655	12.2
499.42773	6.9
517.34912	19.5
523.43481	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	515.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74116	1.3
51.02385	1.4
51.71408	1.1
53.00317	1.1
53.03947	4.8
55.01868	3.1
55.05515	22.0
57.03435	7.7
57.07067	3.8
65.03922	3.3
67.05506	61.6
69.03409	1.1
69.07067	17.3
71.01348	1.8
71.04990	6.0
71.08608	1.0
72.00546	1.0
79.05495	57.2
81.03418	4.6
81.06578	2.4
81.07057	43.7
83.04990	6.0
83.08620	7.0
85.06544	3.0
86.15498	1.0
89.30697	0.9
91.05486	32.1
93.07047	59.8
95.04993	7.4
95.05515	1.8
95.08606	28.4
97.06550	10.1
97.10175	8.6
98.17303	1.1
98.20612	2.2
99.04496	1.1
99.08109	1.1
103.05473	1.1
105.04520	2.4
105.07039	22.3
107.04958	1.6
107.08595	37.7
109.06490	2.1
109.10159	13.5
115.05463	1.0
117.07016	11.3
119.08572	15.5
121.06482	1.4
121.10146	19.2
123.11701	2.6
125.09601	1.5
125.93559	1.0
129.06982	4.3
131.08588	15.9
133.10135	8.6
135.08067	1.7
135.11696	42.1
137.09575	1.3
141.07002	1.4
143.08543	5.6
145.10115	17.1
147.11736	7.6
149.13275	5.0
151.07605	1.1
153.12733	3.0
155.08586	2.1
157.10143	6.2
159.11694	9.7
161.13254	4.5
163.11154	5.5
163.14751	1.5
166.58765	1.1
169.10165	2.8
171.11720	5.2
173.13243	6.1
181.12294	5.6
183.11719	2.9
185.13293	2.9
187.14801	2.9
197.13278	2.0
199.14873	2.5
209.13347	1.1
211.15005	1.0
223.14893	1.3
239.64854	1.1
250.17714	1.1
261.22195	4.8
267.67889	1.2
299.23309	1.4
317.24817	1.6
423.32581	7.2
441.33609	2.8
459.34882	1.5
497.37015	2.1
515.29767	21.6
515.37152	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.5
55.01868	7.7
55.05514	30.7
57.03431	10.6
57.07074	5.6
65.03954	3.5
67.05509	72.5
69.07078	32.6
69.52881	11.5
69.53303	12.0
71.04961	4.2
79.05495	79.2
81.03434	12.4
81.07059	66.0
83.04980	14.3
83.08620	13.5
91.05483	67.4
93.07050	73.3
95.04978	11.2
95.08607	50.5
97.06532	13.6
97.10181	10.8
99.08102	4.1
105.07035	37.2
107.08595	45.4
109.06504	3.8
109.10159	23.7
111.08105	4.5
117.07021	23.9
119.08591	36.3
121.10139	29.0
123.08022	3.5
123.11713	5.8
125.09604	3.8
125.73412	3.4
128.06223	5.8
129.06993	15.9
130.07819	4.7
131.08580	33.8
133.10129	25.0
135.08073	11.2
135.11681	45.4
137.09618	4.8
143.07065	4.1
143.08548	15.6
145.10144	36.8
147.11687	13.7
149.13295	8.5
155.08533	8.0
157.10143	13.7
159.11691	25.7
161.13289	9.0
163.11151	4.3
163.78902	3.7
169.10133	11.3
171.11743	16.1
173.13263	18.2
175.14894	5.4
181.10083	4.6
183.11740	7.5
185.13295	10.7
187.14874	7.4
189.12788	3.7
195.11717	7.2
197.13347	6.8
199.09663	3.3
199.14809	7.0
211.14786	3.4
213.16412	3.8
223.14767	4.8
245.43539	3.4
259.20575	3.5
261.22235	6.9
294.39630	3.1
297.22018	3.5
299.23654	4.6
423.32520	11.9
436.41830	3.6
481.06729	3.3
497.32587	9.8
515.37061	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21301	0.9
51.02380	1.6
53.03963	4.4
53.21944	0.8
55.01877	1.1
55.05515	18.1
57.03445	5.6
57.07072	1.6
65.03945	2.2
67.05508	52.4
69.03413	1.1
69.07072	15.2
69.35966	6.5
69.36379	1.7
71.01354	1.7
71.04992	4.2
79.05498	50.6
81.03429	3.6
81.07063	44.3
83.04985	5.5
83.08623	8.8
85.06522	1.5
91.05489	27.5
93.07050	52.7
95.04970	5.0
95.08616	26.3
97.06533	6.1
97.10159	7.2
98.21563	1.9
99.08083	1.5
105.04540	1.1
105.07033	20.0
105.39509	1.0
107.08607	30.9
109.06543	2.8
109.10165	10.1
111.08083	1.5
111.11761	1.1
115.05423	2.5
117.07019	11.8
119.08584	18.2
121.10152	16.1
123.08139	1.2
123.11704	2.3
125.09659	2.2
128.06236	1.5
129.07042	5.7
130.07767	1.7
131.08588	15.8
133.10161	11.7
133.55682	1.1
135.10677	1.4
135.11702	29.5
135.12698	1.7
137.09645	1.8
137.13295	1.0
141.07031	2.5
142.07791	1.8
143.08574	8.7
145.10138	17.9
147.11694	7.7
149.13287	3.0
155.08585	2.7
156.09410	1.2
157.10135	7.1
157.95872	0.9
159.11726	11.5
161.13286	3.7
163.11246	3.5
163.14877	1.9
169.10208	3.3
171.11708	6.2
173.13268	8.3
175.14847	2.3
181.10294	1.9
181.12254	4.7
183.11752	3.6
185.11775	1.1
185.13188	4.3
187.14908	3.6
195.11723	2.4
196.09416	1.0
197.13245	2.3
199.14897	3.2
209.13248	1.3
211.14867	1.7
213.16632	1.4
215.18102	1.0
223.14934	1.8
225.16556	0.9
243.21124	1.0
261.22275	5.7
285.22186	1.0
297.22156	1.7
311.20422	0.9
311.23776	1.7
312.40009	1.0
317.24979	1.1
351.99756	1.0
405.31638	2.4
423.32639	8.2
424.32672	1.0
441.33862	2.7
459.34766	1.7
479.35181	1.6
497.36288	6.1
515.37402	100.0
516.37732	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	515.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.0
55.01879	1.3
55.05516	5.4
57.03416	2.3
57.07072	1.0
61.44077	0.5
64.03348	0.5
65.03921	0.9
67.05511	12.8
69.07076	11.3
69.34780	4.5
69.35199	1.3
71.04967	1.0
73.06532	0.9
74.42595	0.6
79.05071	1.0
79.05498	15.4
80.89822	0.6
81.03416	4.7
81.07059	14.8
83.04977	1.6
83.08601	2.1
91.05487	13.9
93.07059	13.3
95.04948	2.5
95.08615	10.3
97.06541	4.8
97.10135	1.7
99.08089	1.0
103.05466	0.6
104.10017	0.8
105.04516	0.8
105.06383	0.7
105.07037	9.7
107.04929	1.9
107.08602	8.7
109.10146	4.5
115.05429	1.0
117.06361	0.6
117.07030	8.7
119.08575	8.1
121.10143	5.1
123.08045	1.3
123.11720	0.6
125.09618	1.0
128.06209	1.7
129.07021	5.2
131.08578	9.2
133.06471	0.7
133.10133	5.2
135.08076	4.7
135.11711	5.1
137.09578	1.3
141.06970	1.4
142.07774	1.2
143.07079	4.1
143.08574	4.4
145.06435	1.6
145.10132	6.8
147.08020	0.8
147.11644	2.5
149.09499	1.2
149.13278	1.8
151.11189	0.6
153.09068	1.0
153.12732	0.6
155.08507	2.1
157.10149	4.5
159.07999	1.1
159.11684	4.7
161.08173	0.6
161.09573	0.9
161.13206	1.6
163.07523	1.1
165.09140	0.8
167.08492	1.5
167.26874	0.6
169.10100	3.1
171.07953	0.9
171.11678	3.9
173.09590	0.8
173.13286	4.6
175.11092	0.6
175.14728	1.1
176.07809	0.7
177.09106	0.6
179.08533	0.9
181.08607	0.8
181.10065	2.1
183.11644	3.1
185.09656	0.7
185.13280	3.6
187.11194	0.7
187.14761	1.9
195.11615	1.0
197.13185	1.7
199.09604	2.8
199.11232	1.3
199.14787	1.9
201.12724	1.1
209.13234	1.3
211.14780	1.8
213.12733	0.8
215.17821	0.8
223.14819	1.1
225.16449	1.0
239.12698	1.5
259.20493	0.8
259.93823	0.6
261.22006	1.1
283.20309	0.8
297.22034	1.1
299.23608	2.0
301.21454	1.0
313.27164	1.3
315.23218	0.7
325.21625	1.0
333.24445	0.9
339.23380	0.8
343.22653	1.1
377.28232	0.7
395.29190	2.0
399.25302	1.7
405.27667	3.4
423.28793	2.6
430.19562	0.6
441.29590	1.3
458.37152	0.6
479.31552	0.9
487.33936	0.7
497.32471	9.5
515.32086	100.0
516.32697	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.0
53.03941	2.9
55.01871	4.8
55.05515	22.1
57.03439	4.1
57.07069	2.0
59.04986	1.4
65.03950	1.9
67.05509	30.2
69.03417	1.9
69.06714	0.9
69.07066	9.8
69.34901	6.2
71.04979	3.1
71.08620	0.8
77.03906	0.8
79.05499	38.1
81.03426	5.9
81.07063	27.7
81.31243	0.6
83.01340	2.2
83.04991	7.0
83.08627	11.7
85.02895	1.7
85.06535	2.2
91.05486	24.7
93.07047	32.8
94.07796	0.7
95.04972	9.8
95.08610	16.9
96.70436	0.7
97.02911	0.7
97.06532	4.2
97.10180	14.5
98.20760	1.1
99.08087	1.2
102.54365	0.6
103.05482	1.7
105.07036	21.2
107.04978	3.9
107.08600	16.3
109.06499	3.5
109.10172	8.2
111.04457	1.7
111.08099	3.1
115.05453	1.3
116.06226	0.7
117.07020	13.4
119.08595	14.3
121.06512	2.8
121.10152	14.5
123.08111	4.1
123.11698	2.0
125.06007	1.3
125.09640	9.6
126.86275	0.7
128.06216	2.6
129.06993	7.1
130.07784	1.4
131.04971	1.0
131.08572	14.7
133.06548	1.2
133.10129	11.8
135.08104	3.6
135.11684	8.4
137.09593	1.1
141.07018	2.9
142.07797	2.6
143.08583	8.4
144.09265	1.1
145.06450	2.2
145.10132	17.3
147.08038	1.5
147.11691	7.3
149.09622	3.0
149.13257	1.4
153.09094	1.2
153.12741	2.2
155.08562	5.9
156.09296	0.9
157.06534	0.9
157.10159	8.4
159.08078	2.5
159.11713	9.2
161.09663	1.7
161.13274	3.0
163.11176	8.0
163.14822	0.9
167.08612	2.5
168.09448	1.4
169.10118	4.5
171.08136	1.5
171.11691	8.1
173.09636	2.9
173.13248	5.4
175.11234	1.6
181.10121	2.9
181.12221	1.3
181.23460	0.8
183.11734	4.8
185.09631	1.2
185.13254	4.0
187.11203	1.9
187.14828	3.1
189.11229	5.4
189.12790	1.2
189.16431	0.9
191.10672	1.6
193.10172	1.2
193.12192	1.4
195.01286	0.7
195.11711	3.2
197.13301	2.7
199.11192	2.4
199.14799	2.0
201.12811	1.7
203.14316	1.1
207.11789	1.3
209.11626	1.4
209.13402	1.7
211.11330	1.0
211.14911	1.8
213.12787	2.1
213.16354	3.3
215.17958	2.8
223.14876	1.0
225.12758	0.8
227.12741	6.4
227.14505	0.7
227.17915	1.3
231.17480	2.6
233.18954	1.4
235.14787	1.0
237.16414	2.9
241.15877	0.9
243.21179	1.0
251.17986	1.4
253.19598	2.3
255.17520	2.7
267.15869	1.1
269.15118	0.8
269.19064	1.7
271.20609	7.8
283.15457	2.2
283.20691	1.2
287.20074	0.8
295.20471	0.8
297.18802	0.8
305.21313	0.8
311.19949	1.4
325.21558	1.5
329.20987	1.2
339.23462	0.8
343.22562	1.1
377.28424	1.1
387.26706	2.2
395.29510	1.4
403.24197	0.9
405.27905	6.0
417.26489	1.0
423.28894	11.4
441.30212	4.2
459.30884	1.7
479.31467	1.3
487.34082	2.0
497.32663	12.7
498.33096	0.8
515.33704	100.0
516.33899	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41850	4.1
55.01869	4.5
55.05519	24.9
57.03426	15.5
57.07071	5.4
67.05505	89.6
69.03421	7.2
69.07070	23.0
71.01348	4.9
71.04994	5.0
73.02912	5.0
79.05495	59.6
81.03409	7.0
81.07062	100.0
83.04955	4.5
83.08611	10.5
85.02917	8.9
89.03936	6.4
91.05479	38.6
93.07054	76.2
95.04968	11.8
95.08608	67.8
97.02877	8.9
97.06522	9.3
97.10201	4.6
98.20685	10.1
105.07030	34.0
107.04941	9.8
107.08589	43.2
109.06532	10.3
109.10159	31.1
109.98354	3.7
111.04430	4.7
111.08011	6.0
117.03378	9.3
117.07011	14.2
119.08594	31.1
121.06493	4.6
121.10151	36.3
123.08087	7.2
123.11703	17.1
129.07016	8.1
131.08592	32.5
133.10132	29.4
135.04443	10.4
135.11705	32.1
137.13203	4.1
145.02876	6.4
145.10135	15.6
147.11687	13.2
149.09605	9.9
149.13222	20.8
151.11238	6.0
157.10091	7.6
159.11723	22.4
161.13222	10.5
163.03902	86.8
163.11151	5.3
163.14822	9.2
173.13239	16.5
175.14824	5.8
177.16414	9.0
187.14798	6.6
191.14241	6.9
197.13211	4.7
213.72168	5.1
243.21017	12.0
247.06015	6.7
261.22134	61.7
285.22128	6.8
301.21533	6.4
303.23181	7.8
335.25992	25.6
345.24280	11.8
353.26837	15.6
369.24084	10.9
419.27859	8.7
461.28793	4.4
497.31384	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	515.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26034	6.2
51.51884	6.2
55.05516	34.1
57.03429	13.3
57.07071	8.2
61.02922	7.6
65.03926	7.4
67.05511	98.6
69.03433	19.0
69.07072	28.6
70.32005	6.9
78.04768	6.5
79.05487	70.0
81.03416	18.4
81.07057	100.0
83.08632	8.5
85.02898	12.5
91.05485	57.1
93.07053	82.7
95.04995	12.3
95.08616	82.7
97.02872	8.2
97.06542	10.8
97.10183	8.9
99.08123	9.5
105.07021	55.2
107.04951	9.5
107.08594	50.2
109.06541	10.1
109.10149	40.9
111.77740	7.9
117.07024	29.4
119.08582	46.1
121.10125	44.5
123.11697	10.7
129.06996	15.4
131.08534	40.9
133.10144	21.0
135.11690	39.1
143.08640	11.8
145.10138	31.0
147.11679	18.0
149.09633	11.7
149.13263	25.6
157.10114	11.2
159.11726	17.6
161.09645	9.8
161.13306	14.4
163.14836	9.0
167.08673	6.8
171.11678	11.1
173.13268	26.0
183.11658	12.0
185.13330	8.1
187.14960	11.5
189.12746	8.2
197.13330	8.2
243.21115	19.1
261.22202	56.5
266.14322	7.0
303.23050	12.3
335.26062	11.3
345.24399	9.6
353.26959	20.7
369.24463	11.7
461.29120	11.1
478.40921	7.8
497.31052	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	515.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.2
55.05515	25.7
57.03431	15.2
57.07066	4.1
67.05167	6.2
67.05510	95.8
69.03426	16.0
69.07062	18.1
69.31367	34.9
71.04993	6.9
78.23115	3.6
79.05508	65.3
81.03413	14.1
81.07066	100.0
83.04987	6.5
83.08636	14.0
85.02894	15.4
85.06559	4.4
91.04985	3.9
91.05489	44.5
93.07054	74.0
95.04955	11.4
95.08612	71.5
97.02908	9.4
97.06540	7.9
97.10178	7.6
98.21507	7.8
99.04460	4.4
105.07031	36.1
107.04922	4.6
107.08603	43.4
109.06561	7.8
109.10155	37.7
117.07011	18.3
119.08592	24.6
121.10154	39.2
123.11700	14.9
127.03921	6.5
129.06990	6.7
131.08572	31.7
133.10156	27.2
135.11697	20.8
137.13264	6.6
143.08572	10.2
145.10156	23.5
147.11714	23.6
149.09605	5.0
149.13269	20.7
155.08603	3.7
157.10106	4.3
159.11697	13.7
161.13231	11.2
163.14824	11.6
171.11713	9.2
173.13258	18.3
177.12784	4.9
177.16379	5.6
185.13260	4.6
187.14873	7.3
195.34343	3.8
243.21167	17.2
261.22195	46.8
262.25192	4.0
271.58118	4.2
279.23413	3.9
303.22983	6.9
335.25812	7.7
345.24445	4.1
353.26791	7.8
369.24338	11.2
387.25168	8.8
405.26450	14.4
474.20914	4.7
497.30911	6.5
515.33514	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	515.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35184	2.5
53.03945	6.7
55.01865	3.2
55.05516	23.4
57.03428	11.5
57.07079	5.9
61.02923	5.4
65.03929	5.0
67.05507	94.1
69.03432	7.0
69.07069	22.0
69.73892	6.6
69.74302	8.8
71.05002	3.7
79.05496	64.1
79.86031	2.3
81.03418	5.7
81.07060	100.0
83.04985	3.1
83.08630	11.1
85.02894	8.6
91.03944	4.0
91.05485	48.2
93.06467	4.2
93.07053	74.9
95.04977	8.9
95.08611	87.8
97.02886	10.4
97.06584	4.9
97.10148	3.1
99.08092	3.5
105.07038	30.9
107.08603	42.4
109.06556	6.8
109.10159	34.3
111.08058	2.8
117.07037	13.4
119.08579	22.3
121.06476	4.8
121.10152	42.2
123.08088	6.6
123.10888	4.4
123.11691	23.7
125.09607	3.2
127.03992	2.9
129.07031	5.6
131.08575	34.5
133.10144	15.5
135.08086	2.9
135.11702	27.5
137.09639	4.1
137.13240	8.2
139.11200	2.9
143.08568	3.2
145.10132	21.4
147.11693	17.2
149.09648	4.6
149.13271	20.3
157.10182	3.9
159.11700	25.3
161.13286	12.7
163.11292	3.1
163.14857	12.5
169.10069	2.6
171.08049	2.5
171.11681	5.3
173.13223	20.1
175.14931	4.5
177.12733	5.2
177.16438	2.8
185.13229	2.8
187.14902	11.6
189.12704	3.3
197.13313	2.6
201.16490	4.7
215.17886	2.4
229.29773	2.3
243.21124	24.9
261.22159	72.0
279.23151	7.3
301.21558	3.0
303.23288	3.5
327.23105	3.4
335.25845	26.4
345.24399	3.2
353.26959	15.9
369.24326	3.9
377.27124	2.7
382.39456	2.9
387.25339	3.1
395.28018	2.6
405.26251	4.0
419.27756	6.5
461.29163	5.7
479.29993	3.5
497.31009	7.0
497.38141	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	515.2984
Annotation	fijianolide A
Peak:m/z	Relative Intensity
55.05500	0.5
63.58363	0.4
66.72606	0.4
67.05495	0.7
69.07088	0.3
69.33810	2.9
79.05501	0.8
81.07077	0.5
83.03825	0.3
91.03319	0.3
91.05483	0.6
93.07041	0.7
95.08607	0.9
105.07065	0.4
107.44588	0.3
119.08585	0.4
121.10134	0.4
131.08603	0.5
133.10114	0.6
147.04422	0.5
173.13278	0.5
260.71280	0.4
322.35977	0.4
515.29816	100.0
516.30219	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25166	0.4
55.01872	1.0
55.05508	3.1
57.03424	1.0
57.07061	1.0
67.05515	5.8
68.68341	0.4
69.07072	4.8
70.15527	1.8
71.05014	0.4
71.08620	0.5
79.05497	5.8
81.03412	1.9
81.07066	6.3
83.04996	1.0
83.08619	1.6
85.06557	0.4
91.05486	5.4
93.07045	5.5
95.04951	0.7
95.08603	4.9
97.06527	1.1
97.10186	0.8
98.21435	0.5
105.07037	3.7
107.04968	0.7
107.08617	3.1
109.06514	0.4
109.10159	1.6
109.51719	0.4
111.08066	0.5
115.05441	0.6
117.07001	2.3
119.08593	3.1
121.10148	1.8
125.05975	0.7
125.09629	0.7
128.06219	0.7
129.07001	1.7
131.08621	2.5
131.69223	0.4
133.10149	2.2
135.08061	1.6
135.11714	1.4
141.07025	0.9
143.07065	1.1
143.08563	1.6
145.06523	0.5
145.10143	2.9
147.11673	0.8
149.13237	0.9
153.09111	0.5
155.08508	1.1
157.10144	1.6
159.08057	0.9
159.11685	2.4
161.13313	1.0
163.11137	0.6
163.14813	0.5
165.09167	0.4
167.08577	0.6
169.10085	1.0
171.11687	1.6
173.09601	0.6
173.13269	1.5
175.11212	0.4
181.10120	0.6
183.11699	0.7
185.09665	0.4
185.13257	0.9
187.14795	0.4
195.11641	0.4
197.13327	0.9
199.09689	0.7
199.14839	0.7
201.16353	0.8
209.13245	0.6
297.22043	0.4
299.23645	0.9
301.21558	0.6
313.27319	0.5
343.22794	0.4
386.13104	0.5
395.29465	0.4
399.25360	0.5
405.27762	1.1
423.28754	1.4
441.30438	0.4
497.32388	3.6
515.32007	100.0
516.32269	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	515.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
60.78742	1.0
67.01196	1.0
69.03411	1.4
71.55765	1.0
77.72514	0.9
85.02900	1.1
93.07078	1.2
100.11282	2.3
100.23194	1.0
109.10148	1.2
131.01837	0.9
136.07642	1.0
151.78267	1.0
178.05089	1.7
227.05299	1.1
239.11383	1.0
246.76196	1.0
249.14783	1.8
309.15396	1.4
393.18359	1.4
411.19910	8.5
429.20883	5.7
453.20892	11.2
471.21994	19.6
497.19974	7.9
515.21039	100.0
515.37677	2.9
516.21344	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	515.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.7
67.05492	1.3
69.07061	0.3
69.40208	2.5
75.17234	0.3
75.42313	0.3
79.05495	1.4
81.07052	1.2
83.08619	0.4
83.95701	0.3
85.02921	0.3
88.72779	0.4
91.05486	1.1
93.07042	1.7
95.08604	1.0
97.06439	0.4
97.10149	0.4
98.21476	0.5
105.07047	1.0
107.04944	0.4
107.08656	0.6
109.10175	0.5
117.07010	0.7
119.04905	0.4
119.08594	0.5
121.10176	0.6
129.07031	0.5
131.08562	0.8
133.10167	0.5
134.47444	0.3
135.11800	0.3
145.10146	0.7
147.04424	0.9
155.08562	0.3
159.11714	0.3
163.11137	0.3
210.34145	0.3
215.72205	0.3
263.62799	0.3
437.20947	0.4
447.35022	0.3
497.32614	0.5
515.29779	100.0
516.30060	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.4
55.05506	1.8
59.52261	1.1
68.57541	1.3
69.03425	1.9
70.06599	2.6
71.56854	1.6
83.48913	1.2
85.02904	3.1
86.09700	1.5
86.98688	1.2
95.04967	3.7
100.11250	7.7
119.04938	1.3
127.03989	1.3
133.10155	2.3
138.09258	1.3
147.11661	1.2
161.91640	1.2
173.13203	1.8
178.05014	8.0
182.15353	1.4
218.30739	1.1
245.06445	1.6
249.14709	1.6
267.15768	2.9
289.05402	1.4
291.14594	2.8
309.15594	4.1
321.15546	1.7
351.16693	1.7
411.19702	7.1
429.20822	7.9
453.20810	14.0
471.22021	15.6
482.09845	1.2
497.19955	100.0
498.20834	2.3
515.21069	59.4
515.37933	8.5
516.21381	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07088	23.4
59.06118	11.2
67.05515	12.2
70.06573	4.0
70.75400	9.2
71.08634	21.9
79.05492	27.6
81.07058	8.2
82.85703	3.7
83.08592	6.1
85.10181	11.4
88.07613	7.1
91.05468	5.7
93.07053	25.1
95.08609	11.6
97.10187	4.7
99.61447	3.8
102.09179	6.3
105.07050	8.8
107.08611	15.3
109.10156	5.4
121.10149	14.7
131.08604	8.1
149.09624	65.0
175.74464	4.3
194.78583	4.6
202.72911	4.1
223.13278	12.9
231.64676	4.2
256.26389	8.2
257.26822	10.3
283.26291	4.9
284.26675	15.0
285.26761	4.9
313.27405	100.0
318.83835	4.6
514.51025	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	515.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93528	3.6
55.93821	1.3
56.01196	1.4
65.54552	1.4
67.05505	3.0
69.03428	3.2
69.07062	2.6
70.12016	3.6
70.12410	3.7
70.88776	1.5
70.95868	8.9
72.93781	5.7
81.03422	2.5
81.07078	7.9
85.02884	2.6
90.94823	4.1
91.05467	6.7
93.07043	5.3
95.04972	1.9
95.08595	8.3
97.02882	1.5
97.19209	1.6
98.21404	2.2
105.07043	8.2
107.08612	9.7
109.02888	1.9
109.06534	2.4
109.10149	3.4
119.04948	3.0
119.08571	6.2
120.18961	1.5
121.10151	8.2
123.11739	2.3
128.96376	1.7
130.97916	3.1
132.95836	9.7
133.10159	7.4
135.11674	6.1
137.13264	2.6
142.97891	2.1
144.95850	1.9
146.97411	2.2
147.04446	6.3
150.96936	3.2
153.05333	1.6
158.97418	5.0
166.97902	1.9
174.96877	4.1
177.16370	2.3
180.99458	2.6
186.96815	2.0
191.05261	2.1
192.99400	2.5
193.03078	2.3
195.00996	3.2
205.06714	3.9
207.00916	2.3
207.04710	3.4
209.02542	2.9
211.04115	4.4
213.02187	1.6
221.02382	1.6
223.04114	2.3
225.05681	8.8
231.13997	2.0
234.98961	1.8
237.02036	5.2
240.10603	2.7
247.07784	5.8
249.05757	5.3
251.03557	2.6
251.07298	9.2
263.07266	6.0
265.08865	26.3
267.10455	47.5
277.00003	2.0
283.09924	60.9
285.11493	100.0
286.11713	3.9
306.11511	3.9
308.12994	6.2
309.11429	3.0
327.12500	7.5
411.14798	3.5
429.15778	39.0
471.16678	16.9
515.14594	3.8
515.21075	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	513.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61562	1.6
53.03959	3.1
55.01869	4.4
55.05518	79.4
57.03441	16.2
57.06820	2.9
57.07082	38.0
57.49371	1.6
57.99150	1.7
59.93929	1.8
65.03926	2.0
67.05510	58.5
68.93407	1.6
69.03417	2.0
69.07073	100.0
70.06584	3.1
70.94091	1.5
71.04989	6.3
71.08643	18.6
71.44659	1.5
72.93777	2.9
73.06555	5.3
78.87348	1.7
79.05499	34.6
81.03387	1.6
81.07066	67.7
83.04981	7.4
83.08628	65.8
85.06555	6.5
85.10191	7.3
88.07625	4.6
89.06026	2.9
90.94835	3.1
91.05500	9.5
93.07052	49.4
95.08617	80.9
97.06540	22.6
97.10176	40.0
99.08076	4.8
101.06011	2.5
102.09155	3.8
105.07059	3.2
107.08607	29.1
109.10167	39.2
111.08089	17.0
111.11742	14.5
113.09645	4.1
115.07587	4.8
119.04974	4.2
119.08620	3.2
121.10146	51.6
123.11710	11.5
125.09645	15.3
129.09138	5.6
129.72937	1.7
135.11705	38.2
137.13263	3.8
139.11172	13.0
143.10693	2.9
147.04399	5.4
148.13165	1.5
149.13277	14.0
153.12767	6.0
157.12291	2.9
161.13251	1.8
163.28928	1.7
167.14326	5.7
175.14783	1.5
177.16389	29.9
191.17960	21.6
193.15878	2.6
195.17465	35.1
209.19012	31.6
212.08333	2.0
212.27257	1.6
213.18488	8.9
227.20082	8.9
231.15916	7.4
256.26425	5.2
257.26654	6.3
269.17932	2.9
269.21191	13.7
283.22675	9.4
283.26382	4.6
284.26584	9.5
287.22272	2.3
293.11804	3.0
295.13651	3.0
309.15009	3.0
313.14615	7.2
327.16080	3.3
331.15799	1.8
385.34720	2.2
403.35822	16.7
421.36801	25.3
439.37857	4.6
467.24716	2.6
495.40826	15.6
513.41388	32.9
513.50714	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	513.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.2
55.01862	3.3
55.05516	68.5
57.03225	1.6
57.03444	17.9
57.07079	29.5
67.05511	36.2
69.07074	100.0
70.06579	6.8
70.12567	4.1
70.12979	6.7
71.04977	4.0
71.08265	2.6
71.08634	18.0
73.06528	2.4
75.04465	5.4
79.05499	17.4
81.07063	35.4
82.45153	1.7
83.04965	4.4
83.08133	3.5
83.08623	56.6
85.06546	5.8
85.10181	9.3
88.07639	8.5
89.06010	4.1
91.05470	6.6
93.07056	29.5
95.08615	54.7
97.06535	16.8
97.10175	42.7
99.08099	4.6
100.73152	1.6
101.06009	2.4
102.09158	6.4
107.08604	21.0
109.10151	18.2
111.08099	11.5
111.11738	13.0
115.07549	3.1
115.11122	1.8
121.10148	30.2
123.11721	5.8
125.09637	10.5
125.13279	2.2
128.27104	1.7
133.08627	2.8
135.11707	16.4
137.13231	2.8
139.11182	9.6
143.10620	2.1
147.11624	1.5
153.12761	2.7
153.16339	1.8
177.14995	3.4
177.16411	41.7
195.17476	33.1
197.18997	2.5
213.18576	10.5
256.26318	12.4
257.26688	12.7
269.21133	66.0
283.26324	13.5
284.26633	14.0
287.22134	17.5
301.23691	12.9
328.20563	2.1
338.11166	1.9
495.40298	6.4
513.41425	36.7
513.50574	55.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	5.2
55.05503	13.6
57.03437	10.6
57.07066	4.6
61.02914	19.2
67.05508	40.6
69.03417	8.0
69.07079	22.4
69.23827	7.5
69.24168	46.0
73.02930	8.9
79.05493	35.1
80.32932	4.4
81.03409	8.1
81.07070	45.2
83.08625	7.3
85.02902	16.1
91.03987	7.5
91.05487	38.5
93.07054	51.6
95.04961	4.6
95.08587	29.7
97.02882	10.3
97.06552	5.1
105.07043	44.0
107.08596	33.9
109.10160	15.4
111.08139	4.5
117.07047	11.1
119.08579	41.5
121.10165	25.7
123.11724	10.3
129.06972	6.0
131.08566	17.7
133.10138	27.3
135.08034	5.1
135.11678	21.2
139.08650	4.6
143.08607	6.4
145.10152	18.7
147.04424	5.3
147.11693	26.3
149.13254	18.5
151.97107	3.5
157.10135	10.1
158.55528	4.7
159.11707	13.7
161.13263	22.6
163.14792	5.1
169.09988	6.4
171.11623	7.6
173.13239	10.1
175.11084	5.5
175.14865	13.6
177.12741	4.4
181.71881	4.0
185.13310	10.0
187.14915	5.9
199.14766	4.5
201.16379	5.1
231.21095	8.6
241.19559	24.5
259.20609	44.7
268.06735	4.6
277.21548	10.6
333.23770	5.1
349.23669	5.4
351.25311	100.0
367.14355	6.1
403.25241	5.4
441.26123	6.6
495.29315	5.2
513.30634	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	513.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	14.5
57.03432	4.4
61.02925	16.3
67.05522	32.2
69.03421	6.5
69.07056	9.9
69.46400	13.6
69.46820	12.0
70.12360	3.1
73.02898	5.5
79.05497	34.6
81.03428	7.4
81.07067	39.2
83.08640	4.9
85.02908	16.9
90.80787	3.1
91.03972	6.5
91.05487	21.3
93.07044	48.9
95.08607	30.8
97.02912	7.8
97.10184	4.3
98.20795	8.0
99.08110	3.9
99.61357	3.1
105.07048	27.1
107.04950	4.0
107.08616	36.4
108.67845	3.1
109.06494	5.7
109.10168	11.2
115.83453	3.1
117.07034	11.5
119.08593	33.1
119.28609	3.2
121.10159	26.6
123.11636	4.5
128.06204	4.6
129.07053	5.9
131.08542	18.8
133.10141	30.9
135.11713	25.8
143.08580	7.2
145.10130	17.5
147.11716	21.0
149.13258	14.0
157.10124	9.1
159.11661	17.1
161.13268	20.7
162.91806	3.4
163.14795	8.7
169.10100	4.7
170.98763	3.2
171.10399	3.5
171.11691	8.4
173.13257	10.8
175.14867	5.9
179.14288	10.3
185.13315	9.4
199.14546	3.4
201.93263	3.5
205.35574	4.0
217.19592	4.1
229.40739	3.7
236.54721	3.2
241.19485	21.8
259.20587	53.1
277.21661	9.9
293.63937	3.5
299.20038	3.9
301.21844	4.2
333.24268	3.9
349.23801	6.2
351.25314	100.0
421.26065	4.3
495.29346	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95004	8.9
51.09745	9.5
51.88480	7.7
55.05511	18.4
57.03414	9.2
57.07073	9.8
61.02921	12.7
67.05505	56.6
69.03423	14.8
69.07066	24.3
71.14218	21.2
71.14576	9.8
79.05500	88.2
81.03448	12.7
81.07056	80.8
83.04984	13.5
83.08630	12.9
85.02885	26.7
91.05486	88.1
93.07050	100.0
95.04973	11.8
95.08633	56.2
97.02899	24.3
105.07049	97.8
107.08615	45.3
109.10160	19.1
111.04481	10.7
117.07005	29.6
119.08589	76.5
121.10140	38.5
129.07013	26.3
131.08601	53.2
133.10127	65.6
135.07971	8.7
135.11682	33.2
141.06999	10.9
143.08589	21.3
145.10118	43.8
147.11710	61.7
149.13243	25.0
157.10120	24.0
159.11697	56.0
161.09569	9.7
161.13280	31.1
171.11720	23.8
173.13304	27.0
175.14841	17.9
185.13240	21.9
187.14789	14.9
190.38148	11.2
211.14981	9.4
213.16255	11.0
241.19481	21.1
259.20676	65.0
267.21420	9.6
271.20599	13.8
275.19901	15.0
277.21530	10.5
283.20743	9.0
301.21585	14.0
313.21454	13.1
349.22073	10.0
351.25427	49.3
367.22711	22.5
375.82584	8.5
385.23828	34.4
385.55099	8.6
403.24719	36.5
421.25955	69.0
500.50970	9.7
502.32263	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	513.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
62.79051	0.1
63.02421	0.1
65.03940	0.9
69.03432	0.9
69.64050	0.8
91.05487	8.3
96.73257	0.1
97.01456	0.1
97.02884	0.2
98.20818	0.2
119.04951	19.8
127.03934	0.6
130.06438	0.1
132.08115	0.3
144.99536	0.1
147.04417	100.0
148.04758	0.7
159.09198	0.7
165.05443	0.4
186.85789	0.2
268.58069	0.2
291.08670	0.5
309.09702	1.2
504.42947	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	513.1872
Annotation	Pumiloside
Peak:m/z	Relative Intensity
50.14876	0.4
54.21766	0.4
58.25880	0.4
62.20087	0.4
65.03929	0.9
67.22164	0.3
69.03436	0.9
70.39239	0.4
70.82529	1.0
71.53881	0.4
72.81807	0.4
91.04963	0.7
91.05486	8.6
102.74476	0.3
108.58360	0.4
119.04956	19.1
121.58834	0.4
127.03876	0.6
147.04420	100.0
147.33658	0.4
148.04765	1.3
159.09200	1.6
173.10539	0.4
179.67554	0.4
309.09683	0.4
351.13608	1.1
426.50363	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93528	1.9
59.84705	0.7
66.16449	0.7
67.05508	1.5
69.03425	1.3
69.07081	1.2
70.32182	2.6
70.95847	2.4
72.93780	2.4
79.05489	1.4
81.03384	1.2
81.07048	2.0
85.02882	1.5
87.30501	0.7
88.96899	1.5
90.26034	0.7
90.94817	2.1
91.05504	2.6
93.07056	3.1
95.04961	1.0
95.08612	2.4
105.07014	3.1
107.08582	3.1
109.06517	1.4
109.10160	1.5
119.04960	1.2
119.08589	7.1
121.10146	1.5
123.08038	1.0
127.03960	1.2
131.08569	1.1
132.95850	2.1
133.10121	3.9
135.11716	2.0
142.97946	1.2
143.08611	0.7
147.04428	4.4
147.11684	1.2
148.80594	0.7
149.13170	0.9
150.96942	1.3
158.97426	2.9
159.11674	2.0
169.52806	0.8
174.96925	1.3
175.14801	1.1
176.98438	2.1
196.09923	3.6
197.10770	2.0
200.98463	1.6
211.00528	0.8
211.12311	8.7
212.13058	1.4
225.05695	1.4
229.06804	0.9
231.04774	1.2
233.60828	0.7
237.02078	0.9
239.03702	1.0
239.07214	4.5
247.07921	1.4
249.05795	11.4
251.03790	4.3
258.98975	1.8
264.04437	3.2
265.08853	48.4
267.06808	12.7
268.07510	2.1
277.00037	3.3
283.09915	100.0
284.10318	1.5
287.77866	0.8
297.11624	0.9
303.04858	0.8
306.11560	7.2
325.10858	1.6
409.12943	1.4
427.14188	19.8
469.15167	9.0
513.25079	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	513.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03429	1.1
55.77102	1.1
56.96569	16.5
68.99791	2.7
69.03429	1.9
70.98109	2.6
71.55893	1.4
84.96034	4.1
85.02895	2.3
88.99178	1.5
91.05476	2.7
98.97583	29.9
101.00879	1.4
110.97569	11.4
111.03732	1.2
111.04482	1.4
112.99090	2.1
113.71265	1.0
116.98617	14.5
119.04929	3.2
120.08106	4.2
128.98605	16.4
131.00182	3.6
131.01889	2.8
133.01677	1.7
133.06477	1.3
134.99661	4.4
135.04401	1.3
140.98596	1.3
143.00198	3.7
144.98077	2.7
145.01726	1.3
145.02809	1.5
146.99678	9.9
147.03271	11.8
147.04422	9.5
149.01219	1.8
155.01891	1.1
155.04872	1.4
158.99643	4.7
161.01227	6.7
161.06123	1.3
162.99171	2.6
163.02699	1.8
163.03928	10.9
165.00745	1.2
165.04390	10.1
166.08624	2.5
170.99640	5.9
171.05022	1.3
173.02998	1.5
173.06567	3.3
175.02789	3.4
177.00719	5.8
185.06523	5.4
189.00723	3.0
189.04333	12.8
191.07605	2.0
193.03818	2.8
201.00693	2.9
201.04274	2.4
203.07674	2.1
207.05415	5.7
213.04240	2.9
215.07697	1.7
217.03932	3.0
219.01772	27.3
219.05124	2.7
227.07730	2.1
231.05261	5.8
234.59978	1.0
237.00858	2.1
237.02826	51.3
243.05437	2.1
247.06061	18.0
249.06462	2.9
251.01997	1.3
251.04356	1.4
255.03894	3.2
275.09760	3.6
291.01730	1.2
291.07495	17.7
291.10788	2.2
293.10812	4.0
309.02991	2.0
309.08606	36.7
309.12042	2.0
327.04120	1.6
437.11771	1.7
441.06335	1.2
455.12292	100.0
513.13110	23.1
514.13159	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.4
55.01872	0.6
65.03930	0.3
66.72543	0.3
68.99792	15.0
69.03436	0.6
69.74239	1.7
70.39375	0.3
81.01862	0.3
81.03425	1.1
84.17422	0.3
85.02901	1.4
87.00822	0.9
89.03909	1.4
91.05491	2.5
103.05463	0.8
105.01919	0.4
107.04954	0.5
109.02885	3.3
110.03664	0.3
111.00816	2.7
111.04446	1.8
115.05445	2.4
117.03380	1.2
117.07012	1.9
119.04938	3.4
120.91848	0.3
121.06492	0.6
123.04426	1.9
127.03865	0.9
127.05448	0.9
128.06241	0.4
129.06975	0.8
131.04926	2.3
133.06499	0.5
135.04422	5.8
135.08041	0.4
137.02327	0.7
137.05978	2.6
139.05394	0.7
143.04924	3.7
145.02853	3.7
145.04842	0.2
145.06491	3.4
147.04414	14.4
149.05980	0.6
151.07576	0.6
155.04927	10.5
155.06038	1.1
155.57666	0.3
157.06470	1.6
159.03128	0.5
159.04385	2.4
161.05969	4.2
163.03914	43.6
164.04289	0.4
171.04401	0.7
173.05997	8.2
177.05411	1.7
183.04425	8.7
184.71835	0.3
185.05994	0.8
185.08397	0.3
187.03867	5.0
187.05273	0.4
191.07024	0.6
201.05475	15.6
203.07053	0.8
205.05022	1.3
206.97478	0.3
211.03906	2.7
213.05510	0.4
219.06516	6.1
220.06871	0.4
222.61418	0.3
228.08147	0.5
228.10211	5.5
229.04962	5.5
231.06531	7.1
247.06027	100.0
248.06393	1.4
265.14355	0.8
319.16196	0.3
368.26480	0.3
440.73233	0.3
469.11499	0.4
513.18988	0.4
513.26245	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.306
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	2.1
53.03953	8.1
55.01873	7.0
55.05516	14.7
56.89434	1.2
56.95467	1.2
57.03439	2.5
61.92160	1.2
65.03933	4.6
67.05508	50.6
67.05869	3.0
69.03420	3.3
69.07073	7.4
71.04990	2.9
71.57501	1.4
73.45311	1.4
73.92958	1.3
79.05498	71.3
81.03426	18.4
81.07064	30.6
82.39560	1.2
83.04989	14.5
83.08607	5.5
85.06549	3.0
91.05487	100.0
93.06463	2.9
93.07044	49.3
95.04974	25.8
95.08047	2.3
95.08612	24.1
97.02879	3.4
97.06532	9.5
97.10146	1.6
103.03927	1.7
103.05466	9.1
105.03398	1.5
105.04499	2.3
105.07043	43.8
105.07755	2.7
107.04961	10.5
107.08601	14.9
109.06491	6.8
109.10157	3.1
111.08068	1.9
115.05450	8.4
117.07033	36.8
119.08586	47.2
120.09943	1.3
121.06541	7.4
121.10152	4.8
121.15707	1.4
123.08073	8.6
128.06236	18.8
129.07013	68.3
130.07709	1.9
131.08575	17.9
133.06512	3.1
133.10133	10.4
135.08028	4.4
135.11700	2.2
141.06992	11.0
142.07802	2.7
143.08560	23.5
145.06514	4.4
145.10141	11.4
147.08055	27.5
147.11691	20.5
149.09674	2.1
152.06229	1.9
153.07002	3.5
154.07661	1.7
155.08553	4.3
157.06558	1.5
157.10126	8.0
159.11713	3.1
161.09618	5.2
161.13252	9.4
163.11195	2.1
165.07028	3.0
166.07802	1.6
167.08572	12.4
169.10117	12.9
171.11697	24.8
179.08565	1.4
179.14337	1.9
180.09332	1.9
183.11609	2.7
184.08824	1.4
185.09668	3.5
185.13271	16.1
187.11168	6.2
189.11273	1.3
189.12811	8.0
195.11726	11.0
203.14287	4.3
205.12227	1.5
207.13768	9.5
213.12762	28.9
231.13753	9.3
249.14803	2.5
281.17477	14.7
287.16226	1.9
309.17139	2.0
332.05124	1.5
335.18317	2.0
374.29794	1.5
493.29459	3.7
511.29422	43.5
512.29211	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	12.3
54.72478	3.2
55.01862	16.9
55.05510	19.5
57.03422	15.7
59.61677	3.3
61.02933	29.8
67.05508	27.4
69.03441	26.2
69.07074	32.2
69.91187	20.5
71.04955	3.7
72.73757	3.4
73.02901	15.5
79.05500	34.4
81.03448	24.4
81.07063	61.3
83.04965	13.1
83.08604	13.2
85.02914	25.3
91.03957	16.7
91.05487	47.8
91.65968	3.8
93.07053	31.9
95.01318	6.7
95.05000	8.6
95.08610	28.3
97.02897	23.4
97.06546	21.8
99.04465	4.2
101.02367	6.0
102.64414	3.5
105.06379	6.1
105.07036	69.1
107.04959	21.6
107.08603	12.8
109.02885	7.5
109.06513	9.1
109.10155	9.2
111.08055	4.1
117.07018	14.5
119.08589	37.4
121.06465	4.7
121.10140	11.1
123.08142	4.6
125.09579	5.2
127.03928	13.6
129.05479	9.4
129.07005	6.6
131.08569	23.6
133.10135	39.8
134.32346	4.1
135.08087	4.1
135.11742	6.9
141.06918	4.9
143.07036	6.4
143.08603	4.3
145.10133	15.5
147.11665	20.7
149.09631	5.3
149.13246	6.8
157.08569	4.3
159.11699	11.0
161.13292	9.5
163.03940	8.0
163.11256	6.8
169.10150	5.4
171.11710	4.6
177.12715	5.9
179.14250	20.2
197.13474	4.4
241.14247	3.9
254.85590	4.7
257.18903	8.9
275.20090	100.0
349.23758	34.1
367.66895	4.3
493.28021	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	511.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	16.2
55.01874	15.3
55.05521	35.3
56.17365	6.0
57.03432	18.1
61.02917	8.5
67.05513	63.8
69.03437	47.7
69.07082	32.9
71.05006	14.5
71.57243	11.0
79.05504	51.9
81.03432	50.6
81.07066	100.0
83.04977	20.1
83.08621	15.3
85.02930	31.8
85.06538	12.9
91.05475	48.6
93.07055	58.5
95.04974	16.1
95.08618	75.4
97.02914	36.3
97.06518	16.7
97.10162	18.6
99.04472	15.7
105.01848	6.2
105.07036	54.4
107.04975	11.6
107.08592	41.1
109.02888	17.3
109.06538	15.3
109.10175	33.7
111.08082	14.5
117.07027	20.6
119.08607	45.5
121.06520	12.2
121.10159	32.1
123.08073	16.3
123.11700	13.3
125.05998	11.8
125.09644	10.5
127.03925	30.6
129.07011	13.6
131.08580	30.4
133.10141	34.2
135.08046	14.1
135.11684	24.9
137.06006	5.8
137.09590	7.5
137.13162	8.0
139.07639	6.5
141.05508	8.3
141.06911	6.5
143.08614	7.2
145.10127	28.8
147.04410	7.3
147.11661	26.3
149.09595	17.9
149.13269	11.2
153.05495	24.9
155.08574	6.6
157.10117	12.7
159.11720	25.3
161.09570	8.2
161.13303	11.2
163.11237	11.7
165.09120	18.0
167.07097	19.6
171.11681	12.3
173.04504	6.9
173.13283	13.2
177.09073	7.6
177.12715	5.4
187.07652	6.1
193.51932	5.9
194.89662	5.3
195.13680	7.5
207.10100	5.9
229.19543	7.4
257.19101	16.8
269.17593	9.9
275.20056	49.2
275.90924	5.6
349.23785	42.5
413.21658	14.6
419.24500	6.8
429.30045	8.4
491.98779	7.7
493.27823	10.7
511.29269	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	1.8
57.03435	3.1
61.02927	2.0
68.72551	1.0
69.03444	7.0
71.55321	1.8
73.02907	1.2
76.41234	1.1
81.03407	2.0
82.32035	1.1
82.99875	2.8
85.02908	12.7
86.99327	1.6
89.03924	2.3
90.86878	1.3
91.05442	1.1
94.99825	1.4
97.02917	7.4
98.97591	3.6
101.00891	22.9
105.00362	1.4
109.02854	2.8
113.00880	6.2
115.02430	2.9
116.98654	2.2
117.03458	1.2
119.01933	44.9
119.04886	1.4
127.02425	3.7
127.03906	8.1
131.00256	1.9
131.01027	2.1
131.01920	26.9
133.03485	6.5
135.04425	4.3
137.01932	1.4
137.02975	3.8
139.02438	3.7
143.01920	33.4
145.03482	17.2
145.04959	4.3
147.01384	1.7
147.04404	7.5
149.02998	4.1
152.02461	1.6
155.01909	22.7
157.03516	15.5
161.02969	26.2
163.03905	15.6
167.01904	8.1
168.99837	14.4
169.03470	4.6
169.05292	5.4
170.99713	1.5
171.05038	3.2
173.02988	31.2
175.04572	5.0
177.02441	2.0
178.04916	3.1
179.01936	4.5
180.99835	3.0
185.02986	46.3
187.00931	15.0
187.04524	4.9
189.06029	1.4
191.04044	5.2
196.99338	10.8
197.01355	1.8
197.02994	16.8
197.99536	1.3
199.00917	7.3
199.04576	1.9
201.00781	1.8
201.02473	5.9
203.04001	18.6
205.02055	1.4
209.03053	1.3
213.02547	1.4
215.00420	33.5
215.03938	11.8
218.51974	1.3
219.01770	2.0
219.03629	3.9
221.05121	7.5
223.00980	2.3
227.00517	2.9
227.04050	8.3
229.01979	14.6
229.06750	2.8
231.03636	4.0
234.50204	1.3
235.06630	3.5
239.04063	2.4
241.01991	3.2
245.05107	100.0
246.05298	4.2
247.02985	28.8
247.06770	1.7
250.07684	4.7
251.00151	1.2
252.02751	1.7
257.05280	6.4
259.03055	13.0
259.08234	5.1
263.06131	11.5
269.08023	1.3
271.03055	11.4
273.08276	3.4
275.06229	13.9
277.04172	4.6
289.04013	14.5
293.07227	4.7
299.02478	11.8
303.05804	2.2
305.07104	7.0
313.04004	1.4
331.05145	36.8
333.05170	1.4
335.08209	3.3
337.09869	10.9
349.06229	41.4
365.09366	5.9
511.10510	5.5
516.11243	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82882	1.2
53.03942	2.3
55.01868	1.5
55.05511	13.9
55.55957	1.2
57.03431	4.1
57.07079	100.0
60.23666	1.3
61.02923	2.2
67.05505	27.6
69.03433	22.5
69.06721	1.9
69.07070	21.7
69.65857	9.0
71.05016	1.9
71.08633	79.5
76.01527	1.5
79.05476	2.1
80.18409	1.3
81.03423	15.7
81.07061	45.3
83.08620	33.1
84.97137	1.3
85.02907	34.6
85.06533	2.4
85.10187	46.2
89.05991	1.6
93.07047	1.6
95.08611	76.8
97.02894	23.5
97.10171	16.0
99.04462	9.8
99.11716	2.0
104.10751	4.1
107.80500	1.3
108.04523	2.0
109.02888	13.1
109.10165	31.1
109.96294	1.6
111.11717	3.9
113.13310	2.0
123.11723	12.4
124.99971	1.5
125.13283	5.2
127.03923	31.0
127.14846	1.4
137.13272	5.9
139.14781	2.2
145.04971	24.2
151.14766	2.0
153.54361	1.4
184.07385	4.5
201.28568	1.3
221.22578	3.4
239.23712	94.8
240.24107	1.4
257.24771	5.8
298.27609	1.7
313.27338	9.9
329.26880	2.9
341.26913	5.0
383.27927	50.9
401.28986	96.3
405.08505	1.8
429.33658	1.5
436.37769	1.5
439.14938	1.4
507.33871	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26005	1.1
65.03935	1.1
65.13010	1.1
69.44225	9.2
85.69592	1.5
91.05488	11.4
95.08598	1.4
119.04955	23.1
147.04419	100.0
151.72647	1.1
286.78793	1.4
329.27014	1.2
475.30487	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	510.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00143	0.8
55.05504	1.1
56.05050	0.8
57.03415	1.6
57.07081	9.1
58.06599	1.5
60.08170	18.2
67.05493	3.3
69.07058	1.2
69.93305	4.3
71.07368	7.4
71.08628	6.3
79.05466	1.0
81.07042	2.8
81.08163	0.8
83.08608	1.9
85.10174	3.2
86.09711	52.7
93.40427	0.8
95.08595	4.0
97.10185	1.3
98.98466	3.2
104.10752	100.0
108.10531	0.9
109.10136	1.7
119.04925	4.1
125.00012	26.5
147.04420	15.4
168.90967	0.9
184.07353	96.2
239.23613	4.7
258.11105	1.2
313.27393	16.2
327.28961	1.2
344.95789	1.1
349.69565	1.1
388.68533	1.0
433.26630	1.0
472.15201	1.0
475.30902	1.5
492.34399	10.3
510.35526	30.0
533.86957	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	10.0
64.04925	2.9
67.05532	3.2
69.07065	4.3
70.47755	10.9
71.08635	6.5
79.57623	3.1
80.38015	2.9
81.07075	6.4
83.08626	5.5
84.21431	3.0
85.10189	5.3
91.05448	7.2
94.55852	2.9
95.08598	8.4
109.10211	3.2
119.04934	18.4
122.61830	2.9
146.94063	3.3
147.04417	100.0
167.80759	2.8
239.23787	12.3
269.05130	3.0
313.27374	30.8
331.28391	3.6
393.27316	3.7
447.27502	15.3
462.82288	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	510.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.7
56.05038	0.6
57.07066	0.6
60.08162	1.9
65.03945	1.5
68.22218	0.6
69.07047	0.7
69.42107	4.6
71.07394	0.8
86.09708	5.7
91.04961	1.0
91.05490	12.5
94.12228	0.6
95.08577	0.9
104.10754	12.8
107.08556	0.6
119.04958	31.0
125.00014	4.4
147.04425	100.0
148.04767	0.8
151.57599	0.5
184.07372	12.3
221.08165	1.0
238.36580	0.7
249.29471	0.6
258.38867	0.6
298.78790	0.6
314.78452	0.6
462.14636	0.6
475.30554	5.8
492.34705	1.0
510.35364	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	509.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.05500	1.9
67.05187	0.8
67.05495	5.5
69.07061	1.8
71.56950	1.1
75.73741	0.6
79.05492	1.7
81.07059	5.3
83.04998	1.5
85.02899	1.1
85.06538	1.0
91.05472	1.4
93.07038	2.4
95.04999	1.0
95.08598	6.4
97.10178	0.9
99.08105	0.7
100.11211	0.9
105.07008	2.0
107.04931	0.8
107.08593	3.0
109.02837	0.6
109.06526	1.2
109.10142	6.7
119.08559	3.4
121.06489	0.7
121.10136	2.3
122.07286	1.0
123.11707	2.4
127.03915	1.0
133.10136	1.1
135.11668	0.8
137.09610	11.9
138.09944	0.7
145.10104	1.0
147.11749	0.9
149.09628	1.4
149.13278	1.7
151.07547	0.9
165.09119	100.0
166.09476	1.2
167.07048	2.6
167.09625	0.7
173.09520	0.7
175.11241	0.6
177.09070	0.8
205.12276	1.8
250.10678	0.9
321.24094	1.3
323.19565	0.6
339.25323	1.4
509.20123	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.0
55.05497	10.2
57.03440	11.7
59.88863	8.5
67.05488	14.5
69.03417	23.0
69.07063	14.3
71.04976	24.9
71.56611	13.0
72.34903	8.0
79.03247	8.7
79.05467	17.2
81.03411	12.8
81.07056	19.9
85.02905	65.6
85.06541	10.7
87.00822	25.0
91.05492	15.7
93.07023	18.5
95.04974	19.9
95.08569	10.9
97.02924	14.1
97.06511	8.0
97.82404	8.1
99.04453	30.8
101.05961	13.5
105.01827	13.0
105.07017	15.6
107.08592	33.3
109.02878	19.0
109.06509	53.4
109.10149	20.3
115.07607	9.9
117.51881	8.9
119.08608	19.2
121.10134	44.2
123.08080	21.1
127.03902	32.7
131.08607	12.7
133.10135	50.7
137.09602	24.5
145.04889	17.1
147.04321	9.2
147.11678	9.9
149.09593	23.3
151.11197	63.3
153.09094	10.2
159.02919	11.0
163.14824	16.9
172.18935	8.7
173.13258	18.1
191.14325	83.2
209.11803	10.2
209.15329	100.0
227.16374	63.2
228.10184	70.2
231.04971	13.1
244.09897	12.8
262.10730	16.0
285.12131	10.2
311.99658	9.1
312.10580	10.0
348.12747	23.2
406.51270	8.5
457.20587	27.0
510.26593	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	3.0
55.01873	2.5
55.05512	10.8
57.03436	5.6
57.07075	2.1
65.83707	2.0
67.05506	5.3
68.99788	3.1
69.03426	13.5
69.07056	3.3
71.05002	4.5
71.11230	2.8
79.05499	3.6
81.03422	8.3
81.07045	14.4
83.04983	10.9
83.08624	8.2
85.02918	28.7
87.00834	10.2
91.05488	4.4
91.62341	2.6
93.07062	11.7
94.55250	2.0
95.04997	12.7
95.08619	5.3
97.02918	11.2
97.06527	5.3
99.04480	9.1
105.01866	13.4
105.07046	7.8
107.08594	17.4
109.02889	13.2
109.06526	23.4
109.10152	12.7
111.08118	4.5
119.08596	7.2
121.10154	17.5
123.08074	3.4
123.11699	4.9
127.03936	19.7
131.08582	5.7
133.10124	33.5
135.08044	3.7
135.11723	5.2
136.55170	2.0
139.11185	7.5
145.04974	6.6
145.10133	5.6
147.04388	2.4
147.11690	4.2
149.09657	2.8
149.13266	8.0
151.11191	13.9
153.09142	8.4
158.10904	3.4
163.14894	6.9
167.14415	12.0
173.13289	24.6
191.14325	42.2
194.74821	2.1
209.15384	100.0
226.81271	2.2
227.16481	8.5
231.04980	8.7
249.53674	2.2
266.24930	2.3
410.82849	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	509.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.7
57.03448	1.4
67.05518	8.2
69.03430	1.5
69.07069	3.5
70.66951	4.6
71.05000	2.0
79.05482	2.7
81.03397	1.5
81.07060	10.8
83.08607	2.7
85.02913	3.2
85.06558	1.7
91.05482	3.7
93.07046	5.4
95.08607	10.4
97.10233	1.4
99.08119	1.7
105.07012	4.0
107.08598	4.5
109.10174	8.9
111.08072	2.7
113.28616	1.4
119.08591	6.3
120.08105	3.9
121.10191	3.2
123.08089	1.8
123.11740	3.8
125.09685	1.5
127.03885	1.9
133.10117	2.2
137.09604	13.3
137.13213	1.4
139.07610	1.8
145.10130	2.2
147.04420	3.1
149.13268	1.5
159.11700	1.7
165.09125	100.0
166.09413	2.3
167.07004	2.4
169.05373	1.4
177.08972	1.6
183.00038	1.4
189.16359	1.8
207.17523	2.4
225.18533	3.1
243.19560	2.9
396.19217	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	509.3116
Annotation	Carthamoleusterone
Peak:m/z	Relative Intensity
53.03933	1.1
55.05526	2.9
62.21330	0.5
67.01865	2.9
67.05515	5.6
69.03409	1.5
69.07042	2.4
71.04971	0.6
71.52461	0.5
71.56845	0.7
72.08122	0.8
73.64850	0.5
79.05503	3.3
81.03394	1.1
81.07063	7.1
83.01347	7.0
83.04932	1.0
83.08591	1.8
84.08133	1.5
91.05495	3.2
93.07066	4.0
95.04949	1.3
95.08612	6.1
97.02873	1.0
97.06496	0.9
97.10123	0.9
102.20750	0.6
105.06994	2.0
107.04937	1.2
107.08599	2.6
109.06494	0.8
109.10171	3.6
110.67572	0.6
119.08562	2.3
121.06512	0.5
121.10133	2.5
123.04406	1.1
123.08044	0.8
123.11675	1.9
125.05962	1.1
125.09634	0.8
128.06248	0.7
129.01842	1.5
129.06970	0.6
131.08612	0.8
133.06503	0.8
133.10112	1.4
135.04396	2.5
135.11726	1.4
145.10117	1.1
147.08014	0.9
147.11662	0.7
149.09610	0.8
151.03905	2.3
153.05453	2.0
159.11671	0.7
161.09732	0.8
167.07051	2.7
169.04892	0.7
173.09485	0.7
181.04973	5.2
181.38983	0.6
195.06534	7.0
197.04468	100.0
198.04823	1.5
198.84734	0.5
199.06036	10.9
203.10577	0.8
207.06499	1.1
209.08118	2.2
209.11734	0.5
213.03989	6.1
217.08821	0.6
220.96193	0.6
221.08099	2.4
223.09706	2.8
231.10332	0.6
235.09738	1.7
237.11311	2.5
249.11235	5.8
261.18259	0.8
263.12704	1.3
263.16614	0.9
293.17484	0.9
299.23376	1.9
303.18188	1.0
305.17560	1.0
323.18542	1.0
405.21838	0.6
423.23502	3.5
427.28534	1.5
429.30164	1.6
445.29443	7.4
455.28204	1.2
465.24588	18.9
473.28931	3.2
491.30054	33.1
492.31021	1.1
509.23755	54.0
509.31232	10.9
510.24213	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	509.3114
Annotation	Carthamoleusterone
Peak:m/z	Relative Intensity
53.03944	4.7
55.01871	1.3
55.05513	8.4
57.07067	1.3
58.27713	0.9
65.03938	1.0
65.62981	0.7
67.05508	11.7
69.03434	2.0
69.07062	9.7
79.05489	7.2
81.07058	22.5
83.01347	16.6
83.05003	1.7
83.08630	3.5
85.02906	0.9
85.06530	1.1
91.05470	4.0
93.07052	9.8
95.04961	2.0
95.08050	0.6
95.08606	17.3
97.02897	2.3
97.06528	1.8
97.10171	5.5
101.06019	1.6
105.07043	4.8
107.04990	2.8
107.08620	7.2
109.06535	2.7
109.10161	8.4
117.06984	1.0
119.04930	0.9
119.08601	3.4
121.06538	1.2
121.10150	6.3
121.10917	0.7
123.11732	4.6
125.09665	1.4
129.01839	5.6
131.08556	0.8
133.10141	1.8
135.04446	9.3
135.08076	1.0
135.11711	3.8
137.13280	1.6
139.11101	1.1
143.26749	0.9
145.10129	1.7
147.08107	1.5
147.11678	1.9
149.13268	1.9
153.05493	6.3
161.09683	1.0
163.03996	1.4
165.09184	1.2
167.07014	1.1
180.97527	0.8
181.04962	35.5
183.06540	1.8
195.06540	26.4
199.06038	42.3
203.10739	1.7
207.06506	4.1
209.08072	12.0
221.08044	3.9
223.09673	15.0
231.10168	1.6
235.09721	3.5
237.11224	15.8
249.11243	17.2
251.12859	4.0
263.12653	4.1
265.14447	1.4
275.12994	1.4
277.14487	1.8
279.15872	1.0
289.14474	1.4
291.15936	2.6
293.17560	1.3
305.17303	1.2
307.19070	3.6
317.17545	3.4
319.19113	3.7
335.18555	2.2
365.82999	0.9
421.97168	1.0
427.28470	3.8
429.30127	4.9
445.29471	22.9
446.30203	1.2
455.28058	3.9
473.29120	15.6
491.30063	100.0
492.30548	3.6
509.31168	58.3
510.31711	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3116
Annotation	Carthamoleusterone
Peak:m/z	Relative Intensity
53.03948	4.4
55.01868	1.4
55.05518	12.1
57.07078	1.8
63.26799	1.0
65.03940	1.8
67.05508	17.1
69.03423	4.9
69.07072	9.2
71.04984	1.7
71.08629	1.1
71.56438	1.6
78.07588	1.1
79.05482	10.2
80.04198	1.0
81.03405	1.4
81.07055	24.0
83.01344	16.4
83.04970	2.6
83.08616	4.4
85.02922	1.6
91.05478	7.2
91.77470	1.1
93.07041	15.0
95.04983	3.2
95.08048	1.8
95.08614	20.5
97.02882	3.4
97.06526	2.0
97.10152	4.9
99.26208	1.3
105.07013	6.3
107.04963	3.8
107.07393	1.5
107.08581	10.6
109.06537	3.0
109.10171	11.6
111.04491	2.3
111.08087	1.6
117.07030	1.3
119.04952	1.2
119.08581	6.9
121.06554	1.9
121.10146	8.2
122.09677	10.6
123.08120	1.9
123.11720	4.5
125.05991	1.5
125.09627	2.1
129.01837	5.3
129.07025	2.0
131.08591	2.9
133.10117	3.6
135.04420	9.7
135.08020	1.9
135.11705	3.4
137.05974	3.6
137.09601	3.0
137.13310	1.9
139.07564	1.7
145.10138	4.1
147.08102	2.0
147.11678	3.6
149.09621	2.3
149.13272	1.6
151.07533	2.5
153.05473	6.0
159.08075	1.9
159.11697	3.7
161.09599	2.1
163.03961	1.9
165.09128	11.1
166.09532	2.1
167.07054	3.7
173.13261	2.6
175.11153	1.9
181.04964	26.0
183.06505	1.8
184.60028	1.3
189.09087	1.9
195.06544	22.5
199.06024	45.1
201.16479	1.7
203.03424	4.3
203.10728	2.3
207.06520	3.0
207.10216	1.4
209.08023	6.8
219.10231	4.7
221.08211	2.5
223.09624	15.7
231.10138	1.4
235.09682	4.2
237.11206	13.8
249.11189	17.9
251.12917	3.8
261.11224	3.5
263.12802	2.5
265.14481	1.7
277.14316	1.7
280.33252	1.2
289.03253	1.1
291.15906	2.0
303.15869	1.9
307.19101	2.2
319.19086	1.8
329.17245	1.1
425.35468	1.5
427.28448	2.1
429.29993	6.2
443.28210	2.3
445.29572	3.0
447.30710	1.2
455.27792	12.3
464.21347	1.6
473.28870	21.1
481.24408	1.9
491.30057	100.0
492.30621	3.7
509.31091	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	509.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
55.01876	30.4
55.05513	26.1
57.03437	5.4
57.07077	5.5
59.79582	2.2
65.03927	2.7
67.05171	3.5
67.05511	65.0
69.03426	9.7
69.07076	17.5
69.45430	5.8
69.45827	14.1
71.04993	9.0
79.05500	36.5
81.03426	5.2
81.07063	48.6
83.01305	2.5
83.04988	88.6
83.08634	16.1
85.02905	12.6
85.06546	10.4
91.04939	3.4
91.05480	23.9
93.07053	57.4
95.04975	11.7
95.08604	33.4
97.02890	4.6
97.06538	21.6
97.10165	9.2
99.04465	10.4
99.08098	8.2
100.11253	6.4
103.05491	2.5
105.07034	15.8
107.04969	7.9
107.08598	37.5
109.06522	6.9
109.10165	35.4
111.04449	100.0
111.08096	42.8
117.07027	10.8
119.08601	21.0
121.06526	8.2
121.10153	41.4
123.08100	6.6
123.11722	6.7
125.05988	10.6
125.09669	3.7
127.03929	4.5
129.05498	3.5
129.07002	6.5
131.08560	17.0
133.10161	12.2
135.08086	7.4
135.11710	45.7
137.05954	4.2
137.09644	8.4
145.10135	26.1
147.11682	12.9
149.09676	13.1
149.13341	4.3
151.07570	3.7
151.11153	4.1
153.09084	2.8
153.12752	73.6
155.08575	7.2
157.10045	2.3
159.11723	2.4
161.13239	4.0
163.11208	65.2
163.14941	2.4
165.09134	5.3
167.07080	7.7
173.09612	15.2
173.13277	3.3
181.12248	78.2
182.15419	3.1
189.09192	3.2
191.10698	67.7
191.12323	4.6
203.10730	2.8
209.11717	17.0
227.12810	98.9
283.15393	83.2
313.11475	2.4
415.63324	3.1
429.30215	3.4
473.29092	7.0
491.26663	8.4
509.27502	80.9
509.39981	5.1
510.28302	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	509.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	2.7
51.02357	2.7
53.03939	3.7
55.01873	29.7
55.05518	30.6
57.03415	5.0
59.05005	3.6
64.03592	2.6
65.03945	4.6
67.05171	4.4
67.05508	66.3
69.03414	11.9
69.07072	21.6
71.04983	7.9
71.56520	4.1
73.02917	3.5
77.47378	2.6
79.05064	3.7
79.05495	35.5
81.03419	8.6
81.07059	53.1
81.47270	2.7
83.04481	4.9
83.04982	91.7
83.08619	14.6
85.02910	10.9
85.06548	8.6
87.00798	3.4
91.05488	26.9
93.07049	60.5
95.04964	11.6
95.08608	37.5
97.02827	3.4
97.06533	23.8
97.10165	9.6
99.04448	13.4
99.08093	5.6
100.11236	8.0
103.24017	2.3
105.01862	2.7
105.07044	16.2
107.04932	8.8
107.08599	37.7
109.02903	5.4
109.06512	7.2
109.10165	33.3
111.03696	6.1
111.04446	100.0
111.08079	34.8
117.07018	12.2
119.08598	29.9
120.42064	2.7
121.06532	8.3
121.10160	38.6
123.08073	10.2
123.11696	6.8
125.06001	14.3
125.09638	3.0
127.03893	8.1
129.07014	4.9
131.08568	13.9
133.10123	9.9
135.08075	4.6
135.11702	40.2
137.05957	6.0
137.09648	8.4
139.07538	7.7
143.08591	2.6
145.10149	33.3
147.11693	15.2
149.06096	2.8
149.09610	13.8
149.13293	4.4
151.07568	7.3
153.05508	2.7
153.09125	4.6
153.12764	60.1
155.08557	6.9
155.22064	3.0
157.10178	3.9
159.11723	5.8
161.09760	4.2
163.11198	70.0
165.09067	7.5
165.12717	3.6
167.07071	7.5
171.11810	3.1
173.09621	15.7
175.07574	2.7
175.11154	4.2
175.14822	3.1
177.09180	2.7
181.12244	69.4
182.15465	5.2
189.09102	4.5
191.10692	69.4
199.06059	3.7
209.11674	21.2
227.12782	94.2
283.15396	82.8
427.28152	3.2
429.30090	3.7
473.29071	7.3
491.26492	5.5
509.27490	96.9
509.39978	5.7
510.27817	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	508.349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28616	5.1
55.05515	29.3
57.03446	9.1
57.07076	13.5
60.08146	12.4
67.05513	41.3
69.07078	48.7
70.45254	18.3
71.08627	6.3
79.05489	23.7
81.07063	45.4
83.08625	44.2
85.02901	7.4
85.88549	5.1
86.09724	42.3
92.92834	5.0
93.07047	17.9
95.08614	38.0
97.06542	11.4
97.10175	14.8
98.86279	4.8
104.10754	100.0
107.08607	17.7
109.10184	9.1
111.08080	6.0
117.53040	4.7
121.10147	46.7
123.11716	19.7
125.00021	29.9
135.11687	32.9
137.13237	7.8
149.13242	18.7
184.07356	81.2
199.06982	5.0
219.21080	45.3
228.40511	5.3
236.34537	5.8
237.22141	76.3
255.23242	19.7
311.25876	60.6
329.26898	23.1
508.34180	28.3
519.33081	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40545	2.9
53.03936	7.4
55.01861	4.0
55.05516	45.8
57.03427	9.4
57.07081	18.9
67.05173	4.5
67.05510	70.4
69.03436	28.6
69.06733	4.8
69.07074	69.6
70.75219	7.9
71.04981	8.5
71.08640	6.7
79.05501	35.7
81.03422	38.0
81.07063	100.0
83.04957	5.5
83.08158	2.7
83.08627	47.6
85.02908	27.4
85.10207	5.5
86.09705	6.5
91.05478	10.0
93.07045	49.3
95.04977	5.4
95.08609	70.1
95.79836	3.0
97.02900	29.2
97.06533	6.0
97.10171	33.2
99.04479	6.1
99.08072	4.0
103.03927	4.0
104.10725	5.4
105.07039	9.1
105.77708	3.0
107.08615	31.4
109.02899	7.4
109.06546	3.3
109.10153	26.5
111.04445	7.4
111.08090	9.4
111.11717	6.9
113.09657	4.8
119.08547	9.9
121.10150	55.9
123.04414	4.9
123.11697	20.0
125.09641	4.8
127.03930	18.1
127.11151	3.6
131.08566	6.6
133.10078	6.0
135.11678	43.3
137.13229	12.2
145.04991	14.9
145.10092	4.4
147.11681	7.9
149.13243	13.6
150.34798	3.2
151.14809	3.1
161.13264	7.0
163.14828	10.4
163.90970	3.5
171.11678	3.4
173.13297	3.7
175.14864	5.8
184.07339	4.8
191.14322	5.2
217.19479	5.1
219.21034	18.2
233.15347	4.6
235.20599	7.4
237.22157	75.6
249.22366	3.4
255.23169	5.6
265.21600	3.8
277.21661	4.3
279.23178	7.3
291.65350	3.5
295.22842	8.3
303.23248	7.4
307.22318	3.2
321.24207	6.8
327.23172	11.2
333.24179	3.6
345.24249	45.9
363.25330	55.3
372.00180	3.9
376.14197	2.9
381.26385	78.3
399.27438	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	507.332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02891	0.3
55.05497	1.6
67.05516	3.7
69.07057	1.1
71.56382	0.6
72.15946	0.4
79.05481	1.0
81.07059	4.0
83.04989	0.9
83.08566	0.3
85.02896	0.7
86.09726	0.4
90.61192	0.4
91.05479	1.5
93.07072	1.9
95.04986	0.8
95.08615	5.1
97.10186	0.8
105.07018	1.0
107.04933	0.5
107.08582	1.3
109.06491	0.4
109.10164	6.0
110.28617	0.4
111.08051	0.5
113.06013	0.5
113.09641	0.5
119.08601	4.1
121.06484	0.7
121.10163	1.2
122.07274	1.6
123.08088	1.0
123.11703	1.6
125.09651	0.5
133.10139	0.5
135.08095	0.7
135.11736	0.8
137.06027	0.5
137.09627	12.0
141.09126	1.3
145.10185	0.5
147.04398	0.5
147.11649	0.7
149.09641	1.0
149.13307	0.4
151.07565	1.3
151.11156	0.4
161.13257	0.8
163.03860	0.5
165.09126	100.0
166.09444	1.2
167.07181	0.5
169.08540	0.5
173.13225	0.4
174.10352	0.4
175.11157	0.7
187.09729	0.9
187.14777	0.4
189.12723	0.7
205.12332	0.7
337.23807	2.2
365.13940	0.5
489.32797	0.7
507.31012	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.5
58.54324	0.3
67.05510	5.6
69.03434	0.5
69.07074	0.9
69.42725	2.9
71.04961	0.5
77.03897	0.3
79.05499	0.7
81.03396	0.5
81.07062	4.5
83.04965	0.5
85.02895	0.5
85.06528	0.7
91.05483	1.7
93.07038	1.4
95.04964	0.8
95.08611	6.2
97.02890	0.4
97.06556	0.5
97.10181	0.6
99.04416	0.5
102.05705	0.4
105.07018	1.7
107.04958	0.6
107.08585	1.4
108.22117	0.3
109.02882	0.4
109.06480	0.5
109.10159	6.8
111.08134	0.5
113.06020	0.7
113.09632	0.9
119.08585	3.7
121.06497	0.5
121.10136	1.8
122.07349	2.3
123.08056	1.3
123.11687	1.7
125.09685	0.6
133.10130	0.8
135.11647	0.5
137.05965	0.5
137.09627	12.3
137.13281	0.4
141.09090	1.9
143.25656	0.4
145.10117	0.6
147.11768	0.4
149.01462	0.4
149.09624	1.4
149.13271	0.9
151.07521	1.5
157.08575	0.5
159.11705	0.6
161.13283	0.8
165.09125	100.0
166.09479	1.3
169.08606	0.5
173.13281	0.6
177.09053	0.8
187.09633	1.8
189.12723	0.5
195.06721	0.4
199.06125	0.6
203.10706	1.1
203.14418	0.6
205.12209	0.8
237.62837	0.4
239.58954	0.4
243.08696	0.9
337.23685	2.1
350.19299	0.4
431.71063	0.5
489.28250	0.4
507.29254	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.3
55.01871	5.5
55.05525	12.8
57.03430	2.9
65.03929	2.3
67.05508	26.6
69.07072	9.2
71.05006	2.7
79.05495	26.8
81.03397	5.8
81.07063	26.1
83.04985	14.6
83.08611	5.0
85.02879	2.5
85.06538	1.9
85.20711	1.4
91.05494	22.2
93.07056	28.2
95.04974	8.4
95.08611	24.9
97.06526	6.5
97.10134	2.1
98.21532	2.6
99.04465	1.9
101.06010	4.0
105.07035	21.1
107.04951	3.7
107.08589	12.2
109.06544	3.3
109.10162	19.5
111.04458	12.4
111.08053	5.1
113.09612	2.6
117.07007	5.2
119.08590	14.7
121.06496	2.4
121.10152	10.7
123.08054	2.1
123.11697	2.1
127.03954	1.8
128.06169	1.6
129.06995	5.2
133.10146	7.6
135.08011	3.5
135.11728	11.1
137.09612	13.7
139.07555	2.6
143.08569	5.2
145.10130	8.6
147.08038	2.5
147.11716	11.5
149.09622	7.6
151.07541	2.0
151.11195	2.2
153.06921	1.7
153.12749	5.3
157.10234	2.0
159.11676	4.0
161.09634	2.6
161.13252	3.8
163.11183	12.5
165.09128	100.0
166.09354	1.7
167.07063	2.1
171.11699	10.7
173.09625	3.4
175.14908	2.1
177.09123	5.9
181.12276	9.0
187.11218	2.2
189.09074	4.9
189.12767	5.2
190.09821	1.8
191.10715	11.9
203.10675	8.9
205.12244	18.7
207.13786	7.8
209.11790	8.8
217.12248	2.1
227.12753	10.8
231.13878	2.5
281.17386	7.8
283.15411	22.3
356.90613	1.9
471.31033	4.2
489.27939	7.7
507.29395	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	507.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.9
55.01864	16.3
55.05511	33.4
57.03431	12.2
59.04997	4.3
65.03924	6.7
67.05181	5.6
67.05509	80.5
69.07051	18.0
69.56739	29.6
71.04982	7.5
73.06546	4.3
76.56839	4.2
79.05067	6.6
79.05498	97.7
79.75334	4.2
81.03425	23.8
81.07060	62.8
83.01338	11.6
83.04993	30.9
83.08604	15.6
85.02881	6.2
85.06548	6.8
91.04967	5.9
91.05489	84.5
93.07053	99.0
95.04977	27.5
95.08626	32.4
97.02869	7.8
97.06507	8.8
97.10175	4.5
105.04520	5.5
105.07042	57.0
107.04928	14.5
107.08600	30.3
109.06513	12.3
109.10151	9.3
111.04449	7.3
117.07021	17.7
119.08566	36.9
121.10120	10.8
123.08060	12.2
128.06204	5.5
129.06989	26.7
131.08560	8.4
133.10138	13.5
135.11688	16.7
143.08545	10.9
145.10144	29.6
147.08057	5.3
147.11690	50.5
153.12738	9.2
161.09616	6.3
161.13266	17.7
163.11176	38.1
165.09055	4.9
171.11681	34.7
181.12210	9.8
189.12761	14.7
191.10660	7.2
193.50917	3.9
207.13829	44.9
209.11728	11.2
227.12752	11.2
250.61798	4.2
281.17471	64.2
283.15417	65.3
403.96786	4.2
404.18793	5.1
489.28491	100.0
507.29587	7.6
532.60938	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	507.2957
Annotation	Mucronine A
Peak:m/z	Relative Intensity
53.03943	3.2
55.01865	1.2
55.05518	3.8
57.07087	0.6
65.03943	0.9
67.05514	11.2
69.03436	0.5
69.07083	2.9
69.63113	3.2
71.04984	0.7
79.05495	3.0
81.07073	5.5
83.01357	8.2
83.08606	1.3
85.06571	0.5
91.05490	2.0
93.07041	3.9
95.04980	2.9
95.08617	17.8
97.02913	1.4
97.10187	1.2
105.07032	2.1
107.04971	1.0
107.08606	3.5
107.67722	0.6
109.06539	1.1
109.10165	8.3
111.08092	0.6
113.09682	2.3
119.08581	2.5
121.10175	2.4
123.08089	2.1
123.11751	0.8
125.09660	0.6
129.01831	3.0
131.99947	0.4
133.06528	0.6
133.10129	2.5
135.04437	7.6
135.11717	0.8
137.05984	1.0
137.09615	2.6
139.11237	0.7
141.09088	0.5
145.10132	1.1
147.08067	1.0
147.11708	1.8
149.09726	0.5
149.13326	0.7
151.07555	0.6
151.11215	0.9
153.05472	3.1
161.13232	0.5
163.03938	1.6
165.09120	1.0
171.11725	0.5
181.03372	1.0
181.04977	20.2
183.06561	1.1
195.06552	14.9
199.06038	22.6
207.06630	1.6
209.08110	6.7
221.08124	4.4
223.09682	7.5
235.09634	2.7
237.11244	5.5
249.11324	4.0
251.12750	1.6
263.12869	0.7
263.71719	0.5
265.14465	0.5
291.15930	2.3
291.86908	0.5
293.17584	1.7
300.04004	0.4
303.16031	0.5
305.17560	1.6
307.19046	4.8
317.17569	0.6
319.19138	2.3
321.20905	0.7
329.17554	1.8
333.16968	1.1
347.18579	3.5
401.27069	1.0
425.26907	0.9
427.27869	0.5
443.27982	4.9
445.29504	1.8
461.29059	13.8
471.27567	2.9
489.28534	13.0
507.29590	100.0
508.30014	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	507.2959
Annotation	Mucronine A
Peak:m/z	Relative Intensity
51.89453	0.6
53.03946	2.9
55.01865	1.2
55.05262	0.7
55.05515	12.3
55.75991	0.6
57.03400	0.6
65.21328	0.5
65.87595	0.6
67.05508	8.6
69.03434	1.8
69.07067	7.4
69.86267	0.6
71.01661	1.5
72.69924	0.6
79.05501	3.2
81.06628	0.9
81.07063	7.1
83.01347	10.0
83.04919	0.6
83.08645	1.0
83.83231	0.6
85.02906	1.1
90.76831	0.7
91.05471	4.2
93.07050	5.2
95.04990	0.8
95.08610	6.9
97.02908	1.3
97.06536	1.2
97.10178	13.0
105.07027	3.3
107.04960	1.8
107.08602	5.0
109.06532	1.3
109.10168	8.6
110.09760	0.6
111.04471	0.6
111.08092	0.7
117.07014	0.7
119.08580	4.3
121.06532	0.8
121.10117	3.1
123.08131	1.0
123.11676	0.8
125.06017	1.0
125.09644	1.8
129.01846	4.1
131.08571	0.9
133.06572	0.7
133.10121	2.4
135.04411	7.6
135.11700	0.9
137.05989	1.2
137.09650	2.2
139.11153	0.9
141.59451	0.7
143.08560	0.6
145.10107	1.3
147.08046	0.7
147.11696	1.4
149.13284	0.8
153.05466	3.0
157.10118	0.8
159.11678	1.3
161.09692	0.8
161.13235	0.7
163.03885	1.3
163.07657	0.9
165.09126	2.7
167.07108	0.8
169.04968	0.6
175.07471	0.8
181.04959	20.3
181.06511	1.1
183.06578	1.6
189.09099	1.2
195.06537	17.4
199.06033	25.2
207.06592	2.8
209.08076	7.0
213.80560	0.6
217.08653	0.6
221.08112	9.3
223.09660	8.7
235.09662	3.6
237.11230	4.4
247.09804	0.7
249.11279	5.1
251.12910	1.2
259.09579	1.1
263.12683	1.7
266.38492	0.6
289.14386	0.8
291.15903	4.5
297.14737	0.7
303.16022	2.6
305.17450	8.5
307.19073	1.8
308.21628	0.6
315.15912	2.2
319.19061	5.0
333.17001	4.4
425.26959	0.8
443.28122	1.1
471.27664	3.4
489.28503	25.4
507.29572	100.0
508.29892	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2958
Annotation	Baconipyrone B
Peak:m/z	Relative Intensity
53.03946	1.9
55.01861	1.0
55.05516	11.0
57.03434	0.6
57.07073	0.6
60.18172	0.5
62.66738	0.6
67.01855	2.5
67.05504	4.1
69.03424	2.4
69.07074	4.4
70.96991	1.3
72.22890	0.5
77.92169	0.5
79.05505	3.5
81.03408	1.2
81.06634	0.9
81.07067	9.1
83.01348	6.5
83.04988	0.8
83.08607	2.0
85.02898	1.7
85.06570	0.8
91.05470	3.0
92.51458	0.5
93.07050	4.8
95.04967	2.0
95.08606	6.3
97.02885	1.4
97.06528	1.1
97.10175	12.4
105.07027	4.5
107.08595	4.7
109.06493	1.2
109.10162	4.5
117.07027	1.0
119.04956	0.8
119.08617	3.6
121.10142	2.4
123.04427	1.1
123.08068	0.8
123.11710	1.7
125.06024	1.0
125.09632	2.2
126.05531	0.8
127.03934	1.2
129.01840	1.2
131.08551	1.0
133.10138	2.5
135.04388	2.3
135.08081	1.4
135.11697	1.6
137.09668	0.9
139.11209	0.9
143.08513	0.8
143.10744	1.0
145.10109	1.5
145.55679	0.5
147.07983	1.2
147.11673	2.1
149.09642	1.3
149.13289	1.0
151.03900	2.8
151.07530	0.7
153.05473	2.1
153.09082	0.6
153.12709	0.7
157.10106	0.7
159.11710	1.6
161.13229	1.7
163.03871	0.8
163.11165	1.1
165.09125	2.2
167.07036	1.5
169.04932	1.0
175.11217	0.7
181.04929	5.3
183.06514	0.7
189.09033	0.7
195.06563	6.7
197.04471	100.0
198.04897	0.9
199.06033	11.3
209.08099	2.1
213.03946	5.5
215.10721	0.6
221.08043	2.8
223.09715	3.2
235.09727	1.6
237.11168	1.8
247.09671	1.9
249.11279	4.3
291.15930	0.7
303.16025	1.7
315.15817	1.0
319.19043	2.4
327.15762	0.9
345.16864	1.3
425.26920	1.5
427.28265	0.6
443.27930	2.4
453.26407	1.9
471.27429	9.3
489.28488	28.4
490.29062	0.8
507.22733	1.0
507.29660	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	506.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.9
55.05519	17.7
57.03440	4.9
57.07071	11.7
61.02935	4.0
63.89255	3.1
65.03912	3.3
67.05171	5.7
67.05513	90.4
69.03427	9.3
69.07084	21.3
71.08644	7.1
79.05499	25.2
81.03429	11.7
81.07063	100.0
81.08633	2.7
83.05007	3.6
83.08612	14.3
85.02911	13.2
85.06554	5.0
91.05495	32.1
93.07061	27.9
95.08616	71.6
97.02926	8.0
97.06544	8.1
97.10167	6.5
99.04483	3.6
99.08100	10.7
105.07043	13.7
107.08628	16.0
109.06460	3.7
109.10170	25.5
111.08134	3.2
113.09670	6.0
117.07012	4.7
119.08593	19.1
121.10164	18.9
123.08032	5.4
123.11741	14.4
123.12508	3.3
125.09645	5.8
127.11203	5.1
131.08614	8.3
133.10147	22.6
135.11687	24.1
137.13280	15.5
145.10162	5.1
147.11690	16.4
149.13251	9.3
151.14835	9.7
159.11670	5.1
161.13310	19.0
163.14833	4.7
165.12808	4.3
173.13268	5.1
175.14825	5.3
189.16293	3.5
196.66695	3.5
217.19536	49.9
227.14328	3.0
235.20596	53.3
243.21281	3.0
245.18886	4.3
247.20583	3.5
266.11057	3.4
271.20734	3.4
309.24197	11.2
325.21945	3.8
343.22687	17.8
361.23849	12.7
379.24963	16.5
397.25900	7.0
523.24609	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	506.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	8.2
53.04168	1.6
55.01887	10.6
55.05507	10.6
57.03445	9.6
57.07084	8.3
58.73412	1.9
59.22899	1.6
61.02927	9.2
67.05175	2.0
67.05512	30.4
68.99771	3.7
69.03082	3.6
69.03434	45.2
69.07059	7.2
70.38370	3.1
70.38774	3.3
71.04990	6.7
73.02917	6.6
79.05499	28.7
81.03426	27.4
81.07066	38.6
83.04978	3.7
83.08610	5.1
85.02916	97.8
85.06533	8.6
87.00839	52.2
91.03963	1.6
91.05481	12.5
93.07051	45.5
95.04973	2.7
95.08613	23.4
97.02901	35.2
97.10188	3.1
97.94521	1.7
99.04467	14.1
101.02355	1.7
105.01876	56.3
105.07025	9.6
107.08614	32.5
108.04465	2.7
109.02890	34.3
109.10178	13.5
115.03941	2.6
117.01875	3.0
117.07024	3.4
119.08595	9.9
121.06483	3.6
121.10156	41.1
123.08081	3.8
123.11734	12.7
127.03925	59.7
127.11105	1.7
129.01843	2.4
131.08575	9.3
133.10112	5.1
135.08047	6.0
135.11694	6.2
139.07530	3.9
141.12743	2.5
145.04962	25.4
145.10114	7.5
147.02831	1.8
147.11687	2.1
149.09601	4.5
153.09106	3.6
159.02917	10.7
161.13271	17.7
163.14839	100.0
166.42924	1.7
167.10689	2.7
177.16359	7.1
187.14830	23.0
189.03934	2.1
195.17432	7.8
205.15924	19.7
213.04068	2.5
223.14827	3.1
223.16907	24.7
231.05006	15.0
249.05984	7.8
484.60095	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06219	1.0
52.15330	1.0
55.01867	1.4
71.56165	2.0
75.56932	1.1
85.02924	2.9
91.05483	13.4
93.74856	1.0
103.03500	1.1
103.05454	2.0
106.06569	2.3
107.04967	7.5
117.05798	1.6
118.06575	8.3
119.04963	9.1
119.07332	77.6
120.08128	3.3
122.06036	3.7
123.04428	1.5
130.06514	3.1
131.04922	3.1
132.04507	1.3
134.06027	18.5
135.04355	1.6
135.06813	13.0
136.07599	26.3
146.06003	11.0
147.04456	5.3
147.06795	2.5
150.05527	4.4
160.07564	2.2
162.05553	3.1
163.07657	1.2
165.05533	2.1
165.06958	1.0
176.07094	4.6
207.08089	2.6
208.08888	1.2
210.06685	1.2
212.08525	1.2
223.07637	2.0
224.10393	1.2
225.09312	1.9
235.07530	3.7
237.11398	1.1
238.08783	1.2
240.10181	2.3
241.08623	2.6
251.07117	1.8
252.10191	15.6
254.11821	16.9
256.09674	5.7
264.10611	1.2
265.08710	1.0
269.12885	32.2
270.11282	2.1
280.09750	2.3
281.08340	1.2
284.48566	1.3
286.10803	3.1
298.10812	8.0
315.13403	100.0
319.09601	1.3
372.16040	1.4
403.24448	1.1
405.24216	1.3
415.16574	1.4
432.18909	1.4
433.17535	4.2
443.16248	2.5
458.66071	1.1
461.17038	12.4
478.19711	25.0
489.16614	7.4
506.19766	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	505.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92407	0.5
55.05513	1.2
60.34349	0.5
67.05509	4.1
69.03426	1.1
69.07059	1.1
69.36198	1.4
69.36599	3.8
76.92316	0.6
79.05494	1.4
81.07058	3.3
85.02892	1.0
85.06526	0.6
91.05469	1.0
93.07062	3.2
95.04974	0.9
95.08627	4.3
97.06516	1.5
105.07043	1.4
107.08601	1.9
109.06518	0.9
109.10163	5.9
113.05990	0.5
119.08594	3.0
121.06474	0.6
121.10141	0.7
122.07279	1.5
123.08080	1.0
123.11723	0.9
133.10106	0.7
135.11679	0.9
137.05995	2.1
137.09619	11.7
139.07555	0.9
141.09122	1.0
145.10117	0.8
147.08057	0.5
149.09637	1.4
153.12715	0.5
155.10648	1.1
161.13098	0.6
165.09131	100.0
166.09468	0.7
169.07614	2.2
177.09114	1.0
189.12753	0.6
191.10774	0.7
203.10739	1.1
205.12276	4.9
211.08704	3.7
229.09804	4.8
257.09219	14.0
257.11768	1.0
287.20050	1.6
289.21518	0.7
290.66592	0.6
305.21167	1.7
323.22241	1.2
335.22208	1.0
386.33347	0.6
469.29221	0.6
487.30380	1.2
494.79602	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12811	1.0
55.01878	9.2
55.05515	7.0
57.03440	7.5
57.06823	1.6
57.07083	20.8
65.03939	1.2
67.05518	13.1
69.07087	5.7
70.87640	1.2
70.87978	2.1
71.04986	1.2
71.08639	15.5
77.86893	0.9
79.03886	1.1
79.05505	10.9
81.03423	2.1
81.07072	13.2
83.04969	2.0
83.08636	6.7
85.10167	6.8
89.06026	1.5
91.05486	46.0
93.07069	7.8
95.04990	3.1
95.08609	9.5
97.10186	3.4
102.33619	1.4
103.05504	1.9
105.07043	54.9
107.04990	2.3
107.08588	3.5
109.06532	1.0
109.10183	3.3
115.05453	1.8
116.06266	1.5
117.07053	3.4
119.05032	1.2
119.08599	25.1
121.10222	1.7
123.11757	1.5
128.06271	1.9
129.05540	7.3
129.07010	14.9
131.08589	16.2
133.06529	2.5
133.10144	46.5
135.72630	0.9
142.07796	7.2
145.10121	1.3
145.94920	1.0
147.08064	3.6
147.11705	28.5
149.13278	1.4
149.51945	1.2
155.53976	0.9
157.10150	20.3
159.11650	1.2
165.38591	1.0
175.11205	100.0
176.11511	1.4
180.20277	0.9
224.94354	1.2
238.14555	1.2
239.23759	2.7
243.69522	1.1
249.14926	5.9
267.37347	1.1
313.27396	68.8
399.38483	1.2
505.38687	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	505.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30737	3.0
51.68609	2.8
53.03939	12.4
55.01855	3.7
55.05516	34.2
57.03438	13.2
57.07065	10.6
65.03957	4.7
66.34441	3.1
67.05164	5.6
67.05505	68.4
69.03455	3.8
69.07069	26.8
69.07420	4.1
71.04979	4.6
71.08630	8.0
79.05500	88.6
81.03423	29.2
81.07061	56.4
83.04998	21.0
83.08622	25.7
85.06536	3.3
85.10202	6.4
91.05485	74.3
93.07047	80.5
95.04971	31.6
95.08616	34.3
97.06544	6.1
97.10148	10.1
105.07044	56.1
107.04934	8.8
107.08588	22.5
109.06534	8.5
109.10154	8.8
111.08106	3.6
112.53773	3.0
115.05483	3.0
117.07012	10.5
119.08596	31.7
120.95258	3.3
121.06535	5.2
121.10125	9.2
123.08086	9.1
128.06207	5.0
129.07039	19.9
131.08603	5.0
133.10165	17.5
135.11641	4.8
143.08554	8.9
145.10123	16.5
147.08058	4.6
147.11694	47.2
161.09610	5.7
161.13231	15.9
171.11699	40.4
189.12759	19.7
193.12274	11.6
194.98531	5.1
195.00311	100.0
207.13811	42.6
213.00162	5.0
225.14821	4.6
279.15887	5.5
281.17493	57.8
311.25790	14.2
335.59256	3.5
487.30438	62.1
505.25278	12.7
505.38669	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	12.7
55.01875	2.3
55.05513	19.7
57.03430	7.6
65.03926	4.5
67.05508	65.5
69.07087	11.3
71.05001	4.0
79.05495	97.0
81.03423	9.9
81.07059	51.0
83.04987	15.9
83.08604	6.4
85.06531	4.6
86.63438	2.3
91.05483	82.0
93.07047	100.0
95.04976	27.3
95.08614	30.4
97.06534	7.7
97.10181	4.8
105.04520	2.7
105.07037	55.5
107.04949	5.5
107.08590	20.7
109.06528	8.3
109.10181	4.4
111.08080	2.8
117.06985	12.7
119.08584	31.0
121.06522	2.7
121.10151	4.5
123.08053	10.0
127.07471	2.5
128.06226	5.6
129.07004	24.6
131.08540	3.1
133.10123	12.6
135.11749	2.5
143.08595	11.2
145.10094	16.4
147.08043	2.7
147.11696	54.8
161.09662	7.1
161.13235	15.9
163.11253	2.4
171.11699	45.5
179.14325	2.4
189.12766	20.2
207.13824	53.2
225.14919	5.9
263.16602	2.5
281.17496	79.1
304.78790	1.8
384.23245	2.1
487.30573	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	505.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	10.5
55.01875	4.6
55.05287	2.2
55.05518	20.0
57.03440	11.0
57.35427	2.1
62.40887	1.7
65.03936	6.3
67.05513	67.6
69.07078	16.6
69.30603	1.8
71.05010	3.2
73.06555	4.4
75.24355	1.7
78.18079	2.2
79.05500	100.0
79.83878	2.1
81.03422	13.2
81.07066	54.2
83.04988	16.7
83.08629	8.2
85.06533	5.2
91.04907	2.2
91.05489	83.4
93.07055	87.6
95.04986	31.4
95.08607	31.7
97.06518	7.6
97.10172	6.8
103.05487	2.4
105.04506	3.3
105.07040	54.2
107.04979	7.5
107.08594	20.7
109.06526	8.9
109.10209	2.8
111.08088	4.7
111.74826	1.9
115.05487	3.1
117.07026	13.2
119.08593	31.6
121.06525	3.6
121.10156	5.6
123.08064	9.6
127.07526	2.3
128.06235	6.0
129.07025	22.6
131.08577	4.4
133.06467	2.2
133.10155	12.6
135.11705	4.1
143.08568	16.1
145.10130	15.5
147.04382	2.2
147.08075	2.5
147.11697	55.8
147.34004	1.9
161.09618	6.3
161.13292	20.9
163.11169	4.4
171.11703	42.7
184.87862	1.9
189.12758	20.5
207.13821	54.0
225.14961	6.3
281.14310	4.2
281.17502	81.4
329.30847	1.9
469.29868	2.3
487.30597	79.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	8.5
55.05504	14.0
58.73954	7.0
67.05503	16.8
69.03426	12.9
69.07055	11.6
69.56270	54.3
71.04987	22.6
79.05474	16.5
81.07063	89.4
85.02908	31.6
87.00820	23.7
91.05498	11.2
93.07045	33.2
95.08618	36.8
97.02870	14.7
98.20810	15.5
105.01886	7.6
105.07007	25.5
107.08599	44.4
109.02868	9.9
109.10140	24.8
114.12626	7.6
119.08600	47.2
121.10144	16.0
123.11668	20.8
127.03910	13.0
127.11157	12.9
133.10126	26.4
135.11708	100.0
145.66658	7.6
147.11702	25.3
161.13335	12.8
165.09117	9.2
174.38979	7.4
203.17915	55.8
221.19009	57.6
239.20065	10.5
368.77121	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	505.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	8.5
55.05504	14.0
58.73954	7.0
67.05503	16.8
69.03426	12.9
69.07055	11.6
69.56270	54.3
71.04987	22.6
79.05474	16.5
81.07063	89.4
85.02908	31.6
87.00820	23.7
91.05498	11.2
93.07045	33.2
95.08618	36.8
97.02870	14.7
98.20810	15.5
105.01886	7.6
105.07007	25.5
107.08599	44.4
109.02868	9.9
109.10140	24.8
114.12626	7.6
119.08600	47.2
121.10144	16.0
123.11668	20.8
127.03910	13.0
127.11157	12.9
133.10126	26.4
135.11708	100.0
145.66658	7.6
147.11702	25.3
161.13335	12.8
165.09117	9.2
174.38979	7.4
203.17915	55.8
221.19009	57.6
239.20065	10.5
368.77121	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	504.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.0
54.65586	1.0
54.97384	1.0
55.05518	9.8
57.03433	4.7
57.07071	2.0
61.77736	1.0
65.03923	1.0
67.05173	1.8
67.05509	26.5
69.07072	10.1
71.56519	1.4
79.05496	13.4
81.07059	26.6
83.08612	3.9
85.06539	1.3
91.05475	8.7
93.07051	18.3
95.04948	2.7
95.08056	1.5
95.08619	18.8
97.10159	1.6
99.08057	1.5
105.07057	6.0
106.25279	1.2
107.08584	7.5
109.10156	6.1
117.07015	1.4
119.08586	3.2
121.10164	5.5
123.11729	2.5
131.08585	2.4
133.10118	2.5
135.11658	1.3
145.10121	2.3
147.11732	1.4
149.95215	1.1
177.12798	1.2
247.90376	1.0
309.10904	1.3
317.53262	1.1
321.05508	1.2
332.29138	3.1
337.67816	1.1
363.28943	100.0
364.29282	1.5
459.32684	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	39.7
56.71699	10.5
57.03436	13.9
57.07085	69.3
60.22015	11.6
67.05512	33.9
69.07068	40.1
69.43578	100.0
71.08631	40.9
79.05505	29.0
81.07075	61.0
83.04993	15.0
83.08617	50.4
85.10185	24.3
91.05472	23.8
93.07063	32.7
95.08626	56.3
97.06555	17.4
105.07028	30.7
107.08595	15.8
109.10192	28.7
119.08580	14.4
121.10162	14.4
123.23721	11.6
176.25175	10.9
190.55847	11.4
213.11278	14.7
257.21033	64.4
287.22205	40.7
313.27179	17.4
412.32834	25.3
469.34283	24.8
481.05783	14.8
504.37259	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52700	0.3
53.03927	0.7
55.01854	0.6
57.03430	0.8
64.76668	0.3
68.99751	0.5
69.03084	0.4
69.03432	4.9
69.56724	0.5
69.57124	2.2
73.02936	0.6
81.03417	4.6
82.68246	0.4
85.02907	3.8
87.00836	2.2
97.02898	2.6
98.21531	0.7
99.04439	1.3
103.05451	0.9
105.01837	0.8
107.04942	0.6
109.02901	2.4
127.03922	2.9
129.06975	0.5
131.04924	1.2
137.05975	1.4
137.34372	0.3
145.04942	0.6
145.52541	0.3
147.04437	0.4
149.02365	3.4
150.02728	1.7
156.08063	1.4
159.02881	0.6
162.69838	0.3
163.03943	0.7
163.07579	1.3
166.06496	1.1
169.07619	10.9
169.09041	0.6
171.06799	0.4
183.09204	5.2
184.07582	4.7
185.07089	0.4
192.06735	0.7
193.05830	0.6
193.07617	14.2
211.08679	43.6
212.09067	0.5
221.08185	0.8
222.08466	1.1
229.09737	29.6
230.10246	0.4
239.08177	17.6
240.08652	0.5
257.09229	100.0
258.09677	1.8
258.95709	0.4
266.85794	0.5
363.24527	0.4
390.37686	0.3
419.14413	1.2
454.94598	0.4
461.15616	2.7
487.13385	2.1
505.14532	15.5
505.25961	0.6
506.14441	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24683	4.9
53.03917	4.5
55.05520	10.8
67.05499	18.5
69.03423	16.2
69.07072	14.4
69.96468	24.2
71.04990	10.3
75.25285	4.3
79.05508	28.3
80.15608	4.4
81.03413	14.8
81.07067	100.0
82.24119	4.2
82.81351	4.9
83.04969	6.0
83.08630	8.8
85.02902	14.5
87.00800	4.9
91.05473	19.9
93.07066	28.3
95.08617	35.4
97.02870	11.0
97.06530	6.0
98.21524	4.5
105.07044	28.4
107.08606	35.6
109.02883	5.2
109.10188	33.4
119.08590	34.5
121.10159	10.9
123.11699	20.2
125.09565	5.5
127.03920	19.0
127.11197	19.1
133.10132	24.2
135.11714	78.9
137.13248	5.0
145.05006	6.5
147.11679	21.8
154.51984	4.7
161.13274	14.0
182.42250	4.7
203.17984	41.5
221.19034	17.2
247.45361	4.4
504.30258	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	503.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	6.4
55.05514	65.8
57.03435	12.9
57.07068	18.0
66.74440	4.4
67.05511	56.5
69.07075	80.8
71.02123	6.5
71.02470	7.4
72.92666	5.2
77.44774	4.6
79.05493	39.6
81.07065	74.2
83.08626	69.9
85.06533	8.2
91.05469	20.3
93.07041	37.5
95.08621	60.9
97.06533	22.7
97.10177	48.6
105.07037	13.4
107.08614	39.1
109.10144	26.3
111.08091	16.3
111.11681	7.2
117.07057	6.1
119.08578	10.1
121.10151	36.8
123.11717	6.0
125.09636	16.4
128.73207	4.3
133.10133	10.1
135.11682	19.1
139.11183	12.5
149.13289	5.3
159.11749	6.8
163.14854	25.9
177.16357	22.7
181.15871	22.4
195.17366	22.8
199.16925	6.2
213.18394	7.0
240.47318	6.1
255.19646	18.6
269.21155	21.3
273.20621	100.0
275.20020	5.5
287.19641	6.4
287.22202	70.0
294.33310	6.5
299.06461	5.9
312.88580	4.9
375.32791	9.6
393.33517	12.6
467.37405	12.9
485.32446	7.2
485.38446	47.7
503.34866	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	504.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
55.05511	13.9
57.03421	2.5
67.05509	16.8
69.03429	5.1
69.07088	10.6
69.87276	9.3
71.04990	6.9
79.05499	45.7
81.03413	3.1
81.07056	26.3
82.58642	1.8
83.04981	4.2
84.55374	2.4
85.02898	9.4
85.06530	4.9
87.00836	3.3
91.05486	43.9
93.07047	45.5
95.04962	4.6
95.08625	15.6
97.02889	4.1
99.04448	1.9
105.01874	2.4
105.07037	45.1
107.08604	30.2
109.02911	2.4
109.06525	4.0
109.10164	4.9
117.07025	15.7
119.08586	59.7
121.10152	18.7
123.08038	2.2
125.63056	2.0
127.03925	4.8
129.07024	9.1
131.08589	11.0
131.19649	1.6
133.06491	2.6
133.10138	25.3
135.08083	2.3
135.11713	1.9
137.09578	2.6
143.08585	10.7
145.04942	3.5
145.10095	3.2
146.85419	2.0
147.08046	15.2
147.11661	9.5
149.09547	3.1
157.10139	5.2
159.11719	21.9
161.09645	11.3
161.13266	48.1
165.09085	3.0
170.40854	1.8
175.11200	8.2
175.14816	11.1
179.10808	4.0
185.13274	25.3
203.14320	44.2
203.17915	5.5
220.98398	1.8
221.15379	100.0
223.72728	1.9
231.05031	3.1
231.41026	1.9
238.18027	3.2
256.19116	8.3
260.30624	1.8
312.08017	1.7
456.66391	1.8
505.28540	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	504.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.7
55.01869	9.8
55.05507	12.5
57.03438	16.0
60.52003	2.8
61.02912	7.4
65.03906	3.5
67.05510	29.2
68.26136	3.2
68.99775	4.8
69.03434	36.2
69.07047	7.0
70.02777	6.7
70.03181	7.2
71.04981	10.0
73.02911	8.3
79.05102	3.2
79.05506	40.1
81.03429	37.5
81.06641	5.3
81.07060	56.8
83.04978	10.6
83.08623	5.2
85.02908	100.0
85.06553	4.6
86.25338	3.5
87.00837	41.1
91.05474	47.0
93.07050	37.2
95.04980	7.1
95.08618	45.7
97.02889	31.7
97.06538	5.0
99.04449	17.0
99.08094	18.9
105.01883	39.9
105.07040	62.0
107.04932	15.0
107.08608	25.1
108.40908	3.2
109.02876	25.4
109.06521	9.2
109.10163	17.6
113.09667	7.0
117.07013	12.4
119.08595	64.1
121.06535	8.8
121.10167	19.7
122.10482	3.4
123.08092	10.4
123.11708	4.4
125.05978	5.5
125.09646	7.0
127.03926	52.4
129.07001	6.1
131.08568	14.8
133.06508	7.1
133.10147	29.2
135.08084	6.1
137.05963	5.5
139.07552	7.2
143.08600	8.1
145.04976	13.0
145.10185	6.3
147.08078	10.6
147.11682	12.3
149.09639	5.1
151.07529	7.2
157.10144	5.6
159.02878	9.8
159.11687	20.1
161.09613	9.2
161.13257	84.2
165.09145	15.8
165.12747	5.2
167.05659	3.9
171.11743	3.5
173.13318	4.2
175.11230	6.5
175.14825	15.4
185.09773	4.0
185.13263	15.1
186.27238	3.9
190.47636	3.6
203.14366	27.4
214.17979	3.8
221.15382	17.8
231.05037	11.2
231.10362	4.0
239.16353	5.0
269.15485	4.2
387.96133	3.8
430.10721	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	503.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.2
54.78072	1.9
55.01878	9.2
55.05513	18.7
57.03438	4.8
57.07077	68.6
65.03939	6.1
67.05509	61.1
69.07078	18.2
70.91823	4.2
71.08632	47.1
73.04749	3.0
75.79187	1.9
77.03922	2.7
79.05496	100.0
81.03041	2.0
81.03421	20.2
81.07064	43.4
83.04978	8.9
83.08607	20.9
85.06524	4.6
85.10184	23.2
89.82117	1.7
91.05476	70.1
93.07047	29.8
95.04964	27.8
95.08611	39.1
97.06536	9.3
97.10170	10.4
103.05477	6.3
105.04516	7.2
105.06364	3.7
105.07027	39.2
107.04962	54.6
107.08611	14.9
109.06499	4.3
109.10148	18.2
110.03622	1.9
111.11749	2.6
115.05484	10.7
116.06238	4.0
117.06203	3.8
117.07023	51.8
119.08578	28.1
121.06499	5.3
121.10168	9.3
123.11747	6.3
128.06241	7.0
129.07011	18.9
130.07802	7.3
131.04922	6.2
131.08578	39.0
135.08015	2.8
135.11710	19.4
137.13278	2.6
143.08569	6.4
145.06494	12.5
145.10132	56.4
147.08047	18.8
149.09590	3.8
153.06969	3.0
155.06097	2.5
155.08592	11.9
161.09726	2.3
163.11189	69.5
167.05598	3.8
173.09622	45.4
175.83742	2.2
191.10696	37.8
197.13959	2.2
209.11766	8.8
239.23776	8.9
247.13361	6.3
265.14233	3.2
299.06226	6.4
313.27368	74.5
341.26877	5.5
344.97714	2.3
367.28152	2.7
405.03232	2.0
415.04034	2.2
437.32526	4.6
445.06314	2.0
503.30585	2.6
503.37408	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2487
Annotation	Platanionoside F
Peak:m/z	Relative Intensity
52.64460	0.6
53.03935	0.9
55.05498	0.8
55.88214	0.6
61.02942	1.4
68.39174	0.6
69.03434	14.0
69.07055	1.6
71.04993	1.3
71.06239	1.1
73.04750	0.9
79.05499	4.0
81.03422	1.7
81.07045	2.7
83.04966	0.5
85.02910	8.9
91.03931	0.7
91.05489	2.4
93.07054	8.5
95.01330	0.7
95.04974	1.6
95.08627	1.4
97.02922	3.5
97.06537	1.0
99.04466	1.4
103.05421	0.6
105.07038	9.6
107.04944	2.4
107.08610	1.4
109.06525	4.3
109.35735	0.5
111.04449	9.9
119.08570	2.7
121.06511	3.8
121.10153	20.6
123.08067	3.2
123.11709	2.1
125.09615	1.6
127.03965	1.3
133.10133	1.3
135.08025	1.4
135.11665	0.9
137.05983	3.6
139.07582	0.6
139.11220	1.1
145.04955	1.7
147.04468	0.9
149.09628	100.0
150.09987	1.4
151.03822	0.8
151.07507	0.6
151.11163	1.5
153.05479	12.5
157.56427	0.6
165.05432	2.9
165.12735	1.0
167.05615	1.3
167.10687	29.4
173.13287	1.7
189.09073	0.6
191.14294	10.0
196.09520	0.7
209.15378	6.4
271.33276	0.6
273.05856	0.6
275.16458	2.3
283.03281	0.6
291.09897	0.8
293.17468	7.0
299.06158	1.4
305.17563	2.5
307.12415	1.0
323.13000	0.8
323.18552	4.8
329.16016	1.3
341.19681	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.0
55.01878	2.4
55.05512	34.0
57.03437	3.7
61.02911	2.9
66.65417	2.2
67.05506	8.1
69.03435	9.5
69.07062	5.9
69.43096	2.2
69.53872	10.1
69.54294	6.7
71.05004	14.4
79.05497	6.4
81.03424	7.4
81.07064	19.2
83.04984	68.0
85.02905	22.3
85.06524	2.9
87.00830	8.7
91.05479	6.3
93.07057	20.8
95.04978	4.9
95.08627	15.5
97.02885	6.5
97.06506	4.8
99.08109	6.9
105.01884	3.2
105.07045	20.2
107.08617	11.0
109.02886	5.1
109.06541	6.8
109.10155	25.8
111.08087	7.7
118.19832	2.5
119.08578	16.0
121.10147	79.6
123.08085	5.1
123.11690	10.7
125.06051	2.9
125.09637	3.3
127.03973	12.2
127.11172	7.0
131.08551	7.0
133.10138	13.0
135.08046	3.3
135.11691	8.4
137.06000	12.0
137.09644	3.9
139.11201	12.0
145.04974	4.2
145.10115	10.6
147.11716	10.3
149.13284	12.3
151.11182	23.0
153.12741	2.4
159.11656	17.4
161.13266	3.9
163.11185	7.4
165.09258	3.6
165.12785	4.4
173.13269	3.1
175.14886	2.8
177.12753	4.4
191.17934	3.8
201.05484	6.0
201.16400	17.7
215.47290	2.2
219.17447	44.0
230.40866	2.3
237.18513	100.0
255.19470	3.3
360.46973	2.4
378.23611	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	503.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.2
55.01873	1.5
55.05500	0.6
61.39854	0.5
67.05500	2.4
69.03417	2.2
69.07063	1.3
71.04996	0.7
71.56673	0.5
79.05484	1.3
81.03407	2.2
81.07059	2.8
81.99758	0.4
83.04955	0.5
83.08620	0.6
85.02886	2.5
87.00813	2.0
91.05458	0.5
93.07025	1.9
95.04942	0.5
95.08604	2.7
97.02881	1.2
99.04478	0.7
100.11252	0.7
105.07001	1.2
107.08591	1.2
109.02888	1.2
109.06509	3.0
109.10159	3.1
119.08579	2.3
121.10154	1.4
122.07272	0.9
123.11690	0.7
127.03924	1.4
127.82616	0.6
133.10103	0.8
135.11707	1.1
137.05954	1.5
137.09612	4.0
139.07568	2.9
145.04987	0.8
145.10147	0.6
147.04395	0.6
149.09630	2.1
153.09081	1.4
154.06509	1.9
155.07011	2.0
159.02893	1.3
159.08105	0.5
159.11667	0.6
163.11241	1.0
165.09119	37.6
169.08658	0.8
175.11134	1.4
181.07610	20.7
182.06023	1.0
189.12766	0.6
201.07593	0.9
203.10771	0.8
203.14235	0.9
205.12131	0.7
209.07092	4.8
210.14851	0.6
219.17549	0.5
227.08159	69.2
228.08459	0.5
237.18596	0.5
255.07652	100.0
256.07932	0.7
269.19260	0.6
319.31952	0.5
333.10794	0.6
347.19067	0.5
349.10623	1.2
351.21539	0.9
377.69598	0.5
405.77106	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45398	1.8
55.05515	4.8
57.07082	3.3
60.09193	1.8
67.05502	6.1
69.07059	7.5
70.88065	4.6
71.04992	3.1
71.08613	2.3
79.05486	3.1
81.07063	15.3
83.08617	5.9
84.97233	1.9
93.07050	7.1
95.08604	19.6
96.99621	1.9
99.08118	1.8
102.18391	2.0
105.07021	3.6
107.08595	11.5
109.10172	25.3
113.09636	2.4
119.08612	4.4
121.10172	15.0
123.11712	6.4
125.09631	3.2
133.10135	6.7
135.11673	5.9
137.13257	4.0
147.08075	2.2
147.11716	4.4
149.09624	11.8
149.13214	3.6
153.19319	2.0
157.10027	2.1
158.03079	1.9
159.11658	2.8
161.09599	6.2
161.13307	2.5
171.11673	1.8
173.09633	4.3
173.13240	2.3
175.14876	7.4
177.16371	9.5
183.20624	2.3
187.11183	2.6
187.14873	3.6
192.29889	1.8
192.97174	2.0
201.16403	2.8
207.13576	2.0
227.18050	2.8
229.15880	4.0
241.19521	2.8
245.19023	6.6
271.20560	13.3
297.02856	2.2
299.23633	17.5
301.21631	3.0
313.25204	3.7
421.34497	6.8
439.35718	100.0
440.35968	2.5
441.36215	3.5
457.36826	95.7
458.37256	2.8
502.42395	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	502.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70420	4.7
55.05494	18.0
57.03442	6.9
57.07072	16.8
67.05505	25.1
69.07067	11.6
70.05349	17.8
70.13194	4.7
71.08633	7.1
76.75386	5.3
77.21790	5.7
80.53321	4.6
81.07053	30.5
83.08640	26.8
85.10172	12.5
93.07059	7.5
95.08617	58.2
97.10154	6.9
105.07042	5.6
109.10149	29.9
123.11686	10.3
131.23854	5.7
135.11702	6.1
165.16400	6.6
183.17479	5.2
207.21298	6.4
229.17944	30.2
257.21143	100.0
277.09555	5.1
284.56949	5.0
285.20560	68.6
293.50516	5.3
316.82193	6.3
439.35681	8.3
457.36401	15.9
467.37650	39.6
520.26294	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	502.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05517	6.7
71.57309	6.1
74.81884	5.3
81.07072	15.0
91.39960	5.6
93.07035	10.1
95.08632	18.3
101.31107	5.6
105.07024	7.3
107.08620	13.3
109.10143	8.6
121.06458	9.4
121.10143	8.9
123.11732	12.9
137.13266	11.7
146.79378	5.6
147.11732	7.7
149.09650	64.9
153.98090	5.6
159.29912	6.6
161.09656	10.2
163.14836	13.8
168.01181	5.6
175.14848	7.0
191.14473	7.0
201.16399	6.0
207.13863	10.7
213.12737	6.3
221.18933	6.4
261.18579	14.7
271.20569	100.0
291.23318	7.9
301.21646	27.5
421.35022	12.3
439.35748	61.0
457.36853	46.6
502.42966	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	502.2933
Annotation	LysoPE(20:4(8Z,11Z,14Z,17Z)/0:0)
Peak:m/z	Relative Intensity
53.03942	4.2
55.01868	4.8
55.05516	10.3
57.03426	5.5
57.07073	3.3
62.06096	57.9
65.03928	2.3
67.05170	2.3
67.05509	37.7
69.07075	12.2
70.88277	3.2
71.08640	2.6
79.05058	2.2
79.05498	32.9
81.07065	29.5
81.48878	1.2
83.04979	2.0
83.08609	3.3
85.06549	3.6
88.07698	1.1
91.05487	45.0
93.07056	24.6
95.04987	4.1
95.08612	22.7
96.19869	1.1
97.06547	7.5
97.10165	2.3
98.06092	5.8
98.98469	18.5
105.04533	1.4
105.07037	25.4
107.08606	13.0
109.06551	1.4
109.10155	6.5
117.07043	10.8
119.08598	21.0
121.10150	9.3
123.08103	2.8
123.11723	2.5
124.01627	3.4
128.06235	1.5
129.05516	10.0
129.06989	6.3
131.08574	10.1
133.10167	14.4
135.11717	3.9
137.13287	1.4
141.09113	1.5
142.02675	3.3
142.07886	1.3
143.08588	5.2
145.10123	8.8
147.11737	5.9
149.13248	2.2
155.01091	3.2
157.10173	5.5
159.11795	2.5
161.13312	3.1
171.11725	3.4
173.02110	5.5
173.13229	1.7
175.14842	4.2
176.81018	1.2
177.16437	1.3
185.13271	3.6
187.14771	2.8
189.16423	5.1
198.05307	4.5
199.14803	1.7
201.16440	2.9
203.17966	14.5
216.04608	1.1
216.06290	6.4
235.58127	1.2
255.57372	1.2
269.22690	12.0
280.75122	1.3
287.23618	9.9
330.27917	24.7
337.48410	1.3
361.27390	100.0
362.28043	2.6
484.28299	2.7
502.29150	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2931
Annotation	LysoPE(20:4)
Peak:m/z	Relative Intensity
51.02379	0.7
53.03954	2.9
55.01880	4.0
55.05519	8.7
57.03185	0.6
57.03440	9.3
57.07073	2.6
60.21973	0.5
62.06079	1.2
65.03951	2.7
67.05506	37.5
68.05820	0.5
69.06721	0.8
69.07069	10.9
70.43302	1.0
70.43645	0.6
71.04988	1.2
71.07350	0.5
71.08616	0.7
72.39809	0.4
73.02911	1.9
75.04498	0.6
77.03912	0.8
79.05494	28.7
81.03424	0.7
81.07060	26.2
83.04967	2.1
83.08630	3.5
85.06558	2.5
85.10201	0.9
86.09692	2.2
91.05482	37.3
93.07045	24.3
95.04959	4.0
95.08607	23.2
97.06532	5.9
97.10158	1.3
98.06064	0.8
98.98457	1.7
99.08113	0.6
103.03934	0.6
105.04487	0.9
105.07033	19.8
107.08598	11.4
109.06528	1.7
109.10152	5.5
111.08098	0.7
115.05452	0.6
117.07024	7.6
119.08583	17.5
121.10140	6.6
123.08065	2.1
123.11722	2.0
124.01613	1.1
125.09621	0.9
128.06218	1.1
129.05493	7.6
129.06984	4.2
131.08575	6.5
133.09128	0.6
133.10127	11.0
135.08058	1.4
135.11670	2.9
137.09599	0.7
137.13258	1.2
143.08577	3.7
145.10139	5.0
147.11685	5.1
149.09599	1.3
149.13274	1.2
157.10141	3.8
159.11703	2.4
161.09631	1.1
161.13263	2.2
163.01581	0.9
163.11195	0.6
163.14839	1.6
171.10330	0.8
171.11693	3.5
173.13248	1.1
175.11179	0.7
175.14813	1.7
177.16400	1.0
185.13261	2.7
187.14859	1.0
189.16368	1.4
197.11717	0.6
199.14835	1.2
201.16382	1.5
203.17953	11.7
213.16397	0.8
213.28767	0.5
216.06349	1.4
240.38010	0.6
241.19614	1.2
269.22632	7.4
287.23648	1.3
313.62878	0.6
316.37027	0.6
330.27997	3.3
361.27362	100.0
362.27661	2.2
392.87048	0.6
502.33014	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62971	1.1
53.03937	2.2
55.01867	2.9
57.03441	1.8
59.41811	1.1
61.02921	4.3
69.03431	9.7
71.04989	1.8
71.22681	2.0
75.00639	1.1
81.03417	5.2
85.02912	37.3
87.04433	1.2
91.03962	1.3
91.05449	1.3
97.02887	12.0
99.04478	2.2
105.03371	1.2
107.04956	5.8
109.02881	4.0
110.83828	1.2
119.04948	3.1
123.04446	2.5
127.03910	10.0
131.04941	4.9
133.01952	1.2
133.02858	5.5
133.06490	8.5
135.04402	1.6
145.04953	7.8
145.06560	1.2
147.04427	23.0
149.06013	2.5
159.04384	3.1
161.02368	7.8
161.05980	12.9
165.05453	2.7
171.04396	2.9
177.05460	1.8
179.03409	10.7
180.08658	2.8
187.03951	7.4
189.05476	33.4
199.03911	6.9
205.04929	1.8
216.07211	2.1
217.04990	35.5
227.58940	1.2
235.06032	1.9
254.08760	1.8
258.08252	1.6
263.05527	100.0
264.05862	1.5
282.08051	1.9
305.06537	5.0
323.07632	67.6
340.10306	4.7
341.08533	2.7
342.10294	4.5
501.36996	1.2
502.15488	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	501.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01569	1.2
53.03957	8.4
55.01879	2.9
55.05516	27.2
57.03443	6.6
57.07083	3.1
61.14029	1.3
64.78690	1.3
65.03923	4.0
67.05509	68.5
69.03423	2.2
69.07069	20.8
69.66409	1.7
69.86828	3.5
69.87232	5.4
71.01339	1.4
71.04993	4.2
79.05498	85.2
81.03425	2.1
81.07063	86.5
81.74253	1.3
82.37686	1.3
83.04977	5.9
83.08631	14.2
85.06548	4.8
91.05481	40.9
93.07050	98.4
95.04970	12.1
95.08610	28.5
97.06534	8.9
97.10188	2.5
99.08099	4.7
103.05537	2.0
105.04542	1.8
105.07030	22.3
107.08604	29.5
109.06526	4.6
109.10178	7.6
111.08075	6.3
117.07019	13.5
119.08585	17.0
121.09309	2.9
121.10158	44.8
123.11695	3.4
125.09675	2.3
128.06284	1.5
129.07031	3.9
130.07849	1.6
131.08585	18.3
133.10158	12.3
135.11685	10.9
139.11221	2.4
143.08554	3.7
143.14922	1.7
145.10139	12.6
147.11673	6.6
149.09570	1.8
149.13268	31.2
151.11095	1.6
155.08597	1.7
157.10130	5.0
159.11681	20.7
163.11194	1.7
165.12778	1.5
169.10118	2.4
171.11714	3.0
173.13300	4.8
175.14812	1.9
177.12773	5.3
183.11752	2.2
185.13280	2.2
187.14748	2.5
191.39749	1.3
195.12154	1.8
195.13713	7.7
197.13289	2.3
199.14888	2.2
215.17984	5.4
233.18993	2.3
248.76482	1.3
297.21921	1.9
398.85239	1.5
409.30984	6.7
427.32153	2.0
483.34741	2.5
501.35773	100.0
502.36154	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	501.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.1
55.01871	5.7
55.05520	20.3
57.03434	14.1
57.07084	5.6
61.72120	2.3
66.90767	2.3
67.05171	3.4
67.05511	48.8
69.03444	13.2
69.07075	23.5
71.04992	4.8
71.57584	4.1
74.47195	2.5
79.05505	28.7
81.03421	16.0
81.07067	45.6
81.97043	3.1
83.04988	5.5
83.08617	13.7
85.02901	5.9
91.05491	24.1
93.07052	32.7
95.08611	41.4
97.02901	8.9
97.06528	5.8
97.10175	7.1
99.04482	3.3
103.03945	9.4
105.07044	30.0
107.08602	18.6
109.02894	11.5
109.06535	3.0
109.10137	13.3
111.08099	4.4
117.07031	14.6
119.08572	20.8
121.10137	16.9
123.08156	3.0
123.11702	5.2
125.09668	2.4
127.03915	8.5
129.05536	3.4
129.07013	11.0
131.08577	25.5
133.10126	18.7
135.08066	5.6
135.11716	6.2
137.09654	4.1
141.07024	3.7
143.08537	13.5
143.83359	2.7
145.10149	22.5
147.11703	9.4
149.09627	6.7
149.13315	5.3
155.08565	6.1
157.10136	15.8
159.11757	13.0
161.13257	3.3
167.08575	3.8
168.39233	2.8
169.10152	10.2
171.11653	14.1
173.13278	9.7
175.14832	3.4
181.10190	6.1
183.11711	10.0
185.13286	7.4
187.14778	3.8
195.11743	4.9
197.13310	6.9
199.11319	2.5
199.14844	7.4
201.07524	2.6
205.15968	2.8
209.13336	4.5
211.14862	7.6
213.16306	3.8
215.17851	2.7
223.14848	3.5
225.16449	4.1
250.10564	2.8
265.25348	3.2
311.23880	3.4
325.25412	3.2
339.29089	7.1
391.29773	13.4
395.28894	2.8
409.31009	43.2
417.30322	4.4
421.93076	2.8
427.32147	5.0
465.33502	3.4
483.34692	25.5
501.35770	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.7
55.01870	2.2
55.05520	12.8
57.03429	6.7
57.07087	2.3
61.14579	1.5
65.03922	1.9
67.05511	39.2
69.07076	12.7
69.94738	6.7
79.05499	33.7
81.03426	2.3
81.07066	41.5
83.04977	4.3
83.08616	8.9
85.02921	1.6
85.06549	2.9
91.05487	33.1
93.07051	33.6
95.04986	4.1
95.08620	34.5
97.06515	5.0
97.10165	4.0
105.07040	30.2
107.08596	23.0
109.06545	3.4
109.10149	10.6
111.08115	3.5
114.36499	1.6
115.05460	2.2
116.06270	1.8
116.22229	1.6
117.07026	15.7
119.08582	22.0
121.06522	2.0
121.10153	20.2
123.08077	1.9
123.11738	5.6
125.09638	2.1
129.05524	1.9
129.07036	12.7
131.08585	31.8
133.10138	22.1
135.08018	3.9
135.11719	7.6
141.06998	4.1
142.07796	2.3
143.08542	14.8
145.10147	26.3
147.11668	14.9
149.09618	7.5
149.13261	5.4
151.11314	2.4
155.08578	7.2
155.21808	1.8
156.09360	3.0
157.10118	12.9
159.08072	2.6
159.11694	18.3
161.13292	6.4
163.14880	2.0
165.12729	1.9
167.08589	4.3
169.10146	9.0
171.11728	12.9
173.13295	12.7
173.14606	2.4
175.11320	2.1
175.14868	3.0
181.10136	6.1
183.11723	13.5
185.13283	13.1
187.11200	2.1
187.14862	9.0
191.14342	2.5
195.11757	4.8
197.13239	13.0
199.11192	2.0
199.14853	7.3
201.12744	2.3
201.16364	2.6
209.13309	4.0
211.14813	6.1
213.16451	6.4
223.14882	3.9
225.16498	3.6
234.91875	2.0
235.14801	2.3
236.15004	3.3
237.16592	2.6
239.17912	3.3
243.17509	3.5
251.18176	2.1
253.19427	2.4
259.20724	2.2
264.18799	1.8
285.22223	2.6
297.22308	2.6
299.20331	2.6
299.23672	3.2
311.23700	2.7
313.21799	1.9
313.24991	2.2
325.25339	4.3
335.25949	2.7
343.26410	1.8
353.24649	2.1
391.30145	13.3
409.31021	42.8
417.29971	4.5
427.32150	5.7
465.33597	2.2
483.34500	24.2
501.35696	100.0
502.35904	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	501.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.6
54.83245	4.2
55.01867	23.5
55.05522	94.6
57.03439	11.0
59.05004	4.8
63.52736	4.0
65.03934	4.6
67.05506	79.8
69.03422	11.3
69.07079	16.4
69.51460	11.6
69.51873	20.3
71.04998	4.9
76.14123	5.2
79.05501	100.0
81.03417	9.0
81.07072	52.9
83.04993	12.8
83.08614	41.5
91.05487	63.1
93.07065	38.9
95.04981	18.3
95.08625	18.0
97.06538	7.0
97.09561	5.0
97.10178	78.4
103.05457	6.5
105.07050	43.1
107.04984	9.4
107.08585	36.8
109.06564	10.3
109.10168	18.4
111.08147	7.1
115.05471	19.0
117.07027	41.0
119.04966	6.1
119.08599	19.3
120.08916	4.4
121.06540	10.8
121.10157	10.4
123.08087	7.5
125.09639	57.0
128.06224	26.4
129.05528	7.2
129.07011	60.5
131.04922	6.1
131.08589	31.9
133.06497	13.9
133.10133	8.4
135.08073	17.3
141.06982	29.9
143.08577	25.0
145.06532	20.1
145.10129	16.9
147.08089	10.8
153.06990	28.8
153.09128	7.8
154.07796	12.5
155.08565	72.9
155.09697	6.1
157.06505	15.7
157.10097	9.1
159.08057	9.6
161.09691	6.4
165.07086	13.1
166.07863	7.6
167.08578	26.4
169.06538	10.9
169.10086	21.1
171.08066	19.6
173.09651	13.6
178.07829	11.7
179.08607	30.6
180.08977	4.3
181.06651	4.9
181.10136	21.9
183.08107	8.8
183.11697	14.7
185.09695	6.5
189.11235	45.7
191.08611	9.9
193.10216	21.7
195.08043	12.9
195.11757	16.5
195.13420	4.5
197.09680	13.2
197.13297	8.9
199.11264	8.9
204.09322	4.4
205.10143	14.3
206.10881	5.7
207.11852	5.7
209.13336	5.4
211.11269	10.0
211.14911	16.7
217.10175	7.2
219.11707	15.0
221.09598	4.5
221.13306	27.8
223.11182	14.1
227.12737	32.8
233.13373	5.2
237.12787	11.2
239.14362	31.6
241.12329	5.7
245.13660	5.3
247.11076	5.7
249.12669	6.9
257.15451	12.3
265.12375	7.2
325.17648	5.2
345.22018	9.3
363.23193	6.4
373.21704	24.4
391.22705	46.6
409.23746	25.0
427.24896	9.4
465.26602	14.6
483.27438	53.8
501.28430	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.6
55.01875	23.6
55.05292	4.7
55.05518	49.7
57.03434	12.8
59.05000	6.4
61.19139	4.6
65.03928	5.8
67.05513	71.7
68.36112	5.0
69.03421	8.7
69.07079	22.5
69.93848	4.8
70.44368	17.5
71.04990	10.2
79.05499	94.1
80.32941	3.7
81.03407	21.7
81.07065	64.7
83.05003	23.0
83.08631	25.4
91.05485	100.0
93.07055	73.9
95.04979	47.3
95.08602	28.8
96.91181	5.4
97.06521	17.3
97.10193	31.1
99.42326	4.8
103.05453	8.0
105.03386	9.0
105.07048	65.0
107.04961	25.3
107.08608	37.8
109.06504	8.8
109.10165	18.2
111.04452	14.2
111.08081	12.8
115.05446	14.6
117.07018	71.6
119.08565	24.8
121.06496	16.4
121.10146	21.7
123.04423	6.2
123.08051	13.4
123.11682	6.8
123.72404	4.5
125.09629	27.7
128.06230	14.1
129.07013	41.4
131.04900	13.7
131.08580	40.3
133.06465	20.3
133.10129	15.3
135.08041	15.6
135.11684	14.7
141.06999	24.7
142.07799	7.4
143.08557	16.3
145.06482	20.5
145.10170	22.8
147.08044	13.5
147.11722	8.8
149.09663	10.3
153.07062	8.3
153.09135	5.0
154.07803	6.8
155.08571	32.6
157.06487	20.5
157.10176	26.5
157.71988	4.9
159.08051	9.6
159.11685	5.4
161.06038	5.4
161.09624	8.7
163.11226	27.5
165.07007	8.5
166.07768	5.5
167.08574	17.0
169.06471	10.5
169.10161	13.4
171.08044	17.7
171.11662	13.1
173.09627	9.9
173.13240	9.8
175.11169	8.0
179.08557	11.7
181.10120	17.8
181.12175	8.0
183.08125	12.0
183.11684	14.3
185.09587	6.5
185.11749	6.1
187.11325	5.5
189.11179	14.6
191.10696	10.7
193.10071	7.2
193.12283	7.3
195.08093	11.6
195.11676	12.3
197.09692	7.0
197.13135	7.2
199.11194	16.4
201.12788	12.4
205.10100	8.1
205.12115	5.3
207.11714	6.1
209.09605	10.5
211.11250	7.1
212.38852	4.6
217.12184	8.0
219.11717	11.4
219.97157	4.6
221.09628	4.7
221.13255	12.6
227.12820	12.9
237.12831	4.8
239.14250	15.5
253.83455	4.8
257.15515	7.9
269.15402	9.0
271.16782	5.7
281.15189	7.8
283.15430	14.0
287.16428	8.0
295.16946	6.2
307.16919	5.4
345.22021	5.4
363.22974	6.1
373.21793	26.6
391.22739	59.4
409.23688	17.5
427.25256	7.9
465.26276	17.1
465.67914	5.5
483.27393	82.5
501.28558	93.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	9.5
55.01876	24.6
55.05272	3.4
55.05516	48.9
56.46292	3.0
57.03424	12.5
63.25882	2.4
65.03931	7.0
67.05169	4.6
67.05508	65.2
69.03426	5.7
69.07061	18.6
69.87054	15.4
71.04982	10.1
77.15752	2.9
79.05066	5.4
79.05498	93.5
81.03412	19.6
81.07063	46.7
83.01329	6.3
83.04977	20.3
83.08618	22.0
91.05482	100.0
93.07048	59.3
95.04974	44.8
95.08619	26.2
97.06531	19.6
97.10176	33.5
99.04466	3.0
103.05480	6.4
105.03401	4.3
105.04512	4.1
105.07037	42.8
107.04973	29.0
107.08601	33.2
107.54845	2.9
109.02903	3.3
109.06503	12.4
109.10133	13.6
111.04436	9.1
111.08054	9.1
114.47991	2.6
115.05488	17.4
117.07023	68.6
119.08549	17.6
119.13772	2.9
121.06504	15.7
121.10160	25.9
123.08065	21.6
125.08859	3.1
125.09619	18.6
128.06201	11.4
129.07011	49.8
130.07819	4.5
131.04910	8.5
131.08583	50.1
133.06491	8.8
133.10109	10.1
135.08072	22.2
135.11679	13.7
137.09535	3.6
139.07513	4.4
141.06998	29.0
142.07719	5.7
143.08565	20.7
145.06491	13.8
145.10117	29.7
147.08043	8.7
147.11751	4.1
149.09607	8.9
152.06215	3.0
153.06972	6.8
153.09105	3.6
153.12741	8.7
155.08551	31.5
157.06520	15.7
157.10168	21.5
157.51010	2.9
159.08080	6.5
159.11714	8.9
161.05870	4.0
161.09637	7.6
163.11182	26.4
165.06993	8.7
166.07716	7.9
167.08551	13.3
169.06502	14.8
169.10135	12.7
171.08070	16.9
171.11656	15.2
171.22491	3.3
173.09592	10.9
173.13232	10.2
175.11147	5.5
178.07704	4.3
179.08589	10.4
181.06381	3.5
181.10153	16.6
181.12213	10.4
183.08043	8.9
183.11700	17.0
185.09572	7.9
187.11203	3.3
189.09396	3.9
189.11235	15.2
189.12755	3.6
191.10741	6.2
193.10233	7.7
193.12193	5.3
195.08058	11.0
195.11758	7.9
197.09607	4.5
197.13242	3.1
199.11201	12.0
201.12724	12.9
203.08629	5.1
205.10158	7.8
205.12088	4.5
207.11681	5.9
209.11595	5.7
209.13435	3.9
211.11192	5.0
211.14761	3.3
217.08549	10.0
217.12152	4.9
219.11681	9.6
219.13701	5.9
221.09647	5.1
221.13298	9.0
223.11162	8.0
227.12782	13.7
235.11118	4.3
237.12807	7.4
239.14331	14.7
257.15314	5.1
271.17047	7.3
281.15378	5.6
283.15338	20.0
287.16229	5.8
295.17148	5.0
299.16382	4.9
307.17007	4.9
311.16312	4.7
313.18033	4.7
325.17923	9.2
343.19144	4.0
363.22952	5.7
373.21576	23.3
381.24112	3.9
391.22589	50.4
405.23004	4.3
409.23782	17.4
427.24884	8.0
465.26163	11.7
483.20819	6.1
483.27420	78.2
492.81406	4.1
501.28552	91.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76968	4.0
54.64994	3.4
55.25987	3.4
55.46847	3.7
57.07061	4.3
66.69372	3.6
67.05518	8.9
69.07061	13.0
70.00451	8.9
70.00875	12.5
81.07059	15.5
83.08607	12.4
93.07042	7.6
95.08620	19.4
107.08585	11.8
109.10150	28.6
119.08657	4.4
121.07484	3.8
121.10159	13.8
123.11738	5.4
133.10205	7.3
135.11722	9.9
137.13286	7.7
139.11176	4.2
149.09659	9.0
149.13237	5.2
159.11777	3.9
161.09583	5.4
175.14827	8.5
177.16405	10.3
226.76329	4.0
241.19495	5.2
245.19016	10.9
271.20566	14.5
283.26538	6.9
299.23709	14.2
301.21686	4.4
313.25339	5.7
421.34540	8.2
439.35754	100.0
457.36838	73.2
500.46777	10.5
501.91217	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76765	4.2
53.03938	8.0
54.08206	5.5
55.05508	14.1
61.02924	17.1
67.05508	33.7
68.99792	14.2
69.03427	24.3
69.07084	22.8
71.04982	28.3
71.56210	4.5
73.06580	4.9
79.05492	17.8
81.03403	22.1
81.07053	57.0
83.04987	13.2
83.08624	5.0
85.02908	26.1
87.00818	14.2
89.06064	5.8
91.05493	19.6
93.07048	48.8
95.04975	31.1
95.08598	30.8
97.02882	9.8
97.06539	11.0
97.10207	4.7
98.20210	4.6
99.04453	10.2
99.62049	4.8
101.83153	4.2
105.01863	6.6
105.07046	43.9
107.08598	100.0
109.02887	19.1
109.06506	9.0
109.10167	62.3
111.08067	29.3
117.59814	3.9
119.08588	47.1
121.06490	7.1
121.10159	27.8
123.08065	4.8
123.11723	8.4
125.09653	38.1
127.03925	28.9
129.01877	14.2
131.08574	21.8
133.10144	26.1
135.11699	45.6
137.09645	5.5
143.08551	6.5
145.10147	41.6
147.02908	8.0
147.08041	8.3
147.11694	81.3
149.09654	6.0
149.13260	5.7
153.09190	5.3
153.12755	37.6
157.10130	9.2
159.08139	4.5
159.11636	11.0
161.09593	6.9
163.11159	8.2
165.12849	7.2
171.11720	5.3
173.13193	4.8
175.07538	6.0
175.11215	12.2
175.14861	10.9
179.10643	5.0
189.12685	6.0
189.16417	26.1
191.10675	4.9
199.14958	9.4
213.03970	6.9
217.15897	32.0
235.16928	68.6
253.18018	23.0
339.21622	8.4
483.22235	13.2
501.23013	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	500.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	4.2
57.07085	4.8
58.06603	4.7
69.07069	10.3
71.17812	8.7
78.08873	3.1
81.07066	13.0
83.08601	4.9
93.07039	5.7
95.08608	14.7
105.07037	4.7
106.12126	3.1
107.08599	9.3
109.10158	9.4
119.08581	8.8
121.10168	10.2
123.11736	8.8
133.10158	4.1
135.08098	5.1
137.13266	4.5
147.11707	9.1
149.09633	60.4
149.13274	6.4
159.11737	5.7
161.09650	12.6
161.87222	3.2
163.14804	4.0
171.11646	3.7
175.11163	4.2
179.14346	5.4
185.13477	4.2
189.12776	3.4
191.14313	5.4
201.16396	6.4
207.13849	12.9
261.18619	10.5
271.20584	100.0
283.20615	4.8
283.26462	8.7
291.23428	4.6
299.23425	4.0
301.21548	19.0
421.34610	11.8
439.35672	50.2
457.36893	20.7
500.46994	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	500.395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03365	0.2
54.19395	0.3
55.01849	0.5
55.05519	3.0
57.03440	6.8
57.07056	0.6
58.06606	29.6
58.06885	0.9
59.07386	9.9
59.20819	0.3
60.08168	8.9
67.05511	2.3
69.07080	3.2
69.25397	2.9
73.02885	1.1
75.04109	0.3
75.04492	4.2
79.05460	1.1
81.07053	2.1
83.04974	0.3
83.08639	2.0
84.08111	0.5
85.02905	1.9
87.03987	0.4
87.04474	5.1
93.05481	0.4
93.07025	1.1
95.08612	1.9
97.06510	0.4
97.10127	0.9
101.05997	0.6
103.03904	0.8
105.05486	1.2
107.08556	0.8
109.10151	0.6
111.11769	0.4
113.06009	0.5
121.10181	0.7
123.11622	0.4
130.08681	0.4
131.07076	2.1
135.11638	0.6
144.10207	7.2
159.06459	0.6
162.11263	4.1
200.12715	0.3
208.14615	0.3
209.85324	0.3
218.13998	0.7
236.14944	100.0
237.15279	0.7
280.58902	0.3
330.41299	0.3
438.39490	0.5
482.38458	23.8
483.38461	0.5
500.39517	70.3
501.39951	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	6.7
55.01873	8.7
55.05511	18.7
56.99245	6.7
57.03425	12.2
62.06090	100.0
67.05508	53.3
69.07085	14.8
69.52435	27.1
69.52859	17.8
70.49647	5.3
79.05508	45.6
81.07066	39.1
83.08607	10.4
90.66362	7.2
91.05484	67.4
93.07076	37.9
95.04972	6.5
95.08603	29.9
95.94592	6.5
97.06488	8.5
98.06046	7.3
98.98458	35.4
103.05499	9.8
105.07032	43.0
107.08591	16.6
107.53834	6.2
109.10162	15.0
114.75220	5.7
115.29280	6.7
117.07034	72.2
119.08588	40.3
121.10136	9.8
125.46092	5.6
128.06224	7.8
129.05482	17.3
129.07018	24.7
131.08589	67.0
133.06552	6.9
133.10176	13.0
135.11751	8.3
141.06995	16.9
142.02629	6.3
143.08543	13.6
145.10147	32.1
147.08075	7.3
147.11740	8.7
149.09550	8.1
153.84821	6.3
154.76048	6.2
155.01083	9.6
155.08537	12.8
157.10088	10.8
159.11668	14.1
161.13281	7.7
163.03937	21.1
163.11356	6.3
164.04288	12.6
169.10121	27.7
171.11673	8.3
173.02107	9.6
173.13196	9.8
183.11745	16.6
185.13304	14.4
187.11227	7.3
187.14841	11.2
197.13245	7.1
201.16420	33.1
216.06303	10.4
243.21082	35.7
257.22665	11.0
267.21155	49.7
285.22119	83.8
328.26450	16.8
359.25839	78.9
439.22473	22.3
457.23273	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	500.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41976	2.6
53.03934	4.6
55.01862	7.8
55.05500	4.8
57.03444	17.7
57.88324	3.0
61.02915	11.1
67.05487	4.0
68.99776	12.5
69.03432	61.3
71.01342	7.3
71.04979	6.8
73.02917	31.6
79.05481	4.9
81.03424	34.9
83.04970	13.1
83.60854	2.9
85.02429	5.9
85.02910	100.0
87.00835	41.9
95.04946	11.2
97.02898	83.9
99.04459	14.4
101.02399	5.5
103.03948	22.9
105.01868	39.9
108.04489	6.3
109.02878	41.8
111.04418	8.1
115.03919	12.1
115.06166	3.2
123.04416	10.1
125.02377	18.3
126.05515	3.8
127.03916	88.5
129.01842	8.5
129.05405	3.0
137.02365	3.5
139.03891	5.2
145.04958	25.0
147.02863	9.7
147.04404	3.2
151.03893	14.0
159.02878	5.6
163.03903	6.2
169.04965	12.4
171.02898	7.7
177.05423	4.0
181.04915	15.1
187.06000	8.6
189.03955	34.2
193.02690	2.7
193.04892	7.5
199.05992	10.5
205.04947	8.5
211.05945	3.4
213.03909	12.0
217.07091	8.7
217.23848	3.2
223.06047	25.6
231.05084	16.9
241.07057	20.4
248.07680	5.0
249.06136	5.5
261.06229	4.6
273.06012	31.5
305.11130	6.0
327.07092	8.8
345.07922	3.6
363.09116	5.9
500.21619	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	499.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.9
55.01864	5.3
55.05516	93.0
57.03442	14.5
57.06833	2.2
57.07082	26.2
58.99580	2.0
59.04992	2.1
64.95816	1.8
67.05173	2.9
67.05511	51.6
69.07075	100.0
69.27343	1.7
69.38654	2.6
69.38984	15.5
71.04984	6.2
71.08627	10.3
73.06559	3.9
77.88847	1.9
79.05501	36.4
81.07068	73.9
83.04976	6.6
83.08627	76.5
85.06552	6.9
85.10172	5.6
88.58762	1.7
91.05500	11.5
93.07051	56.8
95.04988	2.3
95.08617	83.6
97.04893	1.6
97.05987	2.5
97.06541	26.6
97.10179	48.0
99.08084	5.6
101.06013	3.9
105.07032	6.7
107.08602	43.4
109.06492	1.7
109.10175	34.2
111.08086	18.3
111.11738	11.9
111.72562	1.7
113.09663	2.0
115.07631	2.5
119.08604	3.6
121.10149	59.0
123.11735	10.3
125.09634	13.1
125.13281	2.5
129.09105	2.5
131.08609	2.9
133.10097	4.5
135.11711	31.3
137.13272	2.3
139.11217	9.8
145.10109	2.9
147.11653	2.1
149.13252	6.6
153.12737	2.5
157.10133	1.9
157.12241	2.3
159.11665	2.1
163.14844	17.0
177.16397	41.1
177.44653	1.9
181.15877	13.3
191.17944	10.6
195.17487	37.8
199.16983	3.5
209.18932	10.1
213.18498	14.5
227.20033	4.5
231.15932	1.7
232.95683	1.8
255.19562	4.7
269.21210	15.7
273.20627	2.7
283.22525	3.8
287.22110	8.0
303.26300	2.0
313.60233	1.7
371.33127	2.8
389.34286	23.4
401.52209	1.8
407.35257	25.9
425.36407	4.9
481.39151	13.9
499.40262	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.1
55.05518	78.9
57.03439	14.0
57.07084	21.3
58.75237	2.0
65.03944	3.2
67.05167	4.0
67.05512	57.2
69.03449	3.2
69.07075	100.0
71.04986	7.4
71.08647	12.4
73.06549	5.8
79.05499	34.9
81.07064	80.3
83.04984	8.7
83.08632	74.7
85.06541	8.6
85.10196	6.6
86.27040	2.4
91.05495	9.9
93.07053	52.9
95.04962	4.1
95.08613	79.9
96.77214	2.2
97.06536	22.2
97.10178	47.3
99.08094	6.9
101.06010	3.3
105.07084	2.7
107.08599	37.5
109.10166	32.1
111.08091	19.6
111.11734	11.4
115.07586	4.6
115.59273	2.2
119.08586	4.1
121.10152	59.8
123.11728	6.3
124.34239	2.1
125.09640	20.5
129.09140	5.3
131.08540	3.0
135.11703	33.1
139.11188	13.9
149.13240	8.0
153.12804	4.1
157.12277	2.3
157.67972	2.5
163.14844	35.4
173.37651	2.2
177.16409	20.0
181.15915	21.9
183.44426	2.6
189.16339	2.8
191.17995	12.6
195.17447	17.3
199.17010	3.9
207.17484	2.9
209.19031	23.3
213.18530	4.8
227.20032	7.4
255.19611	9.0
269.21143	8.9
283.22665	10.5
371.33145	4.5
389.34045	21.1
407.35266	21.8
425.36252	4.6
481.38791	13.7
499.40063	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65598	2.0
53.03936	4.7
54.55019	2.0
55.01874	4.3
55.05261	2.5
55.05513	30.9
57.03437	31.1
57.07060	5.5
58.06596	7.5
59.07376	2.6
59.08297	1.9
60.08167	5.1
61.02927	66.3
65.03943	3.6
67.05505	79.3
69.03433	32.9
69.07069	32.2
69.88482	8.3
70.14473	2.2
71.01360	4.5
71.04990	4.9
71.08633	4.2
73.02919	32.0
75.04482	3.7
79.05495	32.2
81.03433	26.1
81.07059	94.3
83.04980	4.8
83.08627	20.9
85.02905	68.7
86.09701	4.9
87.04461	8.0
87.10036	3.2
91.03955	44.1
91.05482	24.6
93.07047	32.5
95.04989	5.0
95.08609	65.6
97.02287	2.9
97.02898	58.4
97.06516	6.2
97.10175	11.7
99.04452	10.4
99.08108	5.6
101.02374	13.2
103.03951	9.8
104.10737	20.4
105.07044	17.8
105.11066	4.5
106.11269	3.2
107.08591	19.3
109.02895	15.0
109.10163	28.4
111.04482	3.0
111.08064	2.7
111.11713	3.2
115.03938	8.5
117.05497	3.0
119.08585	14.0
121.10130	15.9
123.11712	13.8
125.00032	4.3
127.00379	4.0
127.03926	23.7
129.05496	4.9
131.08569	5.2
133.10117	12.8
135.11703	7.4
137.09610	2.7
137.13206	5.7
141.05435	2.1
143.08543	3.4
145.04988	12.4
147.11702	11.6
149.13277	8.0
151.14879	2.6
157.10106	2.8
159.06555	3.2
159.11676	2.7
161.13243	8.6
163.14832	4.8
164.82445	2.2
165.12854	2.8
165.16362	2.8
175.14841	6.6
183.06538	5.5
184.07323	10.2
185.07672	4.6
186.07770	9.5
187.08093	3.9
200.22372	2.1
201.07649	3.3
236.14958	19.6
237.15259	13.2
245.22626	11.8
261.22482	2.1
263.23685	18.6
272.21844	2.2
305.24765	3.8
337.27386	100.0
347.26196	2.4
365.26663	2.7
481.31113	3.5
481.37665	4.6
499.32748	13.8
499.38257	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	499.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.8
55.05502	3.6
57.03439	1.1
57.07087	1.3
67.05507	3.0
67.30122	0.8
69.03429	2.9
69.07067	3.2
69.39542	8.6
71.30483	0.9
79.05494	2.4
81.03428	1.8
81.07075	5.7
83.04984	4.4
85.02921	4.7
87.00852	2.1
91.05480	10.4
93.07054	4.9
93.32467	0.9
95.08627	7.3
97.02882	4.0
98.00256	1.0
105.01889	2.4
105.07050	4.8
107.08604	6.6
109.02896	4.6
109.06542	2.1
109.10181	5.9
117.07022	3.0
119.08600	11.5
121.06507	1.2
121.10156	2.8
123.08066	2.4
124.48853	1.0
125.05985	1.3
127.03921	5.2
131.08551	1.5
133.10112	4.0
135.08052	3.7
135.11731	1.4
137.09613	3.4
139.07532	1.0
145.04974	1.6
145.10144	4.2
147.11691	2.9
149.09644	1.7
151.07542	2.2
159.08096	1.0
159.11676	1.4
161.13243	1.5
163.07536	7.7
163.14828	1.2
165.09160	7.5
173.09578	1.5
177.09123	2.8
181.08582	2.7
187.14827	3.6
189.16370	1.1
191.10704	1.3
231.05144	1.7
233.15366	13.9
251.16460	100.0
358.51050	1.1
464.09164	0.9
499.20905	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	499.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89401	3.6
52.22163	3.1
53.03939	16.1
55.01865	8.8
55.05517	32.5
55.82787	3.5
57.03437	41.3
57.07074	8.2
57.49803	3.8
61.02932	29.6
64.14444	3.4
65.03934	4.4
65.40002	3.0
66.05083	3.6
67.05510	84.6
69.03432	54.4
69.07075	41.2
71.01347	4.0
71.04996	11.1
71.56459	4.5
73.02921	16.0
79.05496	40.8
81.03422	64.4
81.07064	100.0
83.04985	11.8
83.08633	17.3
85.02907	51.1
87.04462	4.2
91.03953	14.6
91.05476	32.7
93.07058	41.0
94.80328	3.4
95.04974	9.3
95.08055	5.3
95.08620	74.4
95.09222	4.0
97.02888	44.3
97.06532	10.0
97.10171	13.3
98.73918	4.0
99.04469	28.7
101.02383	6.3
103.03963	34.3
105.07042	19.1
107.08625	17.7
108.85058	3.6
109.02893	27.9
109.06532	3.7
109.10151	31.2
111.08121	5.7
115.03948	8.9
117.07045	10.6
119.08602	15.2
121.10137	17.7
123.11712	13.6
127.03920	37.5
129.05507	6.6
129.07019	5.9
131.08575	12.0
133.10124	16.3
135.11719	14.2
137.13280	4.6
141.06993	4.1
145.04964	8.0
145.10060	5.1
147.11694	12.1
148.26877	3.2
149.13266	8.0
155.08479	4.0
161.13245	7.3
163.14836	8.8
165.86217	3.7
171.06508	6.3
175.14838	6.7
183.06566	9.1
189.16406	4.4
201.07590	5.6
236.14917	5.9
245.22672	11.8
261.22134	3.6
261.31335	3.8
263.23639	20.6
305.24805	3.4
329.24887	4.1
337.27371	61.0
365.26642	3.7
371.25546	6.0
407.27948	20.1
481.31290	6.4
499.33047	13.6
499.39374	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	499.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.7
60.85491	0.4
69.03457	0.4
71.56747	0.5
73.30681	0.4
81.07050	1.0
93.07049	0.7
95.08601	1.2
99.08102	1.4
105.07063	0.8
107.08588	0.6
107.28541	0.4
109.06544	0.7
109.10150	0.9
121.10146	0.7
125.33799	0.4
127.03841	0.4
133.10156	1.0
137.05978	1.3
143.13095	0.4
193.15913	0.7
227.05287	1.5
234.77425	0.4
245.06332	1.1
251.16310	0.8
271.04282	1.3
289.05249	2.2
293.17029	0.5
309.97043	0.4
352.12122	0.9
353.12561	1.8
363.95435	0.4
395.20270	0.5
413.21274	4.2
437.21597	2.4
455.22372	17.0
481.20416	2.4
499.21515	100.0
500.21994	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2152
Annotation	Val Glu His Asp
Peak:m/z	Relative Intensity
50.06690	0.5
55.05525	0.5
67.05514	0.5
81.07027	1.0
91.05483	0.7
93.07030	0.7
95.08638	1.2
98.21487	1.8
99.08091	1.5
109.06538	0.6
109.10157	1.1
112.12873	0.5
121.10196	0.7
127.00079	0.5
133.10120	0.8
134.64473	0.5
137.06001	1.6
147.04454	1.2
167.03188	0.6
227.05286	1.0
229.57895	0.6
245.06406	1.1
251.16634	0.6
271.04318	1.9
289.05368	1.3
306.11737	0.7
311.16861	0.5
353.12598	1.6
395.20087	0.9
413.21365	4.1
437.21503	1.9
455.22327	15.3
481.20300	1.8
499.21561	100.0
500.21811	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.4
55.05511	2.1
57.03440	6.7
57.07067	0.4
58.06602	31.3
59.05007	0.3
59.07384	9.8
60.08166	10.1
65.03934	0.2
67.05508	5.2
69.07073	2.1
71.17510	0.4
73.02927	1.0
75.04484	3.9
79.05495	1.9
81.07064	3.9
83.05013	0.3
83.08639	0.4
84.08156	0.4
85.02896	2.2
87.04470	5.5
87.04961	0.4
89.44692	0.2
89.87064	0.2
91.05493	0.9
93.05532	0.5
93.07057	1.4
95.08613	2.9
97.06542	0.4
97.10199	0.3
100.11275	0.3
101.06043	0.2
102.05551	0.4
103.03954	0.7
105.05523	0.9
105.07044	0.5
107.08597	0.6
108.14438	0.2
109.10140	1.1
113.06030	0.6
130.08620	0.3
131.07037	2.2
133.10080	0.4
144.10205	8.0
159.06505	0.3
162.11256	4.2
176.10378	0.2
181.24391	0.2
190.27408	0.2
194.28714	0.2
200.12839	0.5
218.13872	0.7
225.50664	0.2
236.14931	100.0
237.15253	0.6
372.65353	0.2
436.37875	0.3
480.36884	23.5
481.37073	0.4
498.37900	67.4
499.38419	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.4
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09748	1.7
55.05493	6.9
55.94631	1.9
57.07079	36.8
59.04996	2.1
59.35717	1.8
61.02925	2.5
66.04875	1.7
67.05505	4.5
69.07054	7.6
71.08624	29.6
71.24147	1.7
73.06541	7.6
76.10799	1.7
79.05490	3.0
81.07047	5.5
83.08612	7.2
85.10187	25.6
87.04453	5.1
89.06033	100.0
89.13947	1.9
93.07046	4.4
95.08601	5.1
97.10170	3.1
99.11719	4.4
107.07092	4.4
107.08605	2.2
109.10182	2.3
113.69648	1.8
114.22852	1.8
117.09174	2.6
121.10141	3.1
129.04359	2.0
130.08665	3.2
133.08598	50.2
155.17891	4.3
177.11235	19.8
177.12738	2.9
177.14447	1.9
189.10745	1.7
199.20586	6.9
205.30711	2.2
221.13936	4.4
231.15981	3.2
236.14864	2.5
239.14827	3.4
243.23222	6.9
244.64218	2.0
245.17473	3.0
283.17499	4.7
287.25870	6.1
317.08636	1.8
325.26883	2.4
327.20163	10.5
432.84705	1.9
481.37341	13.6
498.38834	3.1
504.96365	2.0
505.03784	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	1.6
58.99864	2.1
59.95416	1.3
70.27128	5.6
70.27496	2.2
76.83477	1.3
79.53526	1.3
81.14523	1.3
82.99869	1.9
85.01360	2.2
85.02896	2.5
89.03967	1.9
91.05486	2.4
97.02878	3.5
98.97578	4.9
101.00874	15.3
103.02436	4.6
110.97585	1.9
113.00886	4.9
115.02411	2.1
119.01921	27.7
119.04943	2.0
122.08229	1.4
127.02442	10.3
128.33145	1.4
131.00284	1.5
131.01915	21.7
131.24216	1.4
131.51903	3.1
133.03458	10.1
135.04419	1.8
137.02946	2.1
138.01756	1.5
139.02452	3.6
143.01900	26.8
145.03485	51.0
147.01353	3.9
147.04353	12.7
149.01195	2.2
149.02972	2.8
151.04570	4.6
155.01906	33.4
157.03459	18.9
159.05064	2.0
161.02968	23.3
163.03784	10.4
167.01918	13.4
169.03481	6.9
171.01373	6.7
171.05029	4.4
173.02979	54.8
173.04486	2.7
173.19524	1.5
174.02908	3.5
175.04559	11.5
179.01910	4.8
181.03487	3.4
183.01389	2.9
185.02975	46.9
187.04567	10.6
189.02432	10.2
189.06033	1.9
191.03891	3.3
197.02988	19.3
199.00850	4.0
199.04552	5.5
201.00739	1.6
201.02399	2.6
201.04242	1.6
201.05980	3.4
203.02234	2.4
203.04005	16.4
209.02887	3.6
211.04567	3.8
213.02449	2.0
215.04050	9.2
217.01965	53.3
217.03983	2.6
217.05542	4.9
221.03107	3.3
221.05127	6.4
224.04590	1.5
227.04074	10.2
229.01910	6.4
229.05586	2.9
235.02975	17.4
239.03932	3.0
245.05084	100.0
246.05313	2.5
247.02847	13.6
247.06876	2.6
251.04243	3.8
257.05103	14.9
261.05850	10.0
263.06073	11.5
269.05380	2.8
275.06104	16.0
277.04099	15.8
277.07602	4.0
293.05048	2.2
293.07541	1.7
295.08786	6.4
301.04083	8.6
305.07321	8.6
311.06793	1.6
317.07153	1.9
319.05154	25.1
335.08133	5.0
337.06152	25.7
365.09415	8.9
439.13159	7.7
450.08023	1.8
481.13269	3.5
499.11304	21.0
499.27084	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.7
55.01874	2.6
55.05493	1.8
57.03438	3.6
59.05002	2.9
61.02931	2.1
62.97406	1.2
67.05497	7.1
69.03436	24.5
69.07072	4.2
69.42432	12.4
71.04991	2.9
73.02917	3.5
79.05513	2.3
81.02979	1.9
81.03428	21.4
81.07060	5.8
83.08641	1.4
85.02914	28.0
85.19128	1.7
87.00845	13.6
87.04459	3.0
91.05500	2.3
93.07042	4.7
94.06563	3.8
95.04997	2.2
95.07372	2.6
95.08614	9.5
96.08137	20.3
97.02917	11.9
97.06622	1.7
99.04456	6.3
105.01871	11.5
105.05517	1.8
105.07047	4.3
107.08622	2.1
108.08128	14.3
109.02891	18.6
109.06525	1.4
109.10162	13.2
111.11705	2.6
119.08551	2.7
120.08070	2.1
120.74085	1.6
121.10154	6.3
122.06068	3.2
122.09694	5.1
123.11678	2.0
124.07602	5.1
127.03919	27.2
129.12805	8.0
132.08171	1.3
133.10104	1.4
134.09688	4.9
134.94118	1.4
136.07611	2.3
136.11212	9.5
137.06000	2.4
137.09615	8.5
143.08604	1.7
145.05008	7.5
145.08942	4.0
145.10120	1.6
146.09666	2.2
147.03049	1.5
149.65320	1.5
156.09395	1.7
158.09720	2.0
159.02896	6.8
159.10426	4.1
159.11736	4.5
160.11252	5.0
161.09669	1.6
162.09140	1.4
164.37982	1.5
172.11214	3.0
173.11990	5.2
173.13339	2.8
174.12793	9.1
184.11270	2.7
188.14343	19.6
190.12314	1.6
190.15936	4.1
198.12944	2.5
199.13380	11.8
199.15134	3.6
214.15924	100.0
216.17494	41.4
231.05061	4.9
232.17000	23.6
274.18140	4.4
302.12976	1.6
331.12250	1.7
413.21881	1.7
455.22537	4.1
462.20926	5.1
468.37692	1.5
468.64990	1.6
480.22327	9.1
499.21558	12.3
509.02200	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86968	2.6
54.70944	2.8
55.01873	4.4
55.05304	3.0
55.05521	42.4
57.07071	22.7
67.05507	24.0
69.07077	55.7
69.34602	26.2
71.08631	7.9
79.05486	18.6
81.07072	32.0
83.01345	3.8
83.04983	4.9
83.08626	33.5
85.02913	4.6
86.09750	3.8
91.05492	18.1
91.99445	3.3
93.07053	30.6
95.04977	6.0
95.08612	36.9
97.06532	3.7
97.10172	19.5
104.10735	10.3
105.07049	25.6
107.08610	27.5
109.06528	12.4
109.10143	21.4
111.11713	10.4
117.07014	9.2
119.08603	19.2
121.10138	26.6
123.08052	5.4
123.11709	8.9
125.06015	31.7
125.09672	3.9
129.07008	5.0
131.08582	14.6
133.10156	23.3
135.08035	8.1
135.11717	8.0
137.13249	4.0
139.07578	4.0
141.05472	4.0
143.08542	9.5
145.10147	15.1
147.08066	7.6
147.11646	10.4
149.06038	3.4
149.09659	15.3
151.07561	5.5
151.14827	3.4
153.05487	15.8
153.09055	4.7
155.08633	4.3
157.10129	6.8
159.11751	6.2
161.09615	16.5
161.13245	6.2
163.07581	23.5
163.11188	19.6
164.08337	7.5
165.09102	6.6
169.10129	4.4
171.11678	7.6
173.09702	4.0
173.13287	7.3
175.07587	7.3
175.11176	11.0
175.14888	4.6
177.09116	100.0
177.12692	4.3
178.09886	13.2
179.10728	11.0
183.11681	3.8
184.07367	7.0
185.07780	3.7
187.14745	4.3
189.09064	3.9
189.16396	3.6
191.08870	3.5
191.10568	15.0
193.08595	5.9
193.12303	5.6
195.11746	4.5
203.10707	8.6
207.10170	14.1
209.11778	9.8
217.12198	6.7
231.13820	8.7
233.15428	4.9
235.17027	3.1
245.15326	3.9
253.10689	5.7
271.17010	3.0
305.21021	3.3
317.25027	6.9
335.25824	6.4
357.31482	12.4
371.33151	4.0
372.30246	14.2
373.30954	20.1
375.32660	10.6
389.34521	4.3
390.53232	3.2
405.27750	6.0
407.35474	4.4
415.31866	9.1
417.33716	48.2
423.28806	4.4
433.33612	3.7
435.34879	15.4
442.22995	3.6
461.32675	5.8
497.32632	25.5
501.30615	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	497.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11946	3.1
54.16859	3.2
55.05508	41.7
57.07073	22.0
57.88258	3.4
61.02893	3.8
67.05514	22.3
69.07072	63.4
70.39452	9.7
70.39803	6.9
71.08643	11.8
79.05507	20.4
80.68546	3.3
81.07064	42.0
83.01366	3.9
83.08624	42.3
83.19901	3.3
85.10215	4.9
86.47589	3.3
91.05500	12.0
92.07733	3.8
93.07052	30.8
95.04985	5.4
95.08601	38.0
97.10183	21.8
105.07014	25.1
107.04930	4.4
107.08604	27.0
109.06519	12.5
109.10187	23.7
111.11721	7.4
117.07056	5.9
119.08605	17.5
121.06565	8.2
121.10139	26.4
123.07989	4.1
123.11732	16.9
125.05987	42.0
125.13197	4.1
131.08577	8.0
131.96524	4.1
133.10146	18.2
135.08078	4.4
135.11676	12.3
143.08621	7.0
145.10143	13.7
147.08054	6.8
147.11682	13.7
149.05910	4.7
149.09608	13.5
149.13232	4.4
151.07530	5.1
151.14763	4.6
153.05469	21.0
153.09142	4.4
157.10138	7.3
159.11719	8.0
161.09641	11.5
161.13345	5.9
163.07547	21.4
163.11209	17.6
164.08385	10.2
165.09177	9.6
167.06941	4.3
169.05037	6.7
173.13231	3.6
175.07607	8.4
175.11224	10.9
175.14781	5.3
176.08383	6.7
177.07616	6.6
177.09126	100.0
177.12714	4.5
178.09836	11.1
179.10693	12.5
181.12233	4.5
189.09015	4.0
189.12930	4.2
190.09879	7.3
191.10690	17.9
192.40848	3.4
193.08670	6.0
193.12372	4.3
195.10178	4.0
200.22337	3.4
203.10623	8.7
203.14359	4.3
205.12337	8.3
207.10214	10.2
209.11755	11.9
217.12221	3.8
222.83232	3.8
223.95302	3.9
229.15831	4.3
229.18018	6.7
231.13745	7.0
245.15468	6.1
253.10637	10.9
259.17007	5.3
266.92084	3.6
277.17981	5.4
279.19815	4.0
305.83542	3.6
335.25824	4.6
357.31577	10.7
372.30133	12.4
373.31107	24.0
397.30984	4.7
399.32520	5.8
407.35150	9.9
415.32104	8.6
417.33582	50.4
425.30566	7.9
432.73901	4.6
433.33044	6.4
435.34491	19.4
461.32635	6.1
497.38940	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	497.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.2
55.01864	4.6
55.05516	11.0
56.96554	5.4
57.03437	3.2
57.07067	2.1
63.55486	1.6
66.84046	1.8
67.05508	32.6
69.03448	9.1
69.07078	11.0
71.04985	4.4
71.33360	3.0
72.08129	2.0
79.05488	13.4
81.03415	3.7
81.07059	38.3
83.04967	4.8
83.08624	3.5
85.02898	7.3
85.06548	17.4
88.00858	2.0
91.05491	20.0
93.07050	34.3
95.04977	6.9
95.08616	100.0
97.02895	4.0
97.06524	11.8
97.10175	3.0
98.97013	2.2
98.97594	23.1
99.04450	7.7
99.08105	2.8
101.06007	4.1
105.06476	2.4
105.07053	22.4
107.04984	3.5
107.08604	33.2
109.02901	5.0
109.06522	14.1
109.10172	23.5
111.04430	2.5
111.08102	11.8
113.06007	12.0
113.09685	8.8
116.98631	9.0
117.07028	4.9
119.04938	4.0
119.08591	37.2
121.06531	10.0
121.10154	35.4
123.08075	30.8
123.11688	6.4
125.05991	2.9
125.09631	6.7
125.25046	1.8
127.03922	4.8
128.06223	2.7
128.98582	2.2
130.07793	2.0
131.08585	9.9
133.10132	20.9
135.08057	18.0
135.11676	11.8
137.05962	10.3
137.09610	17.1
137.13266	3.4
138.09155	6.0
139.07530	8.3
139.11176	2.1
141.09105	21.2
142.07816	3.1
143.08548	8.5
145.09134	3.1
145.10136	18.3
147.04411	9.9
147.08035	3.3
147.11708	18.1
149.06136	2.1
149.09630	13.1
149.13255	3.0
151.07530	15.4
151.11205	10.1
153.05470	3.2
153.09091	6.3
155.08534	3.9
155.10689	3.1
156.09288	3.1
157.08812	2.9
157.10115	10.6
158.99663	4.1
159.10353	3.5
159.11703	14.2
161.09601	6.8
161.13272	6.5
163.11180	16.4
165.09116	3.4
165.12747	8.1
169.08626	5.4
169.10124	5.3
171.11668	6.1
173.09608	4.0
173.13255	11.8
175.02748	3.7
175.11176	5.9
175.14813	2.8
177.00648	3.0
177.12726	2.8
181.12216	3.1
183.11661	9.6
185.13249	5.0
187.09642	6.5
187.11209	5.4
187.14838	4.8
189.12781	9.1
193.12210	2.4
195.11751	3.9
197.13188	4.5
199.14790	6.2
201.12738	6.5
203.14314	6.3
207.13847	3.0
211.14992	2.5
211.17058	1.9
213.12761	5.8
213.16295	2.9
215.14369	4.8
215.17955	14.9
219.01717	3.2
219.13899	2.2
221.18254	2.2
225.16403	20.4
229.15865	2.4
231.13646	2.7
231.17509	2.3
233.15306	3.0
237.02742	4.6
239.17961	3.8
241.09618	3.1
241.15880	4.4
243.17436	45.2
249.11760	4.2
249.14798	5.5
251.16463	3.5
255.17311	3.2
257.19003	10.8
259.17050	3.7
259.20718	2.0
261.18491	55.9
267.12744	9.3
275.20197	8.9
279.16006	2.8
279.19562	9.3
291.12631	26.6
297.16776	1.9
301.11908	2.4
303.04877	5.9
309.13498	4.0
379.26285	5.6
397.27417	11.5
411.16977	27.4
415.28409	6.8
422.20685	6.2
425.26874	5.5
429.17938	5.4
440.21545	2.3
443.27914	12.1
450.20236	3.0
453.17786	15.0
461.28979	10.2
468.21561	13.2
479.29858	7.2
497.10440	5.0
497.18192	23.5
497.30731	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29358	0.5
69.03423	0.8
69.07077	0.7
70.31163	1.2
70.31519	1.0
71.05012	0.5
78.07901	0.6
81.07032	0.6
81.71685	0.5
85.02910	1.3
86.09688	1.0
93.07043	0.5
94.23260	0.6
95.08588	0.5
100.81612	0.5
105.07032	0.7
107.04913	0.5
109.02934	0.7
109.06533	0.5
121.10209	0.6
127.03942	0.7
175.07239	0.6
179.39738	0.6
185.04213	0.8
217.11969	0.7
223.84132	0.6
227.05295	0.9
249.14880	2.7
277.14160	1.0
299.25809	0.6
338.13342	1.1
365.12372	0.8
380.14334	3.2
393.18756	1.2
411.19867	14.3
424.13562	0.7
435.20111	0.7
453.20993	30.9
454.21500	0.9
497.19946	100.0
498.20273	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	497.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68910	0.6
53.80447	0.5
53.94954	0.6
55.05510	0.6
60.24339	0.6
69.03437	1.2
71.55970	0.5
71.56375	1.1
79.05487	0.7
80.64882	0.7
81.03430	0.9
81.07032	1.1
85.02908	1.9
91.05475	0.9
93.07048	1.1
95.04984	0.8
95.08607	1.8
100.56123	0.6
105.07037	1.4
107.04931	0.7
107.08601	1.1
107.90993	0.6
109.10175	1.0
111.04457	0.8
119.04948	0.6
121.10136	1.0
124.93462	0.6
125.79323	0.6
127.03921	1.3
131.08594	0.6
133.10193	1.1
137.06026	0.6
153.05460	1.3
182.15471	0.8
210.14880	0.7
231.13666	1.8
245.06424	0.8
249.11137	0.7
249.14697	2.9
277.14377	1.0
289.05316	7.6
291.14545	1.8
303.05005	2.7
411.19843	15.9
435.19830	1.0
453.20999	29.9
454.21744	1.0
497.19971	100.0
498.21323	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	497.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	6.0
53.04165	1.1
55.01869	5.1
55.05507	4.2
57.03428	3.8
61.02919	5.7
61.49306	1.3
65.03942	1.3
66.37618	1.1
67.05512	9.7
68.99786	4.2
69.03435	100.0
69.07064	5.7
71.04983	4.9
73.02931	1.6
79.05503	7.5
79.74839	1.3
79.82250	1.2
81.02976	1.9
81.03422	26.6
81.07057	15.8
83.04972	2.0
83.08604	1.9
85.02427	2.4
85.02913	39.1
85.06532	5.5
85.71461	1.2
87.00464	1.0
87.00842	12.4
87.04490	2.1
91.03973	1.4
91.05489	14.8
93.07041	11.6
95.04987	6.0
95.08613	29.3
97.02898	16.6
97.06510	4.5
97.10175	3.1
99.04461	10.1
105.01891	7.9
105.07031	14.0
107.04963	1.7
107.08607	13.2
109.02890	31.0
109.06532	6.7
109.10173	7.3
111.04436	4.1
111.08094	3.7
113.05975	2.5
113.09638	1.9
115.38489	1.5
117.01862	2.2
117.07002	3.8
119.04961	5.8
119.08589	19.2
121.06498	4.7
121.10146	14.2
123.08085	16.1
125.05965	3.0
127.03928	41.4
129.01849	4.9
129.07008	1.6
130.06503	3.6
131.08565	4.8
133.06451	3.7
133.10152	12.6
135.08066	6.8
135.11703	3.8
137.05983	4.7
137.09644	5.8
139.07513	3.0
139.11107	1.3
141.09097	4.8
142.07846	1.7
143.08542	4.4
144.09312	1.7
145.04956	9.4
145.10143	12.8
146.05974	1.3
147.02908	3.6
147.04408	14.1
147.08046	5.7
147.11729	7.6
148.04778	4.7
149.05991	3.1
149.09607	3.6
151.07547	26.8
151.11186	2.4
153.01866	1.8
153.05492	9.1
153.09128	1.2
155.10681	1.3
156.09354	2.5
157.08904	1.4
157.10072	6.7
159.02939	10.0
159.11665	7.9
161.09621	3.7
161.13261	3.7
163.07513	3.5
163.11205	20.4
165.06960	1.7
165.09100	5.0
165.12840	2.0
170.10918	4.5
171.08066	1.7
171.11647	4.8
173.09598	3.7
173.13293	3.6
175.07582	3.5
175.11168	1.7
175.14828	2.2
177.05466	2.5
183.11710	3.5
185.13350	6.2
187.09712	2.7
187.11172	7.3
187.14819	2.7
189.09167	2.1
189.12764	12.3
191.14334	1.6
193.08635	6.1
195.06566	2.7
195.11682	5.6
197.13179	2.2
201.12694	1.8
203.14293	5.5
205.12204	5.8
207.13777	3.9
213.03993	2.7
213.12773	19.1
215.14386	1.5
215.17888	3.9
219.13802	1.4
221.15408	3.2
225.16365	5.2
231.05031	9.2
231.11659	2.2
231.13824	29.4
231.17363	2.6
233.15376	1.4
243.17517	9.7
249.14833	11.3
251.16562	2.2
257.18982	3.5
261.18576	11.9
275.20178	1.7
303.04974	18.2
317.08563	2.3
335.14844	2.1
397.27246	2.2
414.49323	1.7
415.28552	1.7
443.27954	2.9
453.20483	3.4
461.29016	2.9
469.20013	2.3
479.29993	2.1
497.10736	2.2
497.20142	37.8
497.26938	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	497.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	11.8
55.01870	5.3
55.05497	6.7
57.03433	8.5
57.13242	3.6
61.02922	5.7
67.05502	4.3
68.99788	8.7
69.03424	45.9
69.23280	20.7
69.23703	17.9
71.01358	4.9
71.04944	4.5
71.53274	3.7
78.13224	4.2
79.05475	5.2
81.03413	47.6
81.07034	7.0
83.04961	11.0
84.22283	3.9
85.02902	84.5
87.00835	38.2
95.04961	16.8
95.08629	5.4
97.02895	35.2
99.04434	14.4
101.02376	5.0
103.03932	10.8
105.01844	23.8
105.07041	4.5
107.04983	5.1
107.61533	4.2
109.02877	53.4
111.04427	9.4
112.23180	5.1
121.06535	4.3
121.10085	5.0
123.04409	10.2
125.02308	7.3
127.03919	86.8
136.31375	4.1
137.06067	4.5
137.37161	3.9
139.03873	7.5
145.04936	13.5
147.02928	4.7
147.04341	4.4
150.32016	3.7
151.03915	13.8
165.05435	5.0
169.04944	18.6
171.02847	6.7
187.06055	11.7
189.03914	19.6
193.04956	10.0
213.03957	8.3
231.04938	13.9
235.06102	7.2
241.92516	4.7
249.14511	4.6
255.04926	7.0
273.06021	39.1
326.50589	4.1
334.23447	4.2
339.07141	7.4
341.99500	4.1
396.54276	4.1
411.19809	14.8
420.36356	4.2
453.20798	26.1
497.19974	100.0
497.27176	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	497.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	1.1
69.12146	0.5
71.56432	0.9
79.05521	0.6
81.03442	0.6
81.07060	1.1
85.02948	0.6
93.07049	1.0
95.04980	6.4
95.08595	1.2
101.02753	0.5
107.08611	0.6
116.68563	0.5
119.08617	0.5
127.03919	1.4
137.05997	1.0
145.10133	0.6
145.60713	0.6
231.13644	1.0
245.06433	1.9
249.14696	5.6
250.59399	0.6
253.53293	0.6
277.14044	3.4
289.05295	4.8
291.14514	0.8
309.53342	0.6
367.17041	0.8
393.18771	2.4
409.18353	2.1
411.19867	13.7
436.93164	0.6
453.21002	38.3
454.21292	1.2
479.19012	0.8
497.19974	100.0
498.20575	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	496.3401
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05510	0.5
55.75040	0.2
56.05048	1.3
57.03429	0.5
57.06864	0.2
57.07085	2.9
58.06591	1.1
59.07372	0.3
60.08170	15.8
66.16286	0.2
67.05509	0.5
67.11296	0.2
69.07068	0.3
69.15585	0.2
70.46935	0.4
70.47317	0.6
71.07381	6.2
71.08634	1.6
74.83368	0.2
81.07067	0.6
83.08641	0.8
85.10191	0.9
86.09712	47.9
90.63003	0.2
93.63079	0.2
95.08612	1.1
97.10215	0.2
98.98466	3.6
100.19972	0.3
104.10752	100.0
105.11076	0.4
109.10117	0.4
113.00172	0.3
121.00920	0.2
125.00014	27.3
163.01570	0.6
184.07355	95.3
191.15077	0.3
248.38959	0.3
257.38782	0.2
258.11078	1.2
313.27338	1.6
419.25677	0.6
478.32996	8.2
496.34015	31.2
497.34387	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.4
55.05513	1.7
57.03441	6.7
57.03703	0.3
58.06606	31.3
58.58107	0.2
59.04983	0.2
59.07385	10.2
60.08169	9.6
65.03924	0.3
67.05510	4.6
69.07045	0.8
69.93307	0.8
71.04983	0.3
73.02915	1.2
75.04116	0.3
75.04486	4.1
75.55884	0.2
79.05504	3.3
81.06641	0.3
81.07063	3.5
84.08118	0.5
85.02905	2.2
87.04472	5.4
91.05482	2.1
93.05515	0.6
93.07056	3.4
95.04932	0.4
95.08616	2.1
100.11245	0.3
102.05537	0.4
103.03943	0.5
105.05475	1.0
105.07004	0.9
107.08553	0.8
109.10175	0.5
113.05978	0.6
119.08532	0.3
121.10158	0.6
130.08633	0.2
131.07053	2.6
133.10106	0.3
135.11703	0.3
143.68190	0.3
144.09129	0.4
144.10208	7.7
159.06532	0.4
162.11259	4.0
200.12820	0.6
218.13892	0.6
236.14938	100.0
237.15215	1.2
281.49939	0.2
395.52228	0.3
434.36414	0.7
478.35327	23.2
479.35709	0.6
496.36368	68.5
497.36667	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64283	0.3
56.05032	0.5
57.07088	0.7
58.06604	0.6
60.08169	5.6
61.00908	0.3
67.05511	0.5
69.07066	0.4
69.74277	2.0
71.07386	2.6
71.08641	0.5
75.46997	0.3
79.05439	0.3
81.07037	0.4
86.09713	29.8
93.06944	0.4
95.08607	1.0
98.21341	0.5
98.98475	3.0
104.10749	2.6
117.03394	1.0
118.03703	0.4
125.00014	20.3
143.00934	0.3
145.02879	2.2
146.03162	0.9
166.74699	0.3
174.91243	0.3
177.05493	4.9
178.05815	2.7
184.07355	100.0
185.07652	0.5
236.14772	0.3
256.92242	0.4
371.53885	0.4
478.32986	1.3
496.16910	0.5
496.33676	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	8.1
55.01870	9.6
55.05519	41.0
57.03430	12.1
57.07070	6.6
66.58583	4.5
67.05224	5.8
67.05511	70.5
69.03423	8.3
69.07068	45.8
69.30507	9.9
69.30911	41.0
71.04985	6.3
71.08627	7.5
79.05108	6.6
79.05505	61.0
79.17265	4.6
81.03406	13.1
81.07066	100.0
83.04975	26.3
83.08620	22.0
85.02895	15.5
85.06536	8.6
91.05490	46.5
93.07062	76.2
95.04976	15.5
95.08618	92.9
97.06528	15.5
97.10183	29.9
105.07042	67.1
107.04927	6.1
107.08603	69.5
109.06506	10.8
109.10155	57.2
111.04427	11.4
111.08097	10.7
117.07034	23.5
119.08575	45.9
121.10148	46.2
123.08064	10.6
123.11713	21.9
125.06042	10.6
125.09626	19.9
127.07529	6.1
129.07031	11.0
131.08594	31.2
133.10173	31.2
135.08075	14.8
135.11728	27.7
137.09622	6.8
139.07512	7.2
141.05457	4.5
142.07919	5.8
143.07019	17.4
143.08633	9.3
145.10156	32.6
147.08078	6.1
147.11736	30.2
149.09615	11.0
149.13228	22.5
151.07506	9.3
153.05467	6.1
153.09106	6.7
153.12775	10.1
155.14343	12.9
157.10101	13.7
159.11722	29.6
161.09625	6.2
161.13255	19.9
161.23517	5.6
163.11180	14.5
165.09102	9.2
167.07030	50.3
169.31631	4.8
171.11708	8.2
173.09650	7.9
173.13261	14.9
175.11180	6.3
175.14810	6.9
177.09235	6.4
177.12761	4.8
181.12209	9.7
183.11559	5.6
185.13336	6.4
187.14830	15.4
189.16383	11.2
191.10661	16.3
193.12260	9.0
195.11823	6.0
195.13837	7.2
199.14836	5.9
215.17999	6.0
227.12697	11.1
233.15422	9.5
235.17139	6.2
247.16924	5.8
279.15753	5.3
283.15356	10.4
339.23270	6.3
357.24246	7.8
359.22144	5.8
367.22543	9.7
385.23846	16.0
397.31018	8.5
399.32553	9.3
403.24954	6.0
415.32236	10.6
417.33493	14.8
431.28049	6.5
438.64603	6.5
441.26114	10.1
459.27325	22.2
459.34601	43.4
477.28372	28.5
477.35617	30.5
495.29520	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96010	0.4
57.03435	0.5
58.04495	0.5
60.08157	0.6
63.02385	0.7
67.05520	1.0
69.07059	0.6
70.16528	0.8
70.16927	1.1
78.04699	0.5
79.05466	0.8
81.07054	0.9
83.08600	0.5
84.17731	0.5
86.09702	3.3
89.03917	8.5
91.05506	1.0
93.07040	1.0
93.67596	0.4
95.08605	0.9
98.25690	0.5
104.10758	0.6
105.07058	0.5
106.04205	1.0
117.03386	24.5
124.99975	2.3
134.03654	2.4
135.04442	2.4
145.02853	52.6
147.04420	0.6
149.06007	9.2
153.01721	0.6
163.03946	1.5
171.85033	0.5
177.05481	100.0
178.05792	1.1
184.07346	10.2
186.05580	2.3
186.06985	0.5
195.06514	0.5
251.09288	0.6
251.32779	0.5
470.61615	0.5
477.28650	2.9
495.16437	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	7.8
55.01884	22.7
55.05517	63.5
57.03442	27.1
57.07083	6.9
59.05000	5.9
65.03913	5.0
67.05510	100.0
69.03426	10.8
69.07078	23.8
71.04985	9.2
73.47598	2.9
79.05501	87.0
81.03423	84.9
81.07066	99.5
83.01329	5.6
83.04986	43.0
83.08634	41.9
85.02915	38.6
85.06554	9.0
91.04958	5.9
91.05490	72.7
93.07056	80.7
95.04972	40.5
95.08605	43.6
97.02868	5.7
97.06551	18.3
97.10175	31.4
99.04476	4.4
99.08097	4.1
103.03951	3.4
103.05499	4.0
105.07043	50.5
107.04977	16.3
107.08599	45.9
109.06513	18.5
109.10180	24.0
111.04468	40.5
111.08105	29.4
113.06016	7.3
115.05453	5.8
117.07057	16.1
119.08591	49.2
121.06526	11.4
121.10140	27.4
123.08067	13.3
123.11729	9.4
125.05985	10.1
125.09641	23.2
129.07054	24.0
131.08572	34.7
133.06483	6.1
133.10159	20.7
135.08073	12.7
135.11707	21.9
137.05978	4.6
137.09598	8.2
141.07010	4.6
142.07727	4.5
145.06490	4.1
145.10129	27.2
147.04411	5.0
147.08052	6.6
147.11688	22.7
149.09604	14.1
149.13275	19.5
151.07556	4.1
151.11185	4.2
153.05511	9.4
153.09106	4.0
153.12753	18.1
157.10106	18.6
159.08076	6.3
159.11725	11.0
161.09648	3.2
163.11180	35.7
165.08998	3.2
165.12746	5.0
167.07066	5.9
171.11702	7.5
173.09630	11.4
175.11238	17.7
177.12761	13.9
181.12276	22.2
187.00949	2.9
187.14851	4.2
189.11221	13.6
191.10652	21.4
193.12260	63.8
195.13806	16.0
203.10744	3.3
209.11699	21.8
211.11319	5.1
211.13303	81.6
211.16556	4.0
213.14839	5.9
215.14392	6.4
227.12766	40.9
233.15485	7.6
247.17094	3.6
252.63934	3.7
267.15948	6.5
269.17535	17.8
283.15347	21.7
284.15994	3.4
285.16980	4.4
293.17502	3.8
307.19138	4.2
339.23364	3.6
349.21353	4.6
359.22214	9.6
367.22797	6.6
375.25357	3.8
380.23538	3.3
385.23706	19.4
403.24832	17.4
421.25711	4.4
431.27924	4.1
441.26270	8.5
451.26715	4.9
459.27420	21.7
477.28513	43.1
495.22345	4.7
495.29584	97.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05531	31.7
58.06596	34.2
67.05507	38.0
70.91691	33.6
70.92022	34.0
79.05528	42.5
81.07074	33.3
83.08642	40.2
88.35024	23.4
97.10190	43.6
105.07052	24.9
107.08607	28.5
125.09649	60.1
180.47768	24.8
203.12823	76.5
399.25476	44.6
431.28171	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	5.1
55.01871	7.7
55.05520	22.8
59.91526	4.4
60.04514	8.2
67.05221	5.0
67.05512	48.8
69.03427	12.7
69.07074	29.1
70.96405	10.0
79.05511	25.9
81.03408	9.0
81.07065	74.6
83.04969	15.1
83.08639	12.0
85.02906	14.9
85.06537	9.4
85.19630	4.4
91.05478	23.2
93.07055	53.5
95.04954	15.8
95.08047	8.3
95.08614	100.0
97.02888	6.5
97.06512	17.1
97.10177	10.2
99.04482	10.8
105.03389	6.5
105.07053	42.1
107.08602	42.5
109.02877	4.8
109.06516	19.6
109.10168	76.6
111.04415	13.7
111.08092	8.9
113.05994	12.2
113.09635	15.0
119.08609	24.9
121.06487	10.3
121.10160	41.1
122.09673	9.1
123.04429	6.0
123.08051	16.0
123.11722	25.7
125.06004	45.2
125.09605	12.0
127.03918	13.5
131.08582	17.1
133.10120	16.5
135.08046	19.9
135.11691	15.7
137.05983	16.0
137.09630	20.4
139.03929	26.6
139.07524	9.7
141.05481	6.7
141.09105	9.2
143.08560	5.3
145.10127	14.5
147.08073	8.6
147.11708	42.1
149.09639	10.7
149.13246	16.5
151.07544	17.5
153.05441	34.8
155.72359	4.7
157.10080	9.6
159.11674	17.7
161.09578	7.0
161.13287	14.6
163.11217	7.5
163.14784	8.4
165.09180	11.3
165.12746	7.2
167.07030	18.8
169.10223	5.9
171.11728	8.4
173.09633	7.5
175.11192	18.5
177.09178	9.1
179.14311	6.7
183.11749	5.1
185.09613	5.6
187.09663	5.7
191.10666	6.5
193.08653	10.8
193.12270	16.5
193.15919	4.3
199.06006	7.2
203.10727	8.0
211.20706	5.5
213.22202	4.5
229.12286	4.6
243.17419	6.6
247.08673	6.1
247.13571	4.5
251.51591	4.3
259.17081	9.6
259.20438	6.3
277.17987	12.5
287.16382	11.9
298.95450	4.5
305.17548	36.1
319.19110	12.7
321.20523	5.8
323.18506	5.1
369.89661	4.8
371.25693	9.2
395.25555	21.0
413.26843	54.2
421.05627	9.8
431.28049	63.6
441.25986	11.2
449.28809	7.5
459.27374	18.6
477.28403	26.2
495.16901	7.4
495.29507	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	494.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58162	3.1
67.05511	7.9
69.03428	7.2
69.07072	5.2
70.82346	6.5
70.82671	4.9
71.05006	14.8
72.22421	3.0
79.05490	4.3
81.03426	5.2
81.07059	6.8
85.02910	12.9
85.06574	4.3
87.00829	5.2
91.05495	10.5
91.26737	3.4
93.07036	11.5
95.08648	15.6
97.02887	6.3
97.10148	3.5
99.04456	33.3
99.08106	16.0
103.82966	3.1
105.01880	4.4
105.07018	5.4
107.08593	11.8
109.02884	5.2
109.10175	9.5
113.09686	3.4
113.91311	3.0
119.04960	11.1
119.08553	7.3
121.10127	6.1
127.03913	6.7
133.10135	9.2
135.11729	17.7
137.05974	12.1
138.06346	7.0
147.04401	27.4
147.11684	3.9
151.07565	4.1
159.02814	4.3
175.14836	10.8
193.15884	13.4
211.16959	100.0
287.12549	3.5
314.31442	3.1
417.00211	3.6
459.22174	10.2
476.26996	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	494.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	4.0
69.07075	4.6
69.57785	16.0
71.04999	6.4
71.39841	2.3
79.05482	5.0
79.48873	2.5
81.07055	14.4
85.02886	5.2
85.06540	3.3
91.05503	4.4
93.07053	16.3
95.08617	18.5
105.07027	13.3
107.08582	20.1
109.10149	3.1
113.02103	2.5
119.08582	76.8
123.11712	8.5
133.10120	16.7
135.11691	54.0
163.36525	2.3
175.14833	100.0
193.15863	19.0
211.16930	74.8
408.78491	2.3
489.65225	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	494.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95894	0.8
53.03949	2.5
55.01865	2.7
55.05513	5.8
57.03443	1.9
61.02929	1.4
67.05514	6.8
69.03435	9.7
69.07072	3.2
69.45289	7.1
71.04994	3.3
73.02920	2.0
79.05486	1.6
81.03430	6.5
81.07066	4.3
81.29378	0.8
83.04978	2.5
83.08614	4.8
85.02916	19.3
85.06548	7.4
87.00838	8.0
89.50191	0.8
91.03955	0.9
93.07050	9.0
95.04984	5.7
95.08617	15.3
97.02907	6.1
97.06541	1.2
99.04452	6.5
99.08102	59.5
101.06010	2.7
105.01866	7.1
105.07049	1.7
107.08592	9.7
109.02889	7.5
109.10168	22.2
111.08090	1.6
119.08576	4.1
121.10162	5.5
123.08046	1.4
123.11691	4.5
125.09679	2.2
127.03922	13.3
127.07531	1.3
127.11223	0.9
129.01860	1.0
133.10141	10.6
135.11694	17.2
137.09605	10.0
145.04971	5.9
147.02919	1.7
149.13275	2.1
151.11140	1.7
151.14815	2.5
153.12740	4.4
155.10670	13.9
159.02925	3.8
165.16380	2.1
170.83908	1.1
175.14835	6.8
193.15889	35.0
194.16295	1.2
195.17349	1.6
211.16949	100.0
212.17299	2.1
229.17963	1.8
231.05055	4.8
249.06221	1.2
423.20190	1.6
441.21158	1.2
459.22272	33.5
495.18335	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64217	0.9
53.03947	3.0
55.01870	2.3
55.05516	19.1
57.03439	5.9
57.07083	44.5
61.81459	0.8
65.03928	1.9
67.05511	52.8
69.06717	1.6
69.07076	20.5
70.45481	1.0
71.01356	3.7
71.04995	3.4
71.08637	32.6
79.05498	32.6
81.03431	4.8
81.06586	1.5
81.07067	40.4
83.04994	5.6
83.08633	16.2
85.06541	4.6
85.10192	16.0
91.05489	15.6
93.07052	40.9
95.04964	4.2
95.08616	35.1
95.09227	1.5
97.06544	8.8
97.10188	16.1
99.08125	2.0
99.11786	1.1
105.04554	1.6
105.07045	4.2
105.59578	1.1
107.04967	1.8
107.08604	26.8
109.10165	19.7
111.08076	1.6
111.11732	2.7
117.07019	4.3
119.08594	4.8
121.06569	1.8
121.10152	5.0
123.11713	7.0
125.06028	1.3
125.09608	2.2
125.13285	1.1
133.10152	3.9
135.08070	1.5
135.11705	50.1
137.09570	1.0
137.13298	2.6
145.10156	7.5
146.95332	1.1
151.14899	1.3
153.12778	2.1
163.11201	6.0
165.16437	1.2
181.12259	10.4
199.13382	1.1
209.78413	0.9
229.27077	1.0
239.23703	11.7
239.25848	1.6
331.81757	1.0
493.38940	100.0
494.39337	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.5
55.01866	2.7
55.05508	9.0
57.03429	1.4
58.99590	5.8
61.02935	2.1
65.03973	1.7
67.05505	16.3
69.03429	7.3
69.07064	2.0
71.04986	4.8
71.17290	2.8
73.02931	1.8
76.02229	11.1
79.05495	23.3
81.03415	3.6
81.07062	20.9
83.04987	6.6
85.02414	1.8
85.02914	20.5
85.06545	1.4
86.99049	3.2
87.04505	1.0
91.05486	41.3
93.07050	32.6
95.04970	4.1
95.08609	5.9
97.02887	5.7
97.06532	2.4
99.04420	1.5
100.02205	2.7
101.06036	2.6
103.05451	1.7
105.00101	6.7
105.07036	67.5
107.08603	13.0
109.06512	5.8
109.10177	1.1
115.05473	2.0
116.06242	1.5
117.07010	4.1
119.04960	1.2
119.08588	37.6
121.06516	1.9
121.10155	23.1
122.02734	100.0
127.03886	3.5
127.95359	1.2
128.06239	1.6
129.07002	15.4
131.08574	64.6
133.06496	2.0
133.10133	51.0
133.49057	1.1
135.11697	10.6
137.05980	1.9
142.07780	4.5
145.04962	1.6
145.10118	9.5
146.02719	3.6
147.08044	4.8
147.11705	23.0
149.09662	10.6
149.13313	1.2
157.10136	13.4
159.11670	1.7
162.06741	1.7
163.03925	1.2
163.11223	13.0
164.03780	1.4
167.10716	2.7
175.11191	70.6
177.12755	2.7
181.12236	18.3
188.03723	1.2
193.12259	57.9
196.45459	1.0
209.15390	1.4
211.13313	2.4
212.41910	1.1
232.17233	1.0
248.05951	1.6
284.07996	13.2
332.15283	62.3
494.20477	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	493.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43194	0.3
55.01876	0.4
55.05518	1.7
55.69964	0.2
57.03439	0.3
65.03960	0.3
67.05510	4.4
68.49550	0.3
69.03432	0.4
69.07076	1.8
69.94721	1.3
79.05492	1.8
81.03430	0.6
81.07068	4.2
83.01350	0.4
83.04985	0.9
83.08623	1.1
85.02892	0.3
91.05517	1.7
93.07047	2.0
95.04950	1.0
95.08603	3.1
97.06532	0.6
97.10175	1.1
99.04443	0.3
105.07040	1.1
107.04956	0.6
107.08610	1.9
109.06532	0.6
109.10159	6.4
117.02094	0.2
117.07029	0.6
119.08589	3.8
121.06534	0.5
121.10125	1.6
122.07300	1.6
123.08095	0.4
123.11726	0.6
125.09676	0.5
131.08611	0.5
133.06586	0.3
133.10184	0.6
135.08049	0.7
135.11700	0.9
137.09628	10.6
137.13255	0.4
139.07597	0.4
139.11310	0.3
145.10129	0.8
147.08044	0.3
147.11693	0.4
149.09529	0.4
149.13266	0.4
151.07542	0.5
151.11176	0.3
152.76286	0.3
156.09328	0.3
163.11201	0.6
165.09128	100.0
166.09491	1.1
167.07060	1.1
168.48427	0.3
177.16374	0.4
181.12212	0.3
189.12822	0.4
193.12257	0.5
211.13316	0.4
227.12718	0.7
413.30505	0.4
475.26855	0.5
493.27771	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30233	4.5
55.05513	4.6
57.07079	52.4
65.22376	4.8
67.05508	17.7
69.07061	10.6
70.82891	13.1
71.04983	4.5
71.08629	35.6
81.07049	21.3
83.08617	8.2
85.10187	21.1
95.08612	34.4
97.10181	10.8
99.94337	4.8
109.10152	21.0
123.11672	5.4
132.16946	4.4
151.44289	5.0
209.31885	4.8
239.23657	36.6
242.54829	4.5
257.24750	4.6
313.27396	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55906	2.0
53.96104	2.2
54.30855	2.1
55.05502	7.2
55.25598	2.0
57.03423	4.0
57.07077	54.5
64.40685	1.8
67.05508	15.7
69.07070	14.7
71.08635	36.0
71.57122	2.8
80.01964	1.8
81.07063	21.5
83.08624	13.3
85.06527	2.7
85.10191	21.7
93.07052	3.7
95.08604	34.0
97.02883	2.1
97.10165	6.7
109.10168	17.0
123.11725	6.7
133.63684	1.7
137.13260	4.9
141.03894	1.7
163.03918	9.6
164.04256	5.6
165.04498	2.4
170.91414	2.1
219.79218	1.9
239.23694	39.6
257.24728	3.0
313.27374	100.0
331.28268	3.4
493.31754	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	493.3164
Annotation	24(28)-Dehydromakisterone A
Peak:m/z	Relative Intensity
51.71692	0.9
53.03947	6.1
55.01873	2.0
55.05519	13.1
57.03434	1.9
57.07074	1.8
65.03928	1.1
67.05507	20.0
69.03440	2.6
69.07075	15.8
71.04996	2.1
71.57217	0.9
79.05502	9.0
81.03426	2.7
81.06587	1.7
81.07062	27.9
81.07520	1.8
83.01344	18.4
83.05006	3.6
83.08636	6.2
85.02918	2.0
85.06577	1.0
85.94218	0.9
91.05485	8.4
93.07041	12.8
95.05000	3.3
95.08611	25.1
97.02923	2.3
97.06560	3.4
97.10155	6.4
105.07040	8.7
107.04987	3.6
107.08595	9.5
109.06535	3.3
109.10157	13.4
111.04468	1.4
111.08144	2.3
111.11754	0.9
117.07022	2.0
119.04959	1.5
119.08582	7.5
121.06569	1.3
121.10159	8.6
123.08093	3.6
123.11715	7.6
125.06010	1.9
125.09644	2.2
127.03960	2.3
129.01811	5.7
129.06984	1.8
131.08549	2.4
133.06522	1.6
133.10110	6.7
135.04419	10.6
135.08084	1.0
135.11702	5.5
137.06000	2.4
137.09599	4.4
137.13295	1.9
139.03938	1.3
139.07597	1.6
141.07222	0.9
143.08615	2.2
145.10199	3.2
147.08122	2.0
147.11703	4.8
149.06036	1.4
149.09706	2.1
149.13315	1.4
151.07565	3.3
151.11124	1.4
153.05515	7.2
157.04959	1.3
157.10190	2.1
159.11697	1.7
161.09647	3.3
161.13351	2.2
163.03976	3.6
163.07556	1.5
163.11206	1.4
165.09125	23.9
167.07056	15.3
167.08401	1.3
169.09908	1.0
171.11662	1.0
173.09702	1.0
173.13397	1.8
175.07672	1.3
175.11092	1.9
177.09193	1.7
181.04970	25.7
181.06500	1.4
183.06659	1.5
185.09706	1.0
187.11253	1.2
189.09200	2.7
191.10710	1.1
193.12332	1.2
195.06532	25.6
195.08168	1.6
199.06030	53.2
200.06409	1.6
203.10751	2.7
207.06563	3.3
207.10153	6.2
209.08096	11.2
211.13292	2.1
217.12318	1.6
221.08156	3.6
223.09666	14.3
223.11609	1.1
231.10321	2.1
235.09744	4.2
237.11235	17.7
247.09567	1.1
249.11250	18.0
251.12900	3.1
261.11316	1.4
263.12939	3.4
265.14456	2.4
291.16074	2.7
293.17679	1.7
303.15967	2.2
305.17667	1.6
317.17654	1.8
319.19189	2.9
331.19095	1.3
333.20685	1.9
347.22308	1.0
395.30112	1.3
413.30917	1.3
429.30164	8.0
431.31915	3.6
439.28610	3.2
457.29605	38.0
458.29987	1.3
463.04297	1.1
475.30597	100.0
476.30997	4.3
493.31815	55.4
494.31863	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.8
57.07069	0.4
60.42716	0.2
63.02404	0.2
65.03932	1.3
67.05489	0.7
69.07063	0.8
69.41008	0.8
69.41441	1.1
76.03748	0.2
79.05486	0.4
81.07050	1.0
83.08601	0.4
91.05487	13.1
93.07062	0.4
95.04986	0.3
95.08615	0.7
97.10155	0.3
107.08582	0.2
109.10179	0.4
119.04954	27.8
121.10138	0.6
125.61276	0.2
139.07588	0.3
147.04422	100.0
148.04752	0.9
165.05536	0.6
167.06996	0.7
195.06560	0.4
197.08107	0.5
221.08131	1.2
329.26923	0.5
334.57880	0.3
368.52386	0.3
475.30417	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	493.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.7
57.03431	0.5
57.07080	0.4
65.03935	1.1
67.05504	1.1
69.07066	0.9
79.05474	0.4
81.07052	1.1
83.08609	0.7
91.05491	12.7
93.07060	0.7
95.08596	0.8
95.13144	0.3
95.77142	0.3
98.21625	0.6
103.51044	0.3
119.04958	28.5
121.10185	0.6
135.11768	0.4
147.04424	100.0
148.04814	0.6
159.65559	0.3
165.05524	0.8
212.83281	0.3
221.08093	1.3
329.26733	0.4
475.30536	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	493.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88160	0.5
55.05499	1.9
57.03432	0.6
57.07074	1.6
57.48077	0.5
65.03943	1.5
67.05487	1.2
69.07059	1.0
69.36836	4.5
71.08633	0.6
79.05495	0.8
81.07069	1.8
83.08625	1.7
85.10185	0.9
89.13997	0.5
91.05489	10.8
93.07025	0.7
95.08588	1.1
98.21453	0.9
105.74403	0.6
109.10160	0.9
119.04951	25.6
123.04409	0.8
133.39214	0.5
147.04419	100.0
148.04767	1.5
165.05495	0.9
221.08136	1.4
313.27448	1.9
329.26889	0.8
475.30447	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	493.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03740	0.5
53.03947	2.9
54.56654	0.4
55.01867	1.2
55.05519	5.1
57.07080	1.0
65.03938	1.2
67.05515	9.0
69.07073	4.8
69.96297	0.4
69.99700	1.9
71.04990	1.2
79.05493	3.2
81.07064	7.3
83.01347	9.3
83.08619	3.1
91.05489	2.3
93.07050	2.7
95.04977	0.7
95.08615	7.3
97.02907	1.4
97.06553	0.6
97.10175	1.7
105.07057	1.2
107.04980	2.1
107.08598	1.6
109.06519	1.7
109.10165	4.2
119.08569	1.5
121.10178	1.0
123.11689	2.4
125.06062	0.5
129.01855	4.6
133.10146	0.9
135.04431	9.1
137.05968	0.8
137.13287	0.9
147.64079	0.4
151.14784	0.5
153.05495	5.7
155.07104	0.5
163.03944	1.7
163.11261	0.6
167.07072	1.5
169.04970	0.6
177.09174	0.7
178.04776	0.4
181.04967	27.1
181.35225	0.4
183.06560	0.7
189.09087	0.5
195.06548	20.7
199.06035	40.4
200.16345	0.5
207.06564	0.6
209.08095	9.8
209.09909	0.7
210.37527	0.5
213.07632	0.5
218.13258	0.5
221.08110	1.0
222.07697	0.9
223.09680	9.6
225.66142	0.4
235.09712	1.0
237.11221	8.3
249.08788	0.5
249.11223	3.4
251.12827	6.3
253.46678	0.4
263.12866	1.4
264.13055	0.4
265.14417	3.5
279.15948	1.9
291.15872	0.5
293.17474	1.9
302.78494	0.4
305.17593	0.9
307.19052	2.9
314.70126	0.4
319.19083	1.7
321.20532	1.7
333.20709	0.6
335.22250	1.0
361.23920	0.7
377.26999	1.1
429.29980	5.1
431.31693	6.5
439.28134	0.8
447.31104	28.9
448.31464	0.8
457.29520	4.3
475.30615	12.4
476.30594	0.6
493.31641	100.0
494.31973	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2812
Annotation	Mucronine B
Peak:m/z	Relative Intensity
55.05517	4.0
56.05056	0.3
57.05822	0.3
62.44983	0.3
67.05515	0.3
72.08160	45.4
79.05506	0.4
79.69431	0.3
81.07079	0.5
83.04940	0.3
85.58387	0.3
91.05502	0.7
93.07056	1.1
95.08600	0.7
103.05473	2.5
120.08113	100.0
121.08462	0.6
124.39204	0.3
129.07071	0.3
130.06506	0.3
131.32941	0.3
133.87450	0.2
171.14946	7.0
174.12790	3.0
199.12669	0.4
199.14429	6.5
219.14941	16.3
222.12772	0.8
226.31448	0.3
247.14444	20.0
267.14954	8.7
273.19580	1.1
295.14435	12.8
301.19131	3.4
321.19626	0.6
346.21243	5.5
349.19107	2.0
352.23422	0.3
366.21710	0.3
376.20468	0.3
381.72668	0.3
390.44925	0.3
394.21274	4.6
448.25897	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3162
Annotation	24(28)-Dehydromakisterone A
Peak:m/z	Relative Intensity
53.03956	4.2
55.01875	1.3
55.05507	4.4
55.23848	1.1
65.03929	1.1
67.05508	11.4
69.03436	1.6
69.07068	4.9
79.05495	5.8
81.07062	13.0
83.01353	8.9
83.04970	1.6
83.08625	3.6
91.05489	4.0
92.73499	1.0
93.07069	5.9
95.04982	1.6
95.08616	7.5
97.06538	2.1
97.10167	2.2
105.07031	4.2
107.04945	1.9
107.08607	4.6
109.06551	1.5
109.10169	4.2
112.75507	0.9
115.03954	1.0
119.08598	3.2
119.68832	1.1
119.76209	1.0
121.10153	2.4
129.01837	3.7
133.10173	2.7
135.04430	8.7
135.08043	1.7
135.11740	2.5
147.11694	1.5
149.13312	1.2
153.05484	6.4
163.03928	1.5
165.09178	3.1
167.07085	8.9
175.14836	1.4
181.04984	18.1
195.06541	19.6
195.08257	1.9
199.06038	40.3
207.06596	2.2
209.08113	8.5
221.08234	2.0
222.15887	1.1
223.09651	9.5
235.09743	1.5
237.11177	8.0
249.11353	4.3
251.12877	4.2
261.43057	1.2
263.12750	1.8
265.14291	2.2
279.15976	1.4
288.09393	1.1
307.19043	2.7
319.19141	1.7
429.29855	1.2
431.31592	11.7
439.29010	1.3
445.29471	2.8
457.29596	10.1
475.30576	18.4
493.31711	100.0
494.32162	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	492.405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	17.4
57.07061	16.0
61.38450	5.6
67.05498	19.7
67.58428	5.7
69.05843	5.6
69.07072	57.8
71.48759	9.9
79.05510	9.5
81.07076	38.6
83.08616	33.7
84.86913	6.3
91.05490	13.1
93.07055	15.4
95.08610	25.8
97.10192	15.5
105.07047	19.9
107.08601	9.0
109.10187	12.6
119.08607	20.0
121.10175	10.1
133.10147	12.3
135.08066	7.4
135.11734	7.4
147.08105	6.3
149.05937	9.6
151.07655	9.8
160.12129	6.0
165.09091	12.2
167.07063	94.6
171.11606	7.2
210.18497	6.2
212.71579	7.0
237.16287	7.1
339.44931	6.6
429.33728	21.5
447.34857	100.0
492.35712	95.5
494.27963	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	493.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50262	1.1
53.03945	4.5
55.01876	1.1
55.05522	1.4
57.32858	1.0
67.43348	1.1
68.99796	0.9
69.03428	3.6
70.08730	0.9
70.27090	1.0
71.40807	1.9
71.48855	0.9
77.42884	1.0
79.05502	1.1
81.03413	5.3
81.07076	1.9
85.02901	7.4
87.00835	3.5
91.05527	0.9
93.07038	1.1
95.04964	6.5
95.08611	2.3
97.02903	3.2
105.03399	76.0
105.04530	1.9
107.08596	1.2
109.02882	2.6
121.10179	1.2
123.08103	1.6
124.79840	0.9
127.03935	5.0
137.05972	9.7
145.05011	1.6
151.07542	7.0
159.02888	1.9
163.07509	1.7
165.09125	7.6
167.03415	33.0
191.10670	1.5
222.39761	1.0
245.08105	100.0
246.08484	1.4
389.55911	1.0
415.19070	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	8.0
55.01872	12.7
55.05512	39.2
57.03429	15.7
57.07064	1.9
59.04985	5.7
64.98913	1.9
65.03929	2.6
67.05510	50.5
69.03400	7.8
69.07074	19.0
70.08894	1.9
71.01340	2.2
71.05004	9.6
71.57399	3.6
79.05069	2.9
79.05497	52.9
81.03418	63.0
81.07058	62.0
82.95522	2.0
83.01346	11.9
83.04992	25.8
83.08620	30.1
85.02901	29.4
85.06525	4.0
91.05486	50.4
93.07048	56.2
95.04967	35.0
95.08073	2.4
95.08612	29.1
97.02850	6.8
97.06517	9.6
97.10168	10.4
99.04401	2.9
99.08090	2.5
105.07034	39.3
107.04968	16.5
107.07981	2.7
107.08601	30.4
109.02840	2.3
109.06520	11.8
109.10136	13.9
109.24999	2.1
111.04398	7.4
111.08084	10.9
113.05975	3.5
115.05418	4.1
117.07016	13.5
119.07806	2.4
119.08585	32.2
121.06473	5.3
121.10133	21.9
123.04433	2.4
123.08074	14.6
123.11670	7.4
125.05947	8.0
125.09607	5.5
127.03911	3.0
128.06203	3.2
129.07051	13.7
130.07755	2.9
131.08572	18.4
133.06453	6.0
133.10172	10.8
135.04393	3.1
135.07993	7.3
135.11702	19.2
137.09549	5.4
137.13203	2.6
139.07500	3.0
139.74358	2.2
143.08568	3.6
145.06438	2.5
145.10121	28.6
147.08011	6.7
147.11696	13.9
149.05937	2.4
149.09584	8.2
151.07568	15.6
151.11192	3.5
153.05463	2.5
153.09033	2.8
153.12703	4.8
157.10126	11.7
163.03850	4.0
163.09848	2.5
163.11185	32.0
165.09081	7.9
165.12753	2.5
167.07056	29.3
173.09613	6.0
173.13115	2.6
175.11214	17.1
177.08971	3.2
181.04977	4.6
181.12181	5.5
191.10614	6.9
191.38654	2.2
193.12251	56.5
195.06494	4.8
199.06015	13.9
209.08017	2.4
209.11819	9.8
211.11317	4.2
211.13298	69.1
223.09583	4.2
231.13654	2.5
237.11211	2.7
249.11247	3.7
267.15778	3.9
279.15714	3.5
283.15186	2.9
293.17178	2.4
383.22028	3.2
439.24445	2.1
457.29501	6.1
475.30994	25.6
493.27679	100.0
494.27954	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.4
55.01875	5.4
55.05514	14.4
57.03434	2.5
57.07083	3.0
60.82703	1.6
61.02914	2.0
67.05505	25.3
68.05868	2.4
69.03433	17.8
69.07072	13.5
70.03000	8.2
71.05009	3.2
73.02920	2.2
79.05498	27.1
81.03419	13.6
81.06580	2.8
81.07062	55.1
82.07372	2.6
83.04983	3.4
83.08630	8.6
84.22260	1.8
85.02908	39.8
85.06542	2.1
87.00838	17.6
88.48515	1.8
91.05474	11.2
93.07056	32.9
93.91662	1.6
94.07374	2.6
95.04976	2.5
95.08611	42.2
96.08943	3.3
97.02910	12.6
97.06557	4.6
97.10177	6.1
98.10474	1.7
98.20776	2.5
99.04456	5.3
105.01862	18.9
105.07053	7.5
107.08609	31.6
109.02894	18.0
109.06529	2.9
109.10175	12.5
110.07143	2.3
111.04444	1.7
111.08166	2.2
117.07032	3.2
119.08572	6.1
121.06526	2.3
121.10147	50.4
123.08074	6.5
123.11733	8.2
124.08415	3.0
125.06050	3.7
125.09626	2.8
127.03928	24.1
131.08588	6.8
133.10136	4.3
135.07977	4.5
135.11725	5.7
135.16513	2.0
137.05963	3.1
137.09581	4.6
137.13280	5.3
139.07536	3.5
145.04964	8.4
145.10158	4.0
147.04430	4.1
147.11702	5.3
149.13272	14.7
151.06404	3.8
151.07555	44.7
152.07883	20.8
153.09142	2.6
159.02924	4.1
159.11705	2.0
161.13242	3.4
163.04002	2.4
163.14835	100.0
165.09138	15.2
166.09514	6.4
167.07057	5.0
168.10178	3.4
173.13281	10.0
191.14288	17.9
209.15359	8.4
216.12321	2.3
226.18027	10.0
227.16487	2.4
231.05049	4.8
249.06099	2.7
287.05554	2.8
317.08124	2.2
343.42096	1.8
347.70419	2.0
351.21564	2.4
383.54370	1.9
438.30118	4.4
456.31671	3.0
474.29291	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	492.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34420	2.4
55.05517	22.1
57.07064	11.4
67.05502	6.2
69.06727	3.3
69.07076	40.5
69.66672	14.7
71.08624	4.2
77.37963	2.8
79.05511	5.3
81.07053	23.3
83.08632	18.8
93.07045	6.9
95.08614	22.9
97.10170	10.4
109.10169	11.3
111.11710	4.5
123.11714	5.1
137.13281	4.1
139.07568	2.7
149.05984	2.8
151.07536	3.3
157.10120	3.3
165.09137	4.0
166.61717	2.4
167.07056	93.4
175.07594	3.3
179.07091	5.4
191.10652	2.8
201.09149	6.5
205.84171	2.8
207.10117	4.8
215.10710	2.9
218.55843	3.0
385.80078	3.2
424.02866	2.9
429.33572	21.6
430.33353	3.4
447.34698	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00998	1.4
53.03942	5.1
55.01868	4.6
55.05504	6.3
57.03414	2.1
57.07069	6.4
61.02926	2.8
66.67910	2.1
67.05510	13.1
69.03434	12.0
69.07081	11.0
70.92238	3.9
71.04987	4.1
73.02923	2.8
79.05492	8.2
81.03440	8.4
81.07056	20.2
83.08631	3.3
85.02909	29.1
85.06545	100.0
86.94418	1.6
87.00837	11.8
91.05465	7.4
93.07056	30.9
95.04984	2.6
95.08604	26.8
96.53227	1.6
97.02899	9.3
97.06513	5.4
97.10155	2.9
99.04459	11.9
99.08094	7.4
101.06008	3.2
105.01862	14.5
105.07014	6.1
107.04955	2.1
107.08607	36.5
109.02884	8.9
109.06498	6.2
109.10159	12.7
111.08064	4.5
111.11716	5.3
113.09639	2.1
117.05514	5.3
119.08598	5.2
121.10150	25.0
122.07286	1.7
123.11675	4.6
125.09666	2.0
127.03921	15.7
127.07555	4.7
131.08565	2.6
133.10106	6.3
133.47427	1.6
135.08057	6.6
135.11707	4.1
137.09636	4.6
138.09920	2.3
139.07565	17.5
145.05003	8.0
145.10123	2.2
147.04338	2.6
147.11658	2.6
149.09621	5.5
149.12175	3.1
149.13266	34.9
151.11186	11.3
153.09122	17.3
157.08588	2.4
159.02895	2.4
163.14816	6.7
165.09108	25.9
166.09464	15.6
167.10645	2.3
173.13263	7.7
191.10637	1.6
191.14290	18.3
203.97733	1.4
209.15379	57.7
227.16437	39.5
231.05045	3.4
256.52863	1.6
290.50476	2.3
301.60748	1.9
366.28406	1.8
492.30017	3.4
505.28915	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.3
53.94601	2.0
55.05503	5.4
58.58627	1.8
63.08551	1.6
63.82032	2.1
67.05499	6.6
69.03442	11.3
69.07063	3.5
69.23002	2.2
69.23404	19.4
71.04989	8.8
73.02934	2.3
79.05489	3.1
81.03441	9.0
81.07059	6.9
83.05002	2.2
83.08601	2.8
85.02911	21.8
85.06580	2.6
87.00838	8.0
91.05476	5.2
93.07053	5.9
95.04362	3.7
95.04974	72.8
95.08605	8.8
97.02894	8.3
97.06548	7.7
98.21437	4.5
99.04463	20.4
99.08126	2.3
105.01869	10.5
105.07051	5.2
107.08612	10.0
109.02897	6.3
109.06539	16.9
109.10159	24.8
119.04963	3.3
119.08590	3.1
121.10171	10.2
123.08073	3.7
127.03927	16.4
131.08551	5.6
133.10127	18.7
135.08060	14.2
135.11697	2.0
139.11224	3.2
143.08611	1.9
145.04990	6.3
145.10207	2.7
149.09628	3.3
149.13281	4.7
151.11191	3.6
151.27449	2.2
153.09129	29.0
159.02835	3.9
163.07484	2.4
163.11211	3.0
163.14847	4.0
165.09158	4.6
173.13264	11.1
177.09201	1.9
178.80275	1.8
183.54004	2.0
186.05872	2.0
191.14319	56.8
191.16074	3.7
209.15385	100.0
227.12790	4.9
227.16496	7.7
231.04857	4.1
231.13846	2.7
235.10770	2.2
259.13416	3.9
277.14423	4.2
295.15451	9.9
492.23630	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	492.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	6.6
61.02916	4.1
63.07280	3.2
65.03976	3.2
67.05508	4.3
69.03428	13.9
69.07062	4.1
70.70689	5.2
70.71041	6.4
71.04987	4.2
78.04172	3.4
79.05526	3.1
81.03421	4.7
81.07068	9.3
83.08632	6.5
85.02914	28.1
87.00833	9.7
91.07827	2.8
93.07047	7.7
95.04952	18.6
95.08611	11.3
97.02888	6.7
97.06546	12.0
99.04461	8.6
105.01862	13.3
105.07048	16.7
107.08597	13.6
109.02880	7.8
109.06529	25.1
109.10159	7.0
115.07553	4.7
119.08560	7.0
121.10161	21.8
123.08076	11.3
123.11749	3.8
125.06103	3.1
127.03921	16.0
131.08566	10.8
133.10130	68.4
135.08051	7.3
145.05008	7.2
145.10098	4.5
147.11708	22.2
151.11186	11.3
153.09128	14.8
158.10989	3.8
159.02966	6.1
163.14803	6.7
165.12770	13.9
171.10196	4.5
173.13272	28.2
191.14314	56.3
209.15378	88.0
227.16422	100.0
309.39548	3.4
424.94318	3.7
425.76227	3.8
457.20816	4.5
513.92847	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	492.244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35308	1.1
53.03945	4.0
54.72351	1.2
55.01861	3.8
55.05510	3.3
57.03427	2.1
59.04985	1.3
61.02935	3.9
67.05502	5.0
68.33605	1.3
69.03429	15.3
69.07079	2.5
71.04986	4.7
73.02921	3.0
77.93604	1.1
79.05508	3.2
81.03420	14.9
81.07051	5.0
83.04985	2.1
85.02907	37.9
85.06556	3.0
87.00835	16.1
91.05502	5.0
93.07033	10.0
95.04974	4.8
95.08612	5.3
97.02898	17.1
97.06525	2.6
99.04465	7.2
105.01870	17.0
105.07030	6.5
107.08600	15.1
109.02890	13.7
109.06508	3.0
109.10164	11.5
116.63878	1.5
117.01837	2.3
117.17268	1.4
119.08584	4.3
121.10145	14.3
123.08043	3.3
123.11771	1.6
125.09600	1.6
127.03917	25.1
131.08575	5.3
133.10133	52.8
135.08046	1.6
135.11700	4.7
137.09634	4.1
141.33600	1.2
145.04982	8.6
145.10110	2.0
147.11696	4.0
149.09668	9.9
149.13280	7.8
151.11197	7.4
153.09113	1.7
158.10922	1.5
159.02876	7.2
163.14842	6.6
165.12810	2.8
173.13266	15.8
177.04636	1.3
191.14310	32.5
193.15825	2.2
209.15375	100.0
210.15900	1.6
213.03889	1.4
227.16441	31.0
231.05000	5.5
246.87729	1.5
325.64877	1.7
492.30173	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	492.244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02074	1.8
55.05518	5.6
60.87600	1.8
67.05511	3.7
69.03426	15.6
69.07082	8.8
69.16499	2.2
69.24589	20.7
71.05000	4.4
81.03443	3.6
81.07059	3.7
82.15750	1.8
83.04989	4.6
83.08663	4.2
85.02915	9.3
85.06541	2.1
87.00839	3.3
87.68237	1.8
91.05491	4.1
93.07059	3.7
95.04976	100.0
97.02914	5.1
99.04449	19.6
105.01874	4.0
105.07043	4.9
105.92570	1.9
107.08626	8.0
109.02888	2.6
109.06559	2.4
109.10218	5.4
111.08092	2.8
119.08591	4.8
121.10189	5.1
123.08107	3.4
127.03951	4.8
133.10118	11.5
135.08092	2.6
135.11685	2.9
147.11749	7.1
149.13345	2.3
151.11191	9.5
153.09128	21.6
153.62395	1.9
167.14366	8.8
173.13312	6.5
181.12344	2.8
191.14313	19.1
209.15392	61.4
227.16425	2.3
457.20731	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	492.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17971	5.0
53.03929	7.9
55.01856	6.1
55.05503	13.2
57.03413	7.7
67.05500	8.7
69.03419	21.8
70.69807	7.1
71.04997	9.7
71.23312	6.0
73.13863	4.7
74.22026	5.5
74.93616	5.6
76.11885	4.5
78.51736	4.6
79.05473	8.3
81.03423	13.9
81.07050	14.3
82.77846	5.0
83.04975	10.3
83.08611	17.3
85.02911	45.7
85.06544	6.3
87.00814	20.8
91.05458	9.3
93.07072	8.3
95.04945	41.1
95.08579	7.5
97.02902	18.4
97.06515	7.6
99.04470	12.5
105.01854	23.1
105.07043	29.4
107.08562	30.6
109.02878	13.4
109.06528	48.8
109.10118	19.9
119.08584	18.6
121.10140	36.1
123.08047	26.6
123.11730	5.9
127.03936	34.5
131.08585	10.4
133.10132	62.6
139.11194	6.5
140.28789	6.2
145.04971	14.5
145.10092	8.7
147.11719	29.7
149.13235	14.7
153.09113	27.9
159.02878	11.8
163.14806	7.1
165.12755	38.4
173.13263	47.6
191.14316	68.4
209.15363	100.0
225.14810	5.9
227.16435	85.3
231.05022	11.4
264.84647	5.9
321.51105	5.4
421.18973	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	492.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.9
57.03421	2.1
61.97522	1.9
69.03453	5.7
70.81773	3.7
73.02916	2.3
85.02915	12.2
94.76019	2.2
96.85905	2.0
97.02908	2.5
103.03940	4.9
115.05458	3.7
117.03398	2.5
131.04855	2.6
135.04427	12.6
139.03926	4.8
143.04924	10.9
145.02856	2.4
145.04987	2.3
147.04425	14.2
161.06003	27.3
163.02539	4.7
163.03909	85.2
165.05403	3.1
171.04419	5.0
173.05974	4.2
175.03943	10.9
175.07561	2.6
177.05478	7.0
181.04935	5.2
185.06009	4.8
189.05479	42.4
193.04993	40.1
203.07213	3.0
205.04982	7.7
207.06535	5.1
213.05470	15.0
215.07004	3.8
217.04987	13.9
229.05002	2.6
231.06493	16.1
235.06026	40.5
241.04987	3.6
249.07584	2.9
253.07088	2.9
259.06015	28.0
277.07111	18.3
295.08148	100.0
393.71124	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	8.9
57.03400	4.0
61.02901	3.2
62.96977	2.7
69.03426	14.7
70.06583	6.3
70.63097	3.4
71.56735	4.6
73.02892	4.8
83.39859	3.6
84.77988	3.3
85.02902	38.5
87.57922	3.3
91.05419	3.8
94.75582	2.8
97.02880	12.1
107.04977	3.7
109.02865	3.9
111.04410	7.3
121.10098	3.5
127.03883	7.6
129.06961	4.9
131.08565	3.7
135.04419	29.6
137.05983	3.6
139.03908	36.5
140.28354	4.3
143.04918	8.1
145.04977	7.5
147.04431	8.6
155.03349	6.1
157.06467	13.3
159.04532	3.7
161.05968	28.6
163.03915	45.5
163.07547	4.2
169.06511	4.7
173.06064	5.7
175.03928	7.5
175.07555	10.4
177.05463	11.9
181.04970	47.8
185.06012	22.2
187.03883	8.3
189.05498	19.1
191.03375	4.0
197.06027	4.2
197.34526	3.2
201.05463	9.1
203.03430	3.8
203.07066	10.1
205.04970	14.8
213.05495	48.2
215.07043	19.3
217.04941	11.8
231.06505	68.5
233.04459	6.4
235.06062	4.6
244.06662	4.1
247.06047	7.2
249.07655	5.4
251.05592	4.7
253.30444	3.8
259.03372	6.9
259.06024	100.0
265.07086	23.8
277.07080	51.2
295.08102	25.1
308.81256	3.2
313.09473	4.2
388.03198	3.2
427.65121	3.7
435.10919	3.4
492.08411	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	491.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12623	0.8
53.03934	2.5
55.01875	5.0
55.05511	13.0
57.03434	1.5
57.07077	45.2
65.03951	4.3
67.05507	54.2
69.07067	13.9
69.70277	0.8
69.80798	0.9
69.98946	1.8
69.99339	2.0
70.07398	0.7
71.04992	2.5
71.08633	36.1
79.05497	26.8
81.03400	3.0
81.07061	30.8
83.04987	21.2
83.08620	17.6
85.02882	1.0
85.06554	3.4
85.09708	1.6
85.10184	19.2
87.21613	1.0
91.05482	79.0
93.07037	7.4
95.04974	42.3
95.08609	33.3
97.06535	18.2
97.10178	9.7
98.21407	1.2
99.11731	1.9
103.05487	1.4
105.03381	2.9
105.07034	36.1
107.04956	1.9
107.08601	6.1
109.06525	3.3
109.10159	17.8
111.04485	1.0
111.11732	1.5
113.06016	4.6
115.05450	4.8
117.07014	16.5
119.08588	15.8
121.06547	1.0
121.10156	1.4
123.08089	1.9
123.11695	9.6
125.13281	2.3
128.06212	14.2
131.08588	10.8
133.06502	1.6
133.10132	42.3
135.08054	5.4
137.09666	1.0
137.13239	2.6
138.44780	0.8
141.07053	0.8
143.08565	17.2
147.11600	1.1
149.09691	1.4
151.11131	4.7
151.14825	2.0
161.09618	22.9
164.63618	0.9
178.91077	0.8
179.10696	3.7
239.23718	11.4
313.27380	9.7
354.63702	1.0
473.15790	1.1
491.37302	100.0
492.37643	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	491.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77220	0.4
52.43301	0.3
55.05522	2.6
57.47828	0.3
61.47681	0.4
67.05512	4.8
67.75568	0.4
69.03428	1.7
69.07073	1.8
69.77075	1.5
69.77488	0.6
79.05482	2.0
81.03411	0.7
81.06625	0.6
81.07057	4.7
83.04967	1.2
83.08611	2.2
85.02913	1.2
85.06528	0.5
87.00834	0.7
91.05480	2.0
93.07058	2.7
95.04960	1.0
95.08609	5.9
97.02896	0.5
97.06548	0.4
97.10180	2.5
98.75546	0.4
99.04433	0.6
99.08147	0.5
105.07035	2.4
107.04951	0.8
107.08591	2.5
108.62492	0.4
109.02835	0.7
109.06498	1.0
109.10156	7.0
111.08086	0.7
113.06026	0.6
113.09637	0.7
117.07021	0.5
119.08608	4.1
121.10140	1.6
122.07291	1.6
123.08067	1.6
123.11697	1.7
125.06022	0.6
125.09616	0.6
127.03899	1.3
131.08586	1.0
133.10129	1.1
135.04364	0.4
135.08072	0.5
135.11705	1.5
137.09621	12.9
137.13226	1.3
138.18906	0.4
139.07491	0.5
139.11208	0.5
141.09085	1.1
143.10678	0.7
145.04977	0.6
145.10152	1.0
147.08118	0.5
147.11710	0.6
149.09650	1.1
149.13281	0.9
151.07564	1.7
151.14771	0.5
153.09184	0.6
159.02850	0.4
159.11784	0.7
161.09642	0.8
163.11186	0.9
165.09123	100.0
166.09474	1.1
167.07066	4.0
171.11765	0.5
175.11070	0.4
175.14709	0.4
175.32161	0.4
177.05304	0.4
178.30205	0.3
181.04991	0.4
183.10231	0.4
187.09645	0.7
189.09146	0.5
189.12830	0.7
199.06020	0.6
203.10730	0.6
203.14381	0.5
207.10184	1.3
209.15465	0.6
211.09816	0.4
321.24292	1.2
339.25342	2.3
341.74252	0.4
473.25372	1.4
491.30371	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62283	0.3
53.03948	0.8
55.01852	0.4
55.05514	3.5
57.03418	0.4
57.07076	0.6
65.03928	0.7
67.05515	6.4
69.03431	1.3
69.07072	2.4
69.59331	2.2
71.04980	0.7
77.72958	0.3
79.05502	2.4
81.03413	1.1
81.07066	6.9
83.04980	0.9
83.08624	1.2
85.02910	1.1
85.06528	0.4
86.09722	1.1
87.00871	0.4
91.05473	2.8
92.05849	0.4
93.07047	3.7
95.04973	0.9
95.08617	8.2
96.08925	0.5
97.02917	0.5
97.06528	0.8
97.10191	2.5
98.21476	0.8
99.08102	0.9
105.01850	0.4
105.07044	2.1
107.04932	0.9
107.08595	3.0
109.02875	0.4
109.06525	0.8
109.10174	7.7
110.07174	1.9
111.04458	0.9
111.08093	1.3
113.09671	0.5
117.07022	0.5
118.06583	0.5
118.07330	0.4
119.08595	4.3
121.06548	0.6
121.10155	2.8
122.07293	1.6
123.08081	1.6
123.11723	2.0
125.09671	0.8
127.03947	0.7
128.10759	0.5
129.07040	0.4
131.08597	1.0
133.10146	1.6
135.04388	0.7
135.08076	1.5
135.11716	1.1
136.05083	0.6
136.07568	0.5
137.05963	1.0
137.09633	11.9
137.13252	1.4
139.07536	0.8
141.09077	1.1
143.08618	0.3
145.10135	1.0
147.04448	0.6
147.08113	0.6
147.11703	0.9
149.05968	0.6
149.09613	1.6
149.13255	1.3
151.03926	0.4
151.07549	1.4
151.11168	0.4
153.09137	0.7
157.10127	0.5
159.11723	0.5
160.06023	0.4
161.05922	0.3
161.13313	0.8
163.03931	0.5
163.11218	0.7
163.14790	0.7
165.09132	100.0
166.09460	3.6
167.07074	4.8
167.09576	0.7
173.13222	0.8
175.11176	0.7
177.09172	1.0
179.10718	0.6
181.04901	0.9
181.12274	1.0
189.09100	0.6
189.12759	0.8
191.10648	0.6
195.06503	0.8
199.05983	1.8
201.09102	0.4
203.14363	0.4
205.12331	0.8
207.10167	0.7
216.12341	3.2
217.12457	0.4
218.44498	0.4
242.08041	0.5
243.08401	0.6
249.11215	0.6
303.23151	0.7
321.24271	1.4
339.25211	1.9
445.29572	1.1
473.28729	2.8
491.29913	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
55.01884	0.3
55.05503	1.7
56.88652	0.4
57.07078	0.4
63.22576	0.4
67.05172	0.4
67.05502	5.6
69.03396	0.4
69.07067	1.1
69.59391	1.4
69.59801	1.0
72.46178	0.4
72.65285	0.3
79.05479	1.5
81.07057	5.2
83.01350	0.8
83.04993	0.6
83.08611	0.5
85.06519	0.5
91.05466	1.4
93.07045	1.9
95.08612	5.8
97.06551	0.8
97.10159	1.5
99.08099	0.5
100.08488	0.3
105.07037	1.2
107.04964	0.7
107.08586	2.8
109.06549	0.4
109.10165	5.1
111.04436	0.3
113.06002	0.4
117.06997	0.5
119.08571	3.5
121.10178	1.5
122.07271	1.3
123.08083	0.8
123.11702	0.4
125.05984	0.4
125.09636	0.6
131.08546	0.9
133.10114	0.7
135.04419	0.5
135.08072	0.5
135.11691	1.0
137.05878	0.3
137.09622	12.4
137.13194	0.6
139.07574	0.7
141.09087	1.0
145.10107	0.8
147.11678	0.6
148.16617	0.3
149.09550	0.7
149.13264	0.6
151.07550	1.4
151.11133	0.4
159.11703	0.5
161.13251	0.7
165.09120	100.0
166.09485	1.2
167.07060	0.9
171.11641	0.4
173.13304	0.6
175.11223	0.5
181.04971	1.0
187.09703	0.8
191.10594	0.3
195.06595	1.0
195.17403	0.5
199.06036	1.5
237.11215	0.6
239.16472	0.4
249.11235	0.5
275.23633	0.5
293.24628	0.5
321.24200	1.2
338.91580	0.3
339.25348	2.1
473.28931	4.1
491.30331	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.3
55.05512	1.0
57.03430	0.2
57.07069	0.2
62.88955	0.2
67.05165	0.3
67.05508	3.9
67.36462	0.2
69.03426	0.4
69.07061	0.7
69.54357	0.4
69.54766	1.1
71.05021	0.4
74.72334	0.2
79.05484	1.1
81.03430	0.2
81.07060	3.9
83.04965	0.8
83.08628	0.4
85.02899	0.3
85.06546	0.6
91.05482	1.4
93.07049	1.8
95.04961	0.5
95.08617	3.3
97.02872	0.2
97.10147	0.4
99.04427	0.2
99.08093	0.2
101.06000	0.5
103.05476	0.3
105.07039	0.9
107.03415	0.2
107.04967	0.6
107.08585	1.3
109.06509	0.5
109.10167	6.2
111.08100	0.2
113.09663	0.5
117.07048	0.2
119.08584	3.6
121.06500	0.6
121.10143	1.1
122.07275	1.8
123.08105	1.1
123.11709	1.7
129.05415	0.2
131.08556	0.4
133.10114	0.6
135.08136	0.3
135.11697	0.6
137.06012	0.3
137.09625	11.5
137.13255	0.7
141.09117	0.3
145.10112	0.4
147.04416	0.5
147.11670	0.3
149.09673	1.2
149.13304	0.9
151.07565	0.9
151.11160	0.3
153.09099	0.2
159.11674	0.4
161.13249	0.3
163.03877	0.3
163.11275	0.3
163.14841	0.3
165.09125	100.0
166.09468	1.6
175.11217	0.7
175.14857	0.3
177.09096	0.5
179.08580	0.2
179.10547	0.4
187.09680	0.2
187.11234	0.2
189.09085	0.2
189.12798	0.5
199.06000	0.2
201.11221	0.2
203.10748	0.3
203.14333	0.6
205.12251	1.4
209.15425	0.3
225.14908	0.3
275.23767	0.3
293.24686	0.5
321.24170	1.2
339.25296	1.2
371.12427	0.2
427.32330	0.2
473.33014	0.6
519.95551	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	1.9
57.03441	1.0
57.07066	0.7
63.02368	0.4
67.05505	1.3
69.07075	1.9
70.18360	0.7
70.18700	0.2
76.41561	0.2
79.05500	1.6
81.07070	1.2
83.08628	1.2
89.03400	0.4
89.03924	5.0
91.05469	0.5
93.07040	0.7
95.04945	0.4
95.08604	0.7
95.83003	0.2
97.06541	0.3
97.10199	0.5
107.04260	0.3
107.04947	1.6
107.08606	0.4
109.10175	0.2
117.03382	6.5
121.10146	0.3
135.04427	13.9
135.11746	0.3
145.02856	9.7
163.03914	100.0
164.04247	0.4
170.78375	0.2
181.04990	1.5
181.08400	0.2
186.05502	0.2
186.34171	0.2
237.07626	0.2
237.22121	0.2
444.82248	0.2
491.29971	3.8
491.36398	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3007
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
52.45928	2.4
53.03942	10.7
53.44263	2.3
53.92530	2.3
55.01879	5.3
55.05519	38.0
57.03432	9.3
59.05014	3.6
65.03953	7.1
67.05168	5.2
67.05509	69.3
67.88399	2.3
69.03437	3.0
69.07069	17.3
70.52220	2.3
70.70760	7.0
70.71114	3.2
71.04991	5.7
75.15755	2.3
79.05056	5.1
79.05500	90.9
79.05962	5.2
81.03426	64.0
81.07063	72.9
83.04544	3.1
83.05000	22.5
83.08624	30.2
85.02920	18.2
85.06530	4.1
91.05489	100.0
93.06467	4.4
93.07053	75.7
95.04975	38.8
95.08610	38.5
97.06541	5.2
97.10189	13.5
99.08098	3.4
99.12772	2.6
100.41614	2.5
105.04541	2.5
105.07034	62.4
107.04957	14.3
107.08592	26.7
109.06533	8.3
109.10163	11.8
111.08075	9.2
113.09738	2.3
115.05460	6.3
117.07008	16.5
119.04967	4.9
119.08592	46.1
121.06563	4.5
121.10136	14.3
123.08054	10.0
123.11726	9.4
125.09626	3.9
127.07597	3.4
128.06258	5.7
129.06995	24.3
131.08597	13.8
133.06490	4.7
133.10141	21.2
135.08109	6.4
135.11722	5.2
143.08591	12.8
145.10155	10.5
147.08032	6.9
147.11694	44.6
149.09619	6.8
151.07567	21.3
157.10123	13.7
161.09598	3.3
161.13303	10.1
165.09152	4.5
165.12724	3.4
167.07039	6.2
171.11713	30.2
175.11182	11.6
185.13196	3.0
187.13263	3.0
189.09085	2.8
189.11232	4.6
189.12807	9.7
191.10728	4.5
193.12244	38.6
207.13782	23.6
211.13292	29.5
227.12764	4.4
231.13849	3.8
249.14929	6.3
263.68472	2.5
267.15952	26.6
278.73618	3.3
281.17535	21.0
363.23196	4.2
381.77127	3.1
384.96848	3.0
445.30374	3.1
473.29077	43.9
491.30173	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	491.1187
Annotation	6''-O-Acetylastragalin
Peak:m/z	Relative Intensity
53.03946	2.8
55.01857	1.0
55.04989	0.3
55.05497	0.6
57.03418	0.5
61.02924	0.5
65.03938	0.4
65.74284	0.3
65.94352	0.3
67.05496	0.6
68.99787	0.4
69.03071	0.6
69.03432	9.3
69.03802	0.6
69.42028	3.0
69.77499	0.4
70.03784	0.4
71.04978	1.4
73.02914	1.1
81.03420	12.5
81.07053	1.3
82.03793	0.4
83.04974	0.4
83.57481	0.3
85.02425	0.5
85.02909	7.1
86.03247	0.6
87.00830	0.6
91.05478	0.4
93.07036	1.1
95.04943	0.5
95.08615	1.0
97.02888	4.8
98.03239	0.4
99.04465	2.1
105.01815	0.4
105.07031	0.6
107.04945	0.4
107.08596	0.9
109.02881	7.6
109.06525	0.7
111.00835	0.5
119.08563	1.0
121.02859	2.9
121.06468	0.4
121.10124	0.4
123.08050	0.4
123.11671	0.4
127.03920	6.7
128.04283	0.3
133.02844	0.5
133.10089	0.3
137.02333	0.6
137.09596	1.1
145.05016	1.6
145.06392	0.5
145.10136	0.5
147.04398	1.7
147.11699	0.6
149.02269	0.4
151.07562	0.6
153.01831	3.4
157.06464	0.8
161.09624	0.3
162.09914	0.3
163.11075	0.4
165.01834	1.9
165.09131	6.0
165.12787	1.9
166.13069	2.3
180.14717	0.3
183.02933	1.0
186.52231	0.3
187.06035	5.8
189.12680	0.4
207.13817	1.2
208.14131	1.2
213.05489	1.6
221.43611	0.3
225.11334	0.5
226.11685	0.4
241.04951	0.5
258.05246	1.4
259.05814	0.4
287.05502	100.0
288.05826	1.9
329.06604	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
54.18070	0.6
55.01867	1.2
55.05509	2.1
61.92651	0.7
67.05510	6.0
67.61052	0.7
68.05843	1.1
68.99797	10.5
69.07063	1.1
71.05008	0.9
71.56077	0.6
79.05494	2.8
81.03410	0.9
81.07069	4.7
82.07369	0.6
83.04984	1.2
83.08625	1.0
89.03923	4.1
89.19355	0.6
91.05476	3.7
93.07036	2.2
93.27007	0.7
95.04961	2.6
95.08617	6.1
96.08952	1.6
97.06523	0.8
97.10155	1.2
103.05455	1.5
105.07026	2.0
107.04943	3.4
107.08595	1.8
109.02878	1.0
109.06459	0.8
109.10167	8.6
109.45914	0.7
110.10500	2.1
111.00818	2.3
111.08109	1.5
113.06051	1.0
113.09618	1.0
115.05471	1.1
117.03374	5.1
119.04980	0.8
119.08594	4.4
120.08918	1.2
121.06641	0.7
121.10140	1.2
122.07287	2.4
123.04440	5.0
123.08108	1.4
123.11686	2.5
124.12029	0.8
125.09623	0.8
127.03905	0.8
129.07002	1.2
129.09161	0.9
131.04929	5.3
133.06456	0.9
133.10139	1.3
135.04434	10.9
135.08011	1.2
137.02357	10.0
137.03416	1.3
137.05951	4.5
137.09627	13.4
138.09959	6.4
141.09114	0.9
143.04973	1.0
145.02869	8.7
145.10132	1.1
147.04416	10.9
149.05963	1.6
149.09616	1.6
151.07573	2.5
157.08601	0.8
159.04375	3.2
159.11671	1.1
161.06004	1.3
163.03923	62.4
165.09131	100.0
166.09468	49.3
167.07057	2.2
167.09717	5.4
169.06438	1.2
171.04439	2.6
175.03925	8.3
175.11223	0.7
176.04744	0.8
177.05490	11.0
177.09081	0.8
185.06033	1.0
187.03896	3.9
189.05534	1.7
197.05946	1.7
199.03940	4.9
201.05627	1.0
203.03448	9.4
203.14113	0.7
205.04991	13.3
205.12256	1.3
213.05504	2.5
215.03470	1.7
227.03419	8.2
231.06419	1.2
241.04959	1.5
245.04480	24.4
249.09084	0.8
261.03952	1.1
269.04489	1.8
271.02408	2.7
271.07715	0.7
277.08691	1.2
287.05695	4.1
305.08026	1.1
313.03281	1.3
315.06512	1.2
317.08047	0.7
323.09232	1.5
333.07431	1.1
337.23618	1.0
338.24249	0.8
343.06033	1.2
351.08807	2.4
361.07227	0.9
379.08163	8.4
381.09753	19.8
403.08273	1.2
405.10083	1.5
407.07590	7.5
413.06702	1.4
431.07767	6.7
445.08813	1.2
447.11118	0.9
449.08728	5.8
455.07648	1.9
473.08942	6.7
490.32794	0.8
491.09814	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	491.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57193	0.6
53.03925	0.7
53.35009	0.6
53.83254	0.6
55.05511	0.8
57.24817	0.8
63.02365	0.9
67.05491	1.4
68.99431	1.1
68.99792	17.4
71.41126	1.3
71.41467	1.2
79.05476	1.2
81.07047	1.4
89.03918	7.5
91.05473	0.9
93.07059	0.7
95.04977	1.2
95.08601	2.2
95.20385	0.7
103.05478	2.5
107.04958	2.5
109.10171	1.5
111.00798	3.5
115.05439	1.5
117.03377	7.6
119.05021	0.9
119.08568	1.1
123.04423	7.9
131.04939	8.3
135.04424	16.3
137.02351	15.9
137.03407	1.6
137.06003	1.3
137.09592	4.2
138.97586	0.6
143.04968	1.3
145.02853	14.1
147.04417	16.4
149.05962	3.1
149.09674	1.0
153.38246	0.7
159.04405	4.7
161.05984	1.9
163.03917	100.0
165.09126	37.3
166.09427	0.9
167.04826	0.9
169.06540	1.7
171.04353	4.7
173.05971	1.0
175.03949	14.0
177.05489	16.7
185.06033	1.3
187.03893	8.8
187.05289	0.9
189.05467	4.3
191.03342	0.9
195.04425	1.3
197.05957	1.7
199.03915	8.2
201.05481	2.0
203.03404	12.8
205.04961	20.2
213.05429	3.6
215.03409	2.3
217.04956	1.6
227.03407	12.6
231.06549	2.6
241.04948	2.3
243.03000	1.1
243.06303	1.4
245.04469	39.8
269.04391	4.5
271.02414	5.3
271.05667	1.3
285.04300	0.8
287.05298	9.3
289.08667	1.5
305.08096	2.8
311.05621	1.1
313.03345	1.6
315.06555	2.7
320.07083	0.9
321.24274	0.8
323.09164	3.2
329.07547	0.9
333.07587	1.7
343.05823	1.5
351.08676	4.8
357.07608	1.3
361.07132	1.6
379.08142	15.0
381.09741	29.5
385.07114	1.6
403.08276	2.8
405.09927	2.0
407.07660	13.1
413.06668	2.1
427.08191	0.9
431.07663	13.8
445.09369	2.1
449.08682	14.7
455.07526	3.4
473.08646	18.4
491.09796	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
64.53292	2.4
69.03430	6.3
69.36617	20.0
71.04978	3.8
83.04965	3.2
84.17046	2.3
85.02905	12.9
89.06037	5.0
91.05463	8.0
93.07037	4.2
95.05003	3.7
95.08664	3.1
95.50824	3.1
97.02882	5.6
98.21515	6.1
99.04427	4.0
105.07012	9.7
107.08601	4.5
109.02934	3.5
109.06509	4.3
109.10171	3.8
119.08591	14.1
121.10130	3.7
123.08093	2.8
125.09674	3.5
127.03901	4.4
131.08572	4.4
133.06512	5.9
133.10071	3.6
145.10126	16.1
147.11703	29.2
155.10699	3.6
156.09450	2.7
171.11601	6.0
174.10660	3.0
189.12759	100.0
199.19527	2.5
203.40115	2.6
207.13829	42.3
221.08990	2.8
225.14833	3.6
242.08110	19.1
303.04971	10.4
377.01923	4.6
491.29855	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	490.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
64.21672	2.3
69.03425	4.5
71.01607	6.1
72.79630	2.1
81.03434	3.5
81.07052	6.5
85.02910	30.1
87.00821	3.0
91.05493	4.0
97.02963	2.4
99.04443	2.5
105.01868	3.1
105.07011	12.5
107.08590	3.3
109.02876	3.1
119.08614	15.0
121.10169	2.6
123.11700	17.8
127.03938	3.2
129.07039	2.6
131.08565	2.9
133.06465	5.5
133.10074	2.4
135.08084	2.8
143.08510	3.0
145.10126	15.1
147.11705	25.1
149.09601	3.6
156.09322	3.8
171.11693	8.6
188.11064	2.7
189.12761	100.0
207.13806	33.4
225.14897	6.5
264.82574	2.4
424.09119	2.5
443.07260	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.7
55.01881	9.8
57.03437	6.4
61.02932	6.0
67.00222	1.9
68.99807	4.2
69.03435	31.6
69.07083	2.9
71.05000	7.6
71.10969	3.5
73.02906	7.8
79.05510	3.1
81.03422	27.1
81.07053	2.3
83.04966	1.8
85.02913	89.0
87.00837	38.1
91.05478	5.6
93.07056	6.3
95.08616	3.0
97.02900	37.5
99.04457	19.0
105.01879	40.6
105.07070	10.3
107.08614	19.9
109.02885	29.3
109.06586	3.1
115.03994	2.6
117.01856	6.6
119.08591	8.7
121.10159	25.8
123.08139	2.7
123.11779	2.3
127.03932	64.8
129.01854	2.5
131.08589	7.9
133.10094	2.0
137.06023	3.1
137.09627	8.5
145.04970	30.1
145.10172	3.2
147.02895	3.5
147.04457	3.2
147.11687	29.2
149.09630	100.0
156.09387	3.2
159.02907	18.9
161.13339	3.1
165.12773	17.1
171.11728	6.8
179.14288	2.1
189.12766	35.4
207.13824	74.0
213.03925	3.6
225.14868	98.9
231.05000	15.0
249.06155	3.7
307.69925	2.0
490.20981	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	490.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
60.66050	1.9
69.03441	3.8
69.52365	16.4
79.07456	2.0
79.25468	2.2
85.02895	6.7
91.05483	3.8
93.07053	4.8
97.02918	3.9
98.21474	4.3
99.04430	3.0
104.06380	2.1
105.07008	10.4
107.08593	5.9
109.06528	2.8
117.07013	2.6
119.08585	14.0
121.10154	6.3
122.98460	2.3
123.11724	3.9
127.03905	5.6
133.06506	6.0
140.27423	2.6
145.10109	16.0
147.11710	28.9
149.09634	16.9
156.09344	3.9
165.12805	2.4
171.11763	4.8
174.10420	2.3
182.39169	2.3
189.12759	100.0
190.12943	2.4
206.09851	2.2
207.13783	22.8
225.14781	11.2
244.31755	2.0
304.07834	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	490.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.6
55.01873	7.9
57.03432	10.8
61.02929	6.8
64.08885	3.1
68.99779	3.2
69.03435	27.5
70.86345	3.6
70.86685	6.0
71.04987	8.9
73.02913	9.7
74.86418	2.8
81.03430	32.9
84.13555	2.8
85.02917	85.2
87.00838	44.1
91.05453	7.2
93.07030	7.8
95.08604	5.0
97.02897	41.4
99.04459	16.2
105.01881	49.0
105.07013	11.1
107.08614	16.9
109.02900	34.3
109.10165	4.7
110.07182	4.4
119.08591	8.0
121.10145	25.0
123.08073	21.1
123.11722	3.2
127.03933	63.8
129.01814	3.2
131.08595	7.9
133.10173	3.2
137.09621	11.0
145.04971	37.7
145.10056	4.2
145.35550	3.1
147.04416	4.0
147.11710	29.7
149.09631	100.0
159.02924	20.0
161.13298	3.6
165.12770	18.6
171.11716	6.9
189.12756	39.5
205.38200	3.0
207.13832	94.2
225.14883	93.7
231.04961	13.0
366.17004	3.1
408.55408	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.8
55.01855	2.9
55.05511	3.6
55.47037	1.0
57.03439	1.9
63.38653	0.8
64.01697	0.8
65.44418	0.7
67.05502	1.4
69.03440	5.6
69.07069	1.4
70.69328	0.9
70.69666	2.4
71.05000	1.7
73.02921	1.1
81.03425	5.7
81.07062	4.5
83.04980	4.1
85.02422	1.6
85.02908	25.1
85.06523	1.0
87.00828	5.9
91.05472	1.7
93.07047	4.1
94.58758	0.9
95.04957	1.6
95.08608	3.1
97.02880	10.4
97.06503	1.3
99.04466	3.4
105.01872	5.4
105.07033	4.9
107.08589	8.2
109.02879	8.4
109.06527	12.6
109.10165	2.6
111.08083	5.4
117.01848	1.0
119.08578	5.3
121.10138	10.9
123.08098	3.0
123.11730	14.8
127.03927	10.5
131.08592	1.6
133.10150	2.5
135.08098	1.4
135.11679	1.9
137.06021	0.9
137.08641	1.8
137.09624	21.8
137.13242	2.0
145.04956	2.8
147.07990	2.0
147.11696	13.0
149.02393	1.6
149.09621	4.0
151.07582	1.7
159.02879	2.5
161.09567	1.3
161.13283	5.8
163.11134	0.9
165.12764	100.0
171.11722	2.4
174.10493	2.4
179.14339	7.0
189.12758	16.0
207.13821	47.6
213.03876	1.0
231.04987	3.9
287.05582	6.4
318.72430	1.0
322.66736	1.0
367.96381	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.3
57.03431	1.8
57.07079	1.3
61.74936	0.8
65.03963	1.1
67.05513	6.5
69.07071	3.6
73.97588	0.9
79.05498	3.2
81.07063	5.4
83.04990	0.9
83.08613	1.1
87.04501	1.1
91.05499	11.6
93.07047	4.2
95.08617	5.1
105.07059	1.8
106.05403	0.8
107.08601	2.5
109.10192	4.2
119.04963	18.6
119.08595	2.5
121.10162	1.7
123.11716	1.5
133.10129	2.2
135.11707	1.7
145.10147	1.1
147.04425	100.0
159.11761	0.8
161.13234	1.1
165.05472	2.2
173.11902	1.0
173.13234	0.9
307.22821	0.9
397.30853	1.1
405.57446	0.9
471.34671	1.1
489.36615	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	489.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34205	0.2
55.05516	1.9
65.38902	0.2
67.05508	5.4
69.03425	0.7
69.07066	1.1
71.05010	0.4
71.56310	0.4
78.63367	0.3
79.05496	1.7
80.49504	0.3
81.03400	0.5
81.07065	4.3
82.56363	0.2
83.04981	1.6
83.08623	0.6
84.22160	0.3
85.02889	0.8
85.06524	0.5
87.00834	0.4
91.05469	1.7
93.07057	2.3
95.04971	0.9
95.08614	11.2
96.08960	0.3
97.02914	0.5
97.06529	0.5
97.10177	0.5
103.05464	0.4
105.07050	1.9
107.04961	0.5
107.08607	2.0
109.02823	0.3
109.06522	0.6
109.09463	0.4
109.10167	7.3
111.04461	0.3
111.08061	0.5
115.04015	0.3
117.07028	0.7
119.08578	3.7
121.06522	0.8
121.10143	2.0
122.07333	2.1
123.08096	2.5
123.10892	0.3
123.11726	1.0
125.05991	0.4
127.03959	0.6
129.05502	1.2
129.06989	0.5
131.04909	0.6
131.08536	0.5
133.06480	0.3
133.10120	1.1
135.08044	0.8
135.11685	1.1
137.05992	2.4
137.09622	11.7
137.13184	0.3
139.07550	0.4
139.11151	0.5
141.09116	2.5
145.10101	0.8
147.04399	0.5
147.08054	0.6
147.11708	0.5
149.09648	3.2
149.13260	0.4
151.07545	1.0
151.11229	0.4
157.10110	0.5
159.11734	0.6
161.09621	0.3
161.13309	0.7
163.07568	1.3
163.11162	0.4
163.14832	0.7
165.09125	100.0
166.09448	1.3
169.08630	1.2
171.11787	0.4
173.13284	0.7
174.10387	0.3
175.11191	2.0
177.09146	1.0
179.10712	0.3
181.06422	0.3
183.10150	0.5
187.09639	0.5
187.11166	0.4
187.14923	0.6
189.09125	0.5
189.12807	1.4
191.10684	0.5
201.12744	0.6
203.10713	1.1
203.14412	0.9
205.12253	2.4
205.15788	0.3
207.26480	0.3
222.77635	0.3
223.16908	0.4
225.14801	0.3
256.35748	0.3
275.19833	0.3
283.09689	0.4
287.20032	0.3
301.21671	0.5
307.22339	0.4
311.09143	0.3
319.22665	0.8
337.23758	1.1
339.15842	1.0
443.32184	0.3
453.30017	0.9
471.12668	0.4
471.31116	1.1
480.78452	0.3
489.14371	0.6
489.22073	0.3
489.31784	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
55.05514	3.7
57.03428	0.5
57.07078	0.8
59.04989	0.5
60.29462	0.5
67.05511	7.1
69.03438	3.1
69.07076	4.2
70.09448	2.7
71.04980	1.1
75.31552	0.5
76.92222	0.6
79.05502	3.2
81.03403	1.7
81.07064	9.5
83.04960	0.7
83.08612	1.7
85.02911	4.1
85.06531	1.1
86.09737	0.8
87.00812	1.3
91.05477	2.3
93.07049	4.7
95.04964	1.2
95.08623	10.0
97.02890	1.7
97.06532	1.2
97.10188	2.6
97.84629	0.5
98.74541	0.5
99.04459	0.8
105.01861	1.1
105.07037	3.6
107.04968	0.7
107.08602	3.4
109.02898	1.6
109.06530	1.1
109.10175	9.5
111.08091	1.5
114.97572	0.6
117.07053	1.2
119.08599	6.9
121.06490	1.0
121.10136	4.2
122.07311	1.7
123.08064	2.9
123.11706	2.5
125.06023	0.7
125.09647	1.3
127.03951	2.7
131.08598	1.2
133.10159	2.7
135.08069	1.2
135.11722	1.9
137.05989	1.2
137.08655	0.9
137.09639	12.6
137.13292	0.8
139.07605	0.6
143.08527	0.8
145.05061	0.6
145.10167	1.4
147.08025	0.6
147.11693	1.7
149.09636	3.2
149.13278	1.2
151.07559	1.6
157.10124	0.7
159.11690	1.6
161.09628	0.8
161.13271	0.7
163.07535	0.7
163.11244	0.6
163.14772	0.7
165.09131	100.0
166.09479	0.9
167.07083	2.0
167.14459	0.6
171.11661	0.8
173.08080	0.7
173.09631	0.8
173.13251	0.7
175.11186	1.4
175.52686	0.6
177.09126	2.6
179.10710	1.1
185.13206	0.8
185.64951	0.5
187.11209	1.0
189.09099	0.6
189.12801	1.1
191.10759	1.1
201.12744	0.8
203.10619	1.2
205.08754	0.5
205.12299	4.4
205.19603	1.9
207.10228	1.0
209.13518	0.7
213.03993	0.6
223.20566	2.2
241.21706	1.2
287.16446	0.6
309.24240	0.9
337.23737	0.6
353.47897	0.5
362.87732	0.6
427.32565	0.7
453.29773	0.8
489.28122	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64502	4.0
53.03946	5.3
55.01877	4.0
55.05499	19.4
57.03432	12.6
57.07067	6.6
60.03007	3.9
61.02921	5.9
65.89096	4.5
67.05508	79.9
69.03432	4.3
69.07072	15.6
71.08638	7.0
71.13939	11.0
79.05503	34.1
81.07066	100.0
83.04980	4.4
83.08609	12.2
85.02905	5.0
91.05484	34.9
93.07049	41.4
95.04958	9.1
95.08607	73.8
97.02893	6.9
97.06503	7.0
97.10182	6.0
99.08098	5.7
105.07044	20.2
107.08578	19.0
109.06523	5.4
109.10177	26.5
113.09660	4.8
117.06895	4.1
119.08585	23.9
121.10170	24.2
123.11683	12.2
123.62766	3.8
124.31233	4.1
131.08575	7.0
133.10172	21.2
135.11703	16.8
137.09612	5.1
137.13274	12.6
147.04390	15.1
147.11691	20.0
147.65952	4.2
149.01263	4.4
149.13252	9.2
151.14819	11.5
159.11743	5.0
161.13251	16.1
165.09105	4.2
171.11707	4.1
175.14821	9.2
185.13171	4.2
217.19505	54.9
235.20598	43.2
272.60608	3.8
294.54459	4.5
309.24274	36.3
455.27707	4.7
462.63452	4.1
489.32605	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	40.1
57.03440	13.1
57.07080	69.1
59.06126	11.8
61.50565	8.1
67.05508	64.4
69.07060	35.9
70.12968	31.2
71.08629	26.2
77.03914	7.6
79.05497	27.0
81.07061	57.7
83.08621	29.8
85.06526	8.5
85.10217	15.2
87.04454	22.4
91.05499	57.0
93.07036	34.9
95.05030	9.3
95.08617	67.7
97.06542	13.4
97.10172	16.7
104.69965	8.3
105.07057	36.6
107.04978	8.6
107.08569	13.4
109.10159	39.3
119.08586	18.9
121.06483	10.2
121.10159	26.1
133.06555	8.0
133.10141	22.4
147.11707	12.1
158.56140	7.5
177.16415	18.8
183.17465	42.9
250.26137	7.9
257.21112	100.0
269.21140	22.9
287.22171	63.3
469.38812	53.8
487.36917	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43690	2.1
52.96382	1.7
53.03952	14.1
55.01884	11.3
55.05516	38.7
57.03416	7.4
57.07079	2.3
59.04993	3.6
60.92841	1.9
65.03921	6.9
67.05510	83.4
69.03439	4.5
69.07076	15.8
69.23360	6.1
69.23784	13.2
70.00155	2.0
71.01358	2.7
71.04995	9.4
73.06541	2.7
79.05499	100.0
79.93545	1.9
80.05806	3.7
81.02993	2.3
81.03426	29.4
81.07063	69.7
82.07362	2.3
83.01315	6.9
83.04987	30.6
83.08620	18.8
83.88703	1.8
85.02906	3.8
85.06527	4.8
91.05486	96.0
92.05777	4.2
93.07048	86.4
94.07366	3.8
94.30543	2.0
95.04447	2.8
95.04977	36.0
95.08614	41.5
97.02897	2.9
97.06527	10.9
97.10151	4.1
99.04450	3.6
103.05454	2.6
105.07040	61.3
106.07361	4.5
107.04301	1.9
107.04967	22.9
107.08594	33.7
109.06504	12.9
109.10152	7.4
111.04458	3.0
111.08057	3.9
115.05453	2.5
117.07007	23.0
119.07796	2.4
119.08592	33.8
121.06471	8.1
121.10137	13.9
123.08077	18.2
125.05965	3.4
125.09612	4.1
127.07561	2.6
128.06177	4.5
129.07001	25.0
130.07814	3.5
131.08553	8.0
133.10141	11.1
135.08078	2.8
135.11726	14.6
137.09624	3.1
138.05293	2.3
139.11176	2.4
143.08580	9.4
145.09210	2.3
145.10158	27.2
147.08044	3.8
147.10632	3.1
147.11702	36.4
149.02333	3.5
149.09607	2.5
151.07462	1.9
153.12738	4.8
155.08566	2.3
159.11642	2.7
161.09579	3.7
161.13264	18.1
163.11194	27.3
165.09023	2.2
165.18309	2.3
169.69322	2.0
171.11693	30.0
173.09622	4.3
181.12196	6.3
189.12770	14.3
191.10661	2.9
200.75128	2.1
207.13817	35.9
209.11707	6.8
219.42838	2.2
225.14864	3.2
227.12637	4.4
276.57562	1.9
281.17450	2.9
378.99271	2.2
406.14679	2.1
471.27328	3.9
473.14337	4.2
489.28378	67.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3433
Annotation	24-Epi-acerinol
Peak:m/z	Relative Intensity
53.03941	5.9
55.01876	2.9
55.05513	26.3
57.03445	8.8
57.07064	3.6
65.03938	4.8
67.05507	72.5
69.07075	19.8
70.01823	5.7
71.01341	3.8
71.04988	4.8
77.03936	2.3
79.05497	90.6
80.79892	1.3
81.03426	4.9
81.07058	49.6
83.04977	6.8
83.08646	9.2
85.06553	4.1
91.05483	46.2
93.07048	88.8
95.04975	11.8
95.08614	25.2
97.06529	11.5
97.10162	9.6
99.08090	3.6
105.04548	2.4
105.07030	23.0
107.08603	32.3
109.06567	1.9
109.10167	10.4
111.08074	4.2
115.05415	1.7
117.07025	14.4
119.08584	16.8
121.06538	1.6
121.10149	41.7
121.11036	2.3
123.11768	1.8
125.09628	3.6
128.06244	1.6
129.07019	4.4
130.07773	2.1
131.08557	10.3
133.10117	14.4
135.08121	1.3
135.11694	44.6
137.09653	1.8
143.08591	6.5
145.10124	18.9
147.11653	6.9
149.09676	1.4
149.13246	3.6
153.12762	2.0
155.08571	2.8
157.10170	5.8
159.11703	7.1
161.09554	1.6
161.13261	2.1
163.11215	5.7
169.10097	2.9
171.11664	6.3
173.13275	5.7
181.12265	7.4
183.11732	3.8
185.11682	1.4
185.13306	4.4
186.58672	1.5
187.14833	2.3
189.97440	1.3
195.11691	2.2
197.13315	1.9
199.14952	1.7
209.13153	1.6
211.14949	1.8
215.17969	4.4
217.19861	1.4
233.19012	2.3
251.17905	1.5
255.15923	4.5
313.27527	1.6
315.28326	1.5
377.28323	2.4
395.29343	7.3
402.08072	1.4
404.17499	1.3
413.30676	1.7
469.33224	4.4
487.34232	100.0
488.01517	1.3
488.34619	4.1
505.40881	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	2.4
53.03948	10.6
55.01872	2.8
55.05516	23.1
57.07050	2.2
65.03934	4.0
67.05508	64.0
69.07066	11.4
71.04994	3.5
71.34524	3.3
71.98170	1.7
73.06552	3.5
75.33511	1.5
77.03926	2.1
79.05496	100.0
81.03420	13.5
81.07066	52.0
83.04978	15.1
83.08628	6.5
85.06548	3.0
87.04479	6.1
88.04798	2.5
90.31174	1.7
91.05485	81.6
93.07050	74.6
95.04973	31.9
95.08611	30.4
97.06535	6.2
97.10164	4.1
105.04528	3.6
105.07036	54.2
107.04969	10.2
107.08601	20.5
109.06519	8.9
109.10168	5.2
111.08104	4.0
117.07040	12.5
118.13171	1.6
119.08591	31.4
121.06490	4.3
121.10146	6.1
123.08072	6.1
127.07552	2.8
128.06232	5.1
129.07004	19.3
131.08522	3.3
133.10124	15.0
135.11726	2.3
137.09686	1.9
143.08580	9.6
145.10109	11.9
147.08067	4.2
147.11707	39.2
156.09370	2.5
159.11713	1.6
161.09656	5.9
161.13271	14.8
163.11253	3.6
171.11710	36.0
179.14320	2.8
189.12770	14.3
207.13820	37.9
217.54707	1.7
225.14867	7.3
322.80505	1.9
364.25531	1.9
395.94794	2.0
487.30536	46.3
487.36398	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	487.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01572	1.0
51.02364	1.8
53.03744	1.0
53.03947	12.2
55.01859	2.6
55.05515	23.4
57.03421	3.5
58.06594	1.1
65.03943	6.2
65.54463	0.9
67.05508	68.8
68.16502	1.0
69.03421	2.8
69.07074	16.4
70.30029	4.1
71.04985	3.5
73.06525	3.5
77.03915	1.7
79.05497	100.0
81.03422	12.9
81.07061	61.1
83.04977	15.5
83.08614	7.8
85.06535	3.3
91.05485	82.8
93.07049	71.8
95.04368	1.5
95.04974	31.9
95.08612	34.1
97.06541	7.5
97.10191	5.6
103.05462	2.2
105.04511	4.2
105.07035	60.2
107.04971	9.9
107.08602	25.0
109.06503	10.1
109.10145	5.8
111.08051	3.1
115.05450	1.7
117.07024	13.7
119.08587	31.6
121.06540	5.7
121.10161	7.9
123.08085	9.0
127.07549	1.7
128.06204	3.9
129.07005	23.3
131.08557	6.1
133.06502	1.8
133.10135	15.5
135.08055	2.1
135.11702	4.3
139.07478	1.4
141.07002	1.4
141.58047	1.0
143.08568	11.1
145.10123	12.8
146.23352	1.1
147.08052	4.1
147.11693	47.7
151.11098	1.0
156.09354	1.9
159.11731	2.9
161.09621	7.3
161.13271	21.0
163.11192	2.0
171.11699	41.6
179.14319	5.7
189.12762	16.9
207.13820	43.9
225.14792	9.2
233.30428	1.0
236.14865	1.3
237.15236	2.1
263.16452	1.5
274.63010	1.0
279.15851	1.3
281.17456	4.3
309.16904	1.0
319.84601	0.9
323.43213	0.9
326.31949	1.0
381.98636	1.0
431.34073	1.1
469.37320	1.8
487.30484	51.4
487.37341	1.9
488.30557	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.3
53.03955	13.6
55.01871	4.5
55.05516	21.1
57.03436	4.2
65.03935	3.1
67.05511	63.1
67.05874	3.5
69.03426	2.3
69.07070	16.5
69.40977	12.0
70.96089	1.5
71.04990	3.5
73.06553	1.9
77.03922	2.1
79.05499	100.0
81.03420	11.9
81.07065	58.7
82.58159	1.3
83.04991	16.0
83.08627	6.2
83.79235	1.2
85.06529	3.1
91.04899	1.7
91.05486	72.1
93.07051	75.1
95.04981	33.4
95.08611	34.1
97.06525	7.5
97.10215	3.3
103.05467	2.6
105.04508	2.8
105.07038	57.4
107.04975	6.7
107.08604	26.4
109.06535	8.2
109.10172	6.1
111.08096	2.5
114.53828	1.4
117.07038	11.3
119.08586	31.2
121.06529	3.1
121.10144	5.9
123.08076	10.1
127.07588	2.3
128.06233	4.0
129.07019	22.1
131.08578	4.4
133.10161	13.6
135.11700	3.0
137.09622	1.7
143.08586	12.1
145.10133	13.7
147.08063	4.0
147.11697	43.1
161.09665	3.8
161.13280	21.3
163.11179	2.6
171.11716	41.1
179.14328	3.9
189.12761	16.6
207.13850	49.2
225.14859	6.3
281.17569	4.3
313.51132	1.6
438.10864	1.5
469.29703	2.3
487.30560	54.3
488.31323	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78180	5.5
55.05509	19.1
57.03439	15.0
57.07053	8.3
58.55130	7.0
62.17420	5.7
67.05511	87.2
69.03432	7.2
69.07056	23.6
71.05003	9.2
79.05502	97.9
81.03414	9.7
81.07069	96.4
83.04980	8.7
83.08596	13.2
84.43774	5.9
85.06602	8.8
91.05493	68.2
91.94476	6.2
93.07055	100.0
95.04969	19.2
95.08603	55.9
97.02940	9.6
97.06541	9.2
97.10167	6.5
99.08099	10.2
105.07026	45.1
107.08595	46.5
109.06548	8.2
109.10186	32.0
111.08097	9.1
117.07027	19.6
119.08569	35.0
121.06522	6.2
121.10152	56.2
123.08086	7.5
123.11696	20.5
129.07014	14.4
131.08592	42.6
133.10182	34.7
135.11707	57.9
137.09633	7.0
143.08542	7.6
145.10161	35.8
147.07901	6.8
147.11673	28.3
149.09612	10.3
149.13264	28.3
157.10188	9.0
159.11685	26.8
161.13240	12.9
163.11227	6.9
171.11690	14.5
173.13264	24.5
175.15001	6.7
176.17834	7.7
187.14766	7.8
194.43333	6.5
215.17970	74.1
233.19052	60.7
255.59212	6.5
325.23590	16.8
469.28119	8.1
487.30661	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	487.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.7
67.05494	1.6
71.02048	1.3
75.10808	0.7
79.05498	1.9
81.07045	1.0
91.05474	1.8
93.07059	1.7
95.08567	1.4
105.07055	0.6
107.08633	1.0
112.49934	0.6
121.10183	0.6
129.06969	0.5
131.08539	0.9
145.10185	0.5
147.04497	0.5
171.11768	0.9
258.34656	0.6
275.69479	0.6
318.29047	0.7
323.18301	0.7
406.64392	0.6
406.89438	0.6
468.63824	0.6
487.26697	100.0
488.26993	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2669
Annotation	1,3-DIDEACETYLDEOXYKHIVORIN
Peak:m/z	Relative Intensity
53.03956	0.6
55.05497	0.6
60.19439	0.6
65.46390	0.6
67.05490	2.5
69.07075	1.2
71.56457	0.9
79.05502	2.4
81.07056	2.3
83.08618	1.1
91.05481	1.8
92.28943	0.7
93.07032	1.9
95.08614	1.5
105.07046	0.8
107.08633	0.8
114.92648	0.7
117.06998	0.7
121.10139	0.7
123.68354	0.6
131.08514	0.9
133.10173	0.7
151.84230	0.8
171.11623	0.7
179.16263	0.6
223.80466	0.7
243.04253	0.6
487.26682	100.0
488.27029	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	487.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	11.4
55.05515	21.2
55.49514	4.2
57.03429	10.2
57.07073	7.4
61.02924	5.5
62.82364	3.4
67.05508	87.9
68.96740	4.5
69.03421	8.0
69.07055	15.1
69.22908	5.2
70.30149	7.5
70.30548	9.5
71.05018	8.6
73.02909	9.0
74.09713	17.3
79.05492	74.3
81.03416	11.2
81.07066	100.0
83.04955	4.4
83.08607	11.3
85.02891	8.2
85.06538	11.1
86.03989	5.1
91.05487	50.2
92.59040	3.8
93.07058	91.1
95.04984	11.8
95.08618	68.8
97.02890	6.3
97.06532	6.6
97.10169	4.2
99.08106	12.5
101.21995	4.3
105.07040	44.5
107.08607	48.1
109.06525	4.8
109.10188	24.8
110.65827	3.7
111.08087	5.4
113.09673	3.7
117.07017	20.1
119.08586	30.9
121.10158	54.0
123.11684	18.6
125.09629	6.5
129.07007	10.1
131.08580	37.2
133.10138	31.2
135.11722	57.1
136.65007	4.7
137.09634	9.0
137.13176	5.0
143.08566	7.6
145.10133	29.6
147.11713	26.5
149.09555	4.6
149.13237	26.1
151.11249	6.1
157.10130	6.7
159.11691	25.5
161.13268	7.8
163.11121	6.4
171.11668	7.4
173.09703	4.6
173.13316	21.3
177.12718	6.3
187.14856	8.3
198.39105	4.6
205.19511	8.2
215.17998	59.1
233.18982	56.4
307.22672	27.1
325.23630	12.5
391.24771	10.3
399.50998	4.9
469.27911	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	487.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41550	4.8
53.03947	10.2
55.01886	4.1
55.05518	26.6
57.07081	15.3
67.05492	20.2
69.03429	33.2
69.07073	67.8
71.04981	15.3
71.16113	9.2
79.05491	13.4
81.03413	28.1
81.07066	50.7
83.08624	34.7
85.02899	59.3
85.06552	5.5
87.00845	24.5
91.05478	12.3
93.07037	46.5
95.04975	9.1
95.08612	41.5
97.02904	27.9
97.06544	11.7
97.10171	9.9
99.04427	6.2
105.01843	14.4
105.07033	17.5
107.08591	51.1
109.02850	23.4
109.06516	7.7
109.10167	33.9
111.08102	9.8
111.11755	7.8
115.03981	7.5
119.08591	29.8
121.10128	21.1
121.37070	5.3
123.08044	18.5
123.11735	24.3
125.13285	35.5
127.03925	40.8
127.11201	5.8
129.01855	4.9
131.08591	7.8
133.10114	12.6
135.11699	53.4
135.66928	4.8
137.09650	13.7
137.13211	10.4
143.08583	6.2
145.04941	10.6
147.11673	15.0
148.51752	4.8
149.13269	26.7
151.44270	4.3
153.12733	28.2
159.02873	17.1
159.11708	9.8
161.13260	10.5
165.09102	22.5
167.10657	4.4
191.86479	4.2
203.10675	5.0
203.17990	33.2
221.19026	100.0
231.04935	8.9
239.20003	11.4
382.55923	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	28.9
67.05502	30.4
69.03433	28.1
69.07061	60.2
71.04984	32.7
71.16021	31.1
75.21695	13.9
79.05495	17.2
81.03406	32.1
81.07058	100.0
83.08605	17.9
85.02902	59.5
87.00832	28.5
91.05502	26.7
93.07041	88.1
95.05022	15.8
95.08634	89.7
97.02911	29.3
99.08117	16.2
105.07008	38.2
107.08586	77.5
109.10175	69.1
111.11797	15.2
119.08591	44.4
121.10139	60.8
123.11724	56.0
125.13277	39.9
127.03940	46.8
127.11245	23.8
133.10136	46.3
135.11690	90.9
145.10164	35.0
147.04320	16.8
149.13242	37.4
153.12764	28.2
159.11671	20.7
165.09079	80.8
193.90529	15.2
203.17949	36.5
221.19016	61.2
355.42291	14.5
481.51605	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	487.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	24.0
57.07063	7.3
67.05511	20.6
69.03426	31.4
69.07076	43.7
69.51498	12.6
69.51904	36.3
71.04995	14.9
73.02909	7.1
76.00072	7.3
79.05535	7.6
81.03417	27.3
81.07079	35.6
83.08620	29.6
85.02918	51.4
87.00839	24.3
91.05497	13.8
91.74741	7.7
93.07051	23.6
95.08572	36.6
97.02909	8.0
97.06523	19.3
99.04446	8.9
99.08128	6.6
105.01850	11.4
105.07063	9.2
107.08597	33.8
109.02888	17.1
109.10162	26.8
111.11761	7.4
119.08582	12.0
121.10129	16.1
123.08086	19.6
123.11719	18.2
125.13261	24.9
127.03929	34.9
133.10132	13.5
135.11679	46.5
141.12782	9.2
145.04947	11.4
147.11719	9.8
149.13258	26.7
153.12753	30.6
157.10136	9.7
159.02887	12.4
163.14813	9.8
181.84215	7.2
199.75447	6.8
203.18063	10.5
221.19057	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	3.4
55.01841	2.0
55.05510	5.3
57.03442	11.6
67.05511	3.7
69.03429	5.8
69.07066	3.5
70.06617	2.1
71.04999	67.2
75.04471	3.5
79.05492	4.1
81.03442	3.1
81.07068	10.4
83.05006	3.0
85.02913	81.7
85.06509	2.5
87.04491	3.0
91.05486	9.6
93.07060	5.8
94.04202	4.1
95.04984	5.0
95.08601	8.2
99.04491	3.1
103.05482	3.9
105.07035	8.5
107.04965	2.8
107.08582	3.5
109.06541	6.3
109.10175	8.5
111.04469	2.8
115.05502	4.1
117.06995	4.1
118.50158	2.3
119.08597	7.4
121.10179	2.9
122.03685	8.0
122.07198	2.2
123.08076	2.3
123.11763	3.7
127.03974	2.3
129.05522	14.9
129.07002	3.5
131.04936	5.1
133.06491	4.8
133.10133	5.3
135.11736	3.0
137.05989	100.0
137.09605	4.5
141.07014	2.2
145.06474	3.1
145.10123	2.6
146.03612	2.4
147.04442	3.7
147.08052	3.0
149.05951	2.5
151.07526	3.5
159.08089	3.7
161.06004	12.3
161.13316	2.6
163.07590	7.9
165.09117	39.8
166.14169	2.4
175.07529	34.0
175.08994	2.6
187.07578	8.6
191.08566	4.8
199.07591	19.7
202.07794	4.6
203.08566	5.9
205.12338	4.1
219.08099	8.3
231.08046	8.3
235.11136	2.2
239.16479	2.7
247.07570	3.1
248.08350	2.3
251.10724	8.9
259.07599	5.4
263.10757	3.8
276.07785	3.1
277.08624	4.8
279.10159	7.5
291.10101	13.0
292.10974	4.9
295.13440	2.7
308.10477	2.1
311.12827	12.0
323.12756	26.3
335.12918	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	487.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.05513	1.6
65.05478	0.9
67.05502	2.7
69.07076	2.7
70.81969	2.4
78.45547	1.0
79.05489	2.2
81.03451	1.1
81.07060	4.6
85.02917	1.5
91.05505	1.0
93.07060	2.6
95.08621	3.6
96.30678	1.2
97.06521	2.3
97.10201	1.2
105.07045	1.6
107.04935	1.1
107.08604	3.9
109.10155	3.6
109.21702	1.1
119.08598	2.9
121.06521	1.5
121.10145	2.8
123.11761	1.3
131.08574	1.1
133.10097	2.5
143.10683	1.1
145.10204	1.3
147.11707	1.1
159.11664	1.4
161.13304	1.3
165.09158	2.7
181.15837	1.2
203.18056	1.3
239.16245	2.3
313.16245	2.0
355.17215	3.6
399.16309	3.4
401.21487	3.9
443.22476	17.0
487.21542	100.0
488.22009	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	485.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.3
55.05510	51.9
57.07076	43.1
59.99048	3.7
60.63773	3.8
67.05505	22.8
69.07076	100.0
70.06597	8.9
71.08647	24.4
72.08178	5.8
79.05496	12.4
81.07073	35.3
83.04964	3.7
83.08620	57.0
85.10189	11.8
87.04486	8.9
88.07637	12.8
90.68738	3.7
93.07051	30.3
95.08597	30.6
97.06548	21.0
97.10184	46.5
99.08072	6.4
101.06020	4.6
102.09195	4.4
105.34724	3.8
107.08624	27.8
109.10177	24.3
111.11737	18.2
115.07549	5.8
116.81850	4.3
121.10135	23.1
125.09623	10.3
125.13296	6.9
125.82426	3.9
135.11688	20.2
139.11203	10.7
149.13284	12.2
153.12782	7.9
157.12239	7.1
191.17967	50.6
200.20129	5.9
201.20447	4.8
209.19026	55.3
227.20140	27.1
228.23218	13.3
229.23470	4.6
283.26212	7.3
284.26767	5.8
284.40863	4.4
298.45523	4.0
314.46167	4.1
341.78647	3.8
456.27164	4.3
485.47650	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	486.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99777	0.8
53.03940	1.7
55.01880	0.8
55.05519	2.2
58.14995	0.9
67.05498	4.3
69.03431	2.7
69.07066	4.4
69.28449	4.6
69.28878	4.1
79.05499	4.7
81.03397	2.6
81.07063	42.8
83.08627	1.3
85.02911	5.9
87.00826	3.1
91.05499	4.9
93.07056	5.7
95.08607	16.9
97.02911	2.1
98.21504	2.1
99.04494	1.4
105.01858	3.5
105.07046	18.5
106.72441	0.9
107.08597	7.8
109.02898	2.3
109.10159	10.1
119.08588	15.1
121.10162	6.2
123.11716	2.9
127.03893	2.7
131.08591	1.8
133.09370	1.1
133.10168	10.5
135.11678	7.4
145.04993	1.6
145.10152	3.4
147.11694	42.5
148.12379	1.3
159.02922	1.5
159.11693	1.7
160.12463	1.5
161.13307	10.0
203.17967	100.0
204.18227	1.6
221.19073	2.8
239.80193	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73709	0.6
53.03931	0.7
55.05510	3.4
55.80193	0.6
57.07079	19.5
62.87793	0.5
64.90254	0.7
67.05506	4.2
69.07076	6.0
69.53432	3.5
71.08634	11.7
72.22568	0.6
79.00032	0.7
79.05485	1.3
81.07060	8.2
83.04964	1.1
83.08634	3.9
85.10188	5.4
87.04471	1.8
91.05462	1.9
93.07030	2.1
95.08602	6.2
97.10184	3.4
98.17445	0.8
98.20752	1.0
105.07035	2.0
107.08587	4.5
109.06479	0.7
109.10156	7.1
111.11709	2.0
117.07017	0.9
119.08595	3.8
119.09343	0.7
121.06503	1.9
121.10159	3.4
122.07301	0.9
123.08052	1.2
123.11684	0.8
131.08559	2.6
133.10138	1.6
135.08107	5.0
135.11684	2.4
136.08876	1.3
137.06007	0.9
137.09634	9.8
139.07568	2.7
145.10144	0.9
147.11711	1.3
149.09615	13.1
151.07600	1.3
159.11728	3.3
160.08929	0.7
161.09592	0.7
162.06676	1.0
163.07576	0.9
163.11188	16.6
164.08382	2.3
165.09122	100.0
173.09686	1.5
173.13274	2.2
175.11203	4.6
176.08365	1.9
177.09134	12.2
177.12798	3.2
179.10677	1.2
186.10445	1.2
187.11224	2.7
189.09132	1.1
189.12758	1.5
190.09851	0.9
191.10672	11.5
200.12146	0.7
201.12804	2.3
203.10681	1.9
203.14369	1.1
204.11479	1.1
205.12248	10.6
215.14391	1.3
219.13777	4.8
233.15381	1.6
247.16933	1.2
261.18417	0.7
275.20087	1.1
289.21655	1.3
303.23227	2.0
317.24747	1.5
321.96991	0.8
331.26324	0.8
373.31277	1.1
401.34235	1.2
411.36093	1.7
429.37296	54.9
430.37958	4.6
486.39496	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76004	3.1
50.77135	3.2
53.03940	7.9
55.01863	7.9
55.05515	100.0
57.03436	16.9
57.07079	22.9
59.04990	3.6
67.05513	50.6
69.03429	4.1
69.06718	5.2
69.07074	94.8
71.04994	7.5
71.08629	13.5
79.05495	44.0
79.28684	2.8
81.07062	86.0
83.04971	9.6
83.08627	69.7
85.06547	11.5
85.10191	8.8
87.03988	4.9
87.04479	62.5
91.05478	11.9
93.07059	51.5
95.04969	5.7
95.08609	85.3
97.06561	22.5
97.10178	48.3
98.98460	7.3
99.08109	8.5
101.06029	4.6
105.07042	9.7
107.08609	37.6
109.10159	25.4
111.08115	20.2
111.11709	12.8
115.07595	4.4
121.10154	61.1
123.11699	10.5
125.09619	12.5
126.27496	3.1
133.10138	5.0
135.11700	24.0
139.11198	8.0
147.11739	4.7
153.12784	6.2
163.12144	3.2
163.14835	43.0
175.14793	3.8
177.16400	37.8
181.15886	38.3
186.96892	4.0
195.17461	37.2
199.16986	11.9
213.18512	11.3
235.10287	3.4
255.19547	14.9
269.21094	12.3
287.22565	4.9
292.46356	3.8
304.60150	3.5
313.27255	21.2
360.48737	4.0
375.32562	21.8
391.56296	3.2
393.33759	36.5
421.74826	3.9
461.44730	3.5
467.37463	18.1
485.31583	4.5
485.38571	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	485.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.0
57.03448	9.8
57.07077	23.4
66.49734	2.3
67.05495	5.8
69.07071	5.7
71.08627	14.6
81.07056	8.3
83.08620	6.8
85.10186	9.4
88.34156	2.0
89.06036	4.9
93.07059	3.5
95.08600	9.2
98.98466	7.3
107.11182	2.1
109.10141	5.7
155.01051	4.5
166.01897	2.0
170.30933	1.7
227.81091	2.1
229.46841	2.8
239.50346	2.1
313.27359	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.0
57.03448	9.8
57.07077	23.4
66.49734	2.3
67.05495	5.8
69.07071	5.7
71.08627	14.6
81.07056	8.3
83.08620	6.8
85.10186	9.4
88.34156	2.0
89.06036	4.9
93.07059	3.5
95.08600	9.2
98.98466	7.3
107.11182	2.1
109.10141	5.7
155.01051	4.5
166.01897	2.0
170.30933	1.7
227.81091	2.1
229.46841	2.8
239.50346	2.1
313.27359	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.5
55.01860	4.6
55.05498	12.7
57.03426	4.9
61.02902	3.1
62.07349	2.6
64.34919	2.9
67.05502	19.1
69.03416	13.2
69.07060	11.0
71.04981	7.5
71.57123	6.2
77.17111	2.6
79.05495	24.4
81.03411	16.1
81.07062	39.1
83.08605	5.1
83.43681	3.1
85.02906	22.2
85.06575	3.2
87.00827	9.9
87.84036	3.2
89.14791	2.6
91.05477	26.0
93.07059	21.5
95.04949	13.2
95.08609	19.7
97.02888	8.5
97.06553	4.4
97.10162	7.3
99.04454	6.4
105.01856	8.1
105.07034	77.1
107.08585	20.0
109.02863	9.6
109.06497	5.1
109.10165	14.6
111.08086	3.4
117.07006	10.8
119.08582	42.8
121.06507	7.2
121.10144	12.0
123.11707	5.8
125.09617	13.2
127.03927	20.4
128.06207	2.8
129.06981	5.0
131.08612	14.8
133.06514	3.2
133.10130	17.7
135.08124	3.1
135.11728	7.9
137.09612	8.8
143.08539	5.7
143.10678	10.7
143.94278	3.3
145.04956	5.4
145.10104	16.8
147.04381	5.5
147.11691	100.0
151.07483	3.4
155.08617	2.9
157.06445	3.5
157.10158	8.2
159.02820	4.0
159.11693	17.1
161.13257	6.1
163.04002	4.5
167.10699	7.1
171.11740	8.2
173.09561	2.9
173.13251	7.6
175.11176	3.7
185.13248	5.1
191.14404	3.5
201.16383	10.8
203.17841	3.7
213.16444	4.2
219.17413	14.1
231.17430	4.9
238.64252	3.6
304.59741	3.6
323.22247	4.0
447.19888	3.2
485.28888	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	485.2365
Annotation	LG-629
Peak:m/z	Relative Intensity
50.38358	0.5
53.03956	0.7
55.05509	1.3
65.55223	0.5
67.05502	0.9
67.22665	0.6
69.03422	0.9
71.04987	0.8
71.75206	0.8
74.66821	0.5
74.72693	0.5
81.03421	1.0
81.07066	1.6
83.05003	1.7
84.49422	0.5
85.02914	2.3
91.05474	1.3
93.07029	1.7
95.08615	1.9
97.02905	0.7
101.00940	0.7
105.07031	1.7
107.08611	0.8
109.02887	0.8
109.06525	0.6
109.10168	1.0
115.05384	0.6
119.01956	1.3
119.08627	0.7
121.10136	2.7
123.11684	0.8
127.00047	0.7
127.03938	1.9
128.40305	0.6
131.08611	0.6
133.10141	4.1
135.11739	1.0
137.06000	1.3
143.01859	0.9
147.11765	0.6
156.59418	0.7
157.03455	0.7
159.11737	1.1
161.02963	1.0
175.04625	0.7
187.00929	0.7
191.18073	0.9
193.26939	0.6
201.16400	0.7
219.17441	1.9
237.18594	2.2
252.41719	0.7
271.04321	1.4
289.05423	1.1
364.11386	0.6
387.12851	0.6
399.23145	2.6
441.24548	13.9
485.23602	100.0
486.23737	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	485.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45427	4.8
53.03940	11.8
54.06206	4.2
55.01867	12.9
55.05497	19.4
57.03424	8.4
65.03941	12.4
67.05495	22.2
68.99780	9.5
69.03432	46.8
69.07072	9.2
70.93916	4.2
71.05000	33.3
71.56345	8.6
78.72942	4.6
79.05492	19.4
79.10664	4.9
79.21328	6.3
81.03421	53.0
81.07058	64.2
83.04965	20.8
85.02909	70.0
87.00829	26.3
91.05482	33.4
93.07035	51.6
95.04978	15.4
95.08611	29.6
97.02897	28.1
97.06509	14.3
97.10190	6.2
99.04453	16.4
99.08072	7.9
105.01846	15.4
105.07037	58.7
107.08607	37.0
109.02893	47.4
109.06526	9.1
109.10148	34.3
111.04453	100.0
111.08141	5.6
117.06987	8.4
119.04936	19.8
119.08596	42.9
121.06462	5.4
121.10143	38.9
123.04425	7.0
123.08059	10.6
123.11711	29.7
125.09643	17.9
127.03925	55.9
127.07574	10.3
127.11179	15.4
128.42429	4.3
129.01811	5.0
131.08557	19.6
133.10123	63.6
135.11699	18.5
136.07571	6.3
137.09631	9.9
138.09145	12.9
143.08577	4.9
143.10651	6.7
143.66550	4.5
145.04942	8.5
145.10121	26.6
147.02896	5.5
147.03110	6.5
147.04417	84.2
147.11699	63.2
149.13266	8.4
151.11232	13.3
153.12769	9.5
155.10681	6.5
157.10162	9.2
159.02899	13.1
159.08070	7.0
159.11702	21.7
161.13266	10.0
164.07060	10.0
171.11761	6.5
173.04460	6.7
173.13286	8.3
177.12743	4.9
180.81415	4.5
193.15901	7.0
201.16338	25.8
219.17424	69.0
231.05064	5.8
237.18471	24.3
257.83884	5.2
406.17200	24.3
418.17615	10.3
449.21536	6.0
452.18124	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	485.0797
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09063	1.3
55.48702	1.3
56.96556	3.6
60.42109	1.2
63.36296	1.1
69.03406	1.5
71.55640	1.6
79.05495	2.0
81.03399	1.4
85.02896	2.2
89.03926	8.2
91.05461	3.7
98.97601	4.2
101.00897	14.2
107.04978	1.8
113.00830	1.3
116.98652	1.5
117.03388	9.0
119.01929	35.9
119.04961	5.9
121.01675	2.7
127.03956	1.6
128.98582	2.0
131.01915	10.6
133.03479	3.0
134.99828	1.8
135.04428	21.2
137.03011	3.2
143.00204	1.6
143.01923	17.6
145.02849	9.9
145.03691	3.3
146.99664	1.8
147.04401	19.3
148.04723	1.8
149.04836	1.4
151.00706	1.3
155.01921	11.9
157.03497	5.2
158.99579	1.3
159.01422	3.9
161.02971	19.0
163.03915	100.0
164.04247	3.8
167.01883	7.5
169.03482	3.1
170.99556	1.4
171.05003	2.3
173.02995	17.5
175.04597	2.0
177.00856	2.3
177.02422	12.1
179.01956	1.8
181.01770	1.3
184.04625	1.5
185.02972	29.5
186.99365	1.8
187.04492	2.7
189.02560	1.4
191.04033	2.6
193.03439	1.3
195.01540	1.8
197.02975	11.1
203.02292	2.2
203.04044	9.6
203.54073	1.4
204.04036	1.6
205.00378	2.4
207.03511	2.1
213.02521	1.4
215.00375	1.8
215.02269	1.4
215.04004	6.1
219.03532	4.0
221.03014	45.6
221.05055	5.2
227.04080	8.4
229.00377	2.4
231.03493	1.8
232.03546	2.3
235.04593	2.2
239.02058	2.9
239.04309	7.8
245.05101	82.9
246.05252	1.7
247.04939	3.7
249.04568	2.5
257.05099	5.7
261.02448	2.3
261.05798	3.0
263.03775	2.7
263.06192	8.0
271.00946	2.6
275.03815	1.7
275.06256	10.9
279.03394	3.1
279.05948	2.7
281.05066	2.7
283.05093	1.3
289.01862	3.1
292.05524	1.8
293.07562	2.6
297.02933	2.1
303.03473	4.1
305.07300	8.3
315.03882	1.5
321.04626	4.6
323.06326	1.7
331.03085	12.4
335.08267	3.5
339.05695	8.8
349.04037	5.1
357.06461	3.3
365.09348	11.8
397.05737	1.3
407.04730	7.0
409.06250	2.4
425.05777	6.4
441.10748	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	483.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.2
55.01865	6.0
55.05510	19.7
57.03442	5.7
57.07077	5.5
61.78919	2.1
67.05509	34.2
68.35349	2.4
69.03426	10.9
69.07066	18.1
70.76891	5.4
70.77253	3.5
71.04999	7.4
75.61353	2.3
79.05505	18.8
81.03423	8.1
81.06581	3.1
81.07063	54.7
83.04980	10.7
83.08631	10.1
84.08154	2.6
84.96091	2.0
85.02901	6.6
85.06543	7.1
91.05478	18.3
93.07054	40.5
95.04965	7.5
95.08611	96.3
97.02884	5.0
97.06543	8.9
97.10184	5.9
99.04494	4.6
99.08128	2.6
100.11292	6.1
100.68688	2.3
101.06030	8.3
103.05432	2.3
105.01846	2.8
105.07040	29.0
107.04997	2.9
107.08605	44.5
109.02930	2.4
109.06528	9.8
109.10163	47.6
111.04473	2.2
111.08102	9.9
113.06013	4.6
113.09666	10.0
115.05502	2.1
117.07061	6.0
119.08590	36.2
121.06517	9.7
121.10139	32.5
122.09699	2.9
123.04417	2.7
123.08064	29.8
123.11736	13.8
125.06009	12.4
125.09679	7.1
127.03945	5.0
129.07040	3.0
131.08592	10.7
133.10158	26.1
135.08061	18.3
135.11679	20.4
137.06007	7.1
137.09616	14.3
137.13281	5.8
139.03914	3.1
139.07579	5.3
139.11209	4.2
141.09120	8.5
143.08585	8.6
145.10106	16.0
147.08115	3.6
147.11694	19.1
149.09636	9.4
149.13312	9.5
151.07599	7.5
151.11221	6.4
153.09126	3.1
155.10616	2.7
157.10115	12.1
159.11700	16.2
161.09642	8.4
161.13228	14.3
163.11214	13.2
163.14891	6.4
165.09138	8.9
165.12816	10.0
167.10742	2.5
169.10156	3.2
171.11745	9.7
173.09676	4.1
173.13284	19.2
175.07657	4.8
175.11237	9.9
175.14871	8.0
177.12813	8.6
179.07072	4.5
179.10748	3.7
179.14397	5.1
181.12256	3.9
183.10138	2.3
185.13309	5.2
187.09651	2.4
187.11223	4.9
187.14932	6.0
189.12778	14.4
189.16463	6.5
191.14389	6.3
197.13264	4.5
198.13261	2.3
199.14912	6.8
201.12889	2.4
201.16257	2.7
203.14354	3.1
205.15877	3.2
207.13823	3.2
210.14961	2.0
213.16483	4.9
215.28368	2.2
217.12309	5.8
217.15877	4.4
222.42935	2.4
225.18593	3.1
227.17915	4.0
229.15863	2.4
229.19595	4.9
231.17506	4.2
235.13402	4.1
235.16957	9.0
239.18103	2.4
247.16946	5.3
247.20642	6.0
257.18982	12.8
261.14832	2.6
261.18466	2.2
262.80634	2.3
275.20129	13.2
279.15860	2.7
293.21133	2.9
363.60672	2.2
365.28583	8.0
383.29407	10.6
391.42560	2.2
393.27838	3.4
397.21454	8.0
401.30652	17.0
411.29214	11.5
419.31717	3.9
429.30170	16.4
439.23065	20.9
447.31250	29.7
465.32053	7.2
475.40573	2.7
483.22089	100.0
483.32883	5.2
483.39255	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	25.8
57.03427	8.8
57.07064	13.4
66.74474	3.0
67.05504	3.8
69.07074	28.9
70.17175	14.8
71.08623	8.3
79.05500	6.1
81.07025	5.3
83.08618	24.5
85.10188	4.6
93.07040	3.1
95.08610	5.3
97.06540	4.2
97.10181	17.1
98.21409	4.5
98.98492	16.8
99.02792	2.9
109.10106	3.2
111.11725	4.8
126.89066	2.9
155.01051	6.6
249.56281	3.1
269.86606	3.3
302.04498	3.1
311.25839	100.0
312.26050	3.8
447.25104	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	10.3
55.05507	39.0
57.03431	29.6
61.02937	78.8
67.05519	79.6
69.03436	46.1
69.07077	29.5
71.57150	9.4
71.57500	9.1
73.02919	36.5
79.05493	75.2
81.03437	30.3
81.07053	100.0
83.04993	14.7
83.08607	15.6
85.02919	74.1
91.03984	57.2
91.05482	52.8
93.07045	72.1
95.04965	17.0
95.08613	85.2
96.69276	9.3
97.02886	54.6
99.04435	16.5
101.02380	10.3
105.07027	38.9
107.08600	59.6
109.02921	11.0
109.10166	38.3
117.07028	12.1
119.08607	32.2
121.10151	36.1
127.03929	34.2
131.08588	19.6
133.10126	19.7
133.15366	9.2
135.11713	29.0
145.05029	10.8
145.10106	21.4
147.11681	14.9
159.11726	17.7
171.11693	9.6
173.13153	11.3
174.85556	8.8
183.06584	10.2
206.22830	9.2
229.19611	9.0
321.24258	91.9
333.40631	10.2
350.18619	9.6
483.29459	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	483.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78545	2.3
53.03943	4.7
55.01867	2.8
55.05507	15.0
57.07068	4.3
59.05012	4.2
61.02913	8.1
65.03943	2.6
67.05505	34.8
68.99783	10.0
69.03429	19.4
69.07067	27.1
69.43034	19.5
71.04996	38.5
79.05498	24.9
81.03417	18.4
81.07060	56.7
83.04968	9.4
83.08614	9.9
84.73061	2.3
85.02894	12.5
87.00817	8.1
89.06034	2.9
91.05469	25.7
93.07039	63.4
95.04967	30.5
95.08607	34.2
97.02892	7.0
97.06504	8.9
97.10171	3.8
99.04438	3.9
105.01846	2.9
105.06374	4.5
105.07034	47.9
105.12679	2.2
107.08599	100.0
109.02885	14.0
109.06541	11.9
109.10163	52.5
111.08082	36.9
114.87806	2.2
117.06975	3.0
119.04922	3.2
119.08578	48.9
121.06484	3.9
121.10144	28.9
123.04416	2.7
123.08081	8.0
123.11686	8.2
125.05991	9.2
125.09631	43.1
127.03922	20.5
127.11195	4.6
129.01848	8.5
131.08565	19.2
133.10139	25.9
135.08020	3.3
135.11700	62.1
137.06006	7.3
137.09636	8.9
142.07869	3.3
143.08530	7.3
145.10123	34.0
147.02899	7.0
147.04417	10.3
147.08040	9.9
147.10493	4.1
147.11696	82.0
149.09604	9.8
149.13315	6.6
153.12752	51.8
157.10152	9.6
159.11694	11.1
161.09660	5.2
161.13365	4.5
163.11198	4.8
165.09169	2.6
165.12764	6.0
171.11705	3.2
173.13248	5.6
175.07704	2.5
175.11232	11.5
175.14853	9.3
179.07030	2.4
187.14801	2.8
189.12854	3.0
189.16359	28.1
191.17886	4.2
193.15874	3.5
199.14828	4.3
202.96675	2.5
207.17442	4.0
213.03906	3.1
217.15880	31.1
235.16931	23.0
253.17996	11.0
273.59143	2.4
287.20596	2.5
325.18036	3.7
443.04004	2.3
483.22205	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	483.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96057	7.3
53.03936	11.2
55.01871	15.7
55.05516	42.6
64.23852	8.7
67.05515	57.9
69.03435	39.4
69.07081	42.7
71.57354	9.6
72.52739	8.2
79.05486	33.1
81.03418	28.8
81.07071	100.0
83.04984	23.8
83.08621	21.2
85.02914	28.4
87.00826	8.9
91.05503	47.5
93.07051	83.5
95.04973	27.4
95.08609	84.9
97.02911	19.0
97.06560	18.0
97.10168	24.5
105.07051	63.0
107.04950	12.0
107.08591	78.3
109.02913	19.4
109.06502	29.1
109.10157	51.3
111.08106	7.8
117.07066	18.5
119.08587	76.0
121.06511	17.5
121.10156	52.3
123.04471	22.6
123.08048	21.4
123.11706	19.6
125.05970	14.2
125.09589	16.0
127.03918	40.0
129.07036	14.6
131.08556	22.5
133.10126	47.7
135.08060	21.1
135.11699	30.5
137.05975	17.9
137.09554	9.2
141.05505	9.5
143.08566	17.0
145.06554	8.2
145.10127	34.0
145.11172	7.4
147.07986	9.9
147.11710	47.1
149.09677	12.5
149.13252	13.4
151.07556	11.7
155.08588	12.0
157.10127	20.1
159.11719	24.4
159.22791	9.1
161.09692	19.0
161.13254	25.2
163.11157	9.4
165.09193	11.3
171.11711	7.6
173.13316	16.8
175.07524	22.4
175.11165	10.9
175.14803	17.3
179.10759	13.2
183.11601	10.4
189.16373	30.5
217.15974	60.7
235.16879	34.0
344.14047	7.5
362.25146	9.8
385.27560	14.6
429.30426	10.1
447.27481	35.1
465.28262	16.6
483.21417	12.5
483.27966	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.6
53.08747	1.8
55.01889	1.9
55.05516	11.4
57.03437	4.0
57.07076	6.3
59.04993	4.4
61.02921	6.6
61.55496	1.6
65.03931	4.2
67.04322	1.8
67.05509	36.4
68.99786	8.4
69.03427	14.6
69.07077	27.0
70.46992	7.2
71.04994	37.5
73.06559	3.0
79.05495	24.0
81.03425	19.2
81.07062	56.9
83.04990	5.1
83.08633	7.4
85.02905	11.2
87.00843	7.9
87.08115	3.0
88.03226	1.7
89.06046	4.9
91.05485	21.2
93.07049	53.9
95.04977	33.0
95.08608	28.4
95.09158	2.4
97.02895	5.4
97.06516	4.2
97.10188	4.3
99.04449	8.2
105.07037	37.7
107.08602	100.0
109.02886	11.2
109.06510	8.8
109.10161	55.5
111.08095	35.2
115.05489	2.9
117.07064	3.9
119.08589	40.4
121.06503	6.6
121.10148	24.4
123.08057	5.2
123.11718	11.5
125.09640	37.0
127.03920	18.5
127.11174	4.4
129.01846	9.2
129.07018	2.3
131.08586	16.0
133.10130	19.1
135.08037	3.2
135.11696	57.4
137.06018	5.1
137.09624	3.2
137.13329	1.8
142.07762	2.0
143.08591	4.2
144.58244	1.8
145.10121	30.5
147.02908	2.3
147.08067	8.6
147.11699	68.3
149.09641	3.5
149.13237	5.1
151.11221	2.2
153.12750	46.2
157.10129	7.2
159.11707	11.9
161.09668	5.7
161.13278	5.9
163.11237	5.1
163.38046	1.8
165.02873	1.8
165.12767	7.7
173.13257	4.7
175.11209	6.9
175.14876	8.7
189.16396	33.6
191.17984	3.0
193.15938	7.8
199.14833	7.4
207.17445	3.8
213.04016	3.2
215.14424	3.3
217.15910	31.0
229.95087	1.7
235.16925	23.4
253.17984	13.9
383.29218	2.3
465.21127	3.1
483.22375	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	6.5
63.98020	1.1
67.05505	4.0
69.03434	4.6
69.07073	1.9
69.46049	5.4
69.46453	3.1
74.82674	1.1
79.05506	2.9
81.03413	2.3
81.07067	9.9
83.04985	1.2
83.08620	1.5
85.02897	3.0
91.05463	1.6
91.33862	1.2
93.07018	7.3
95.05001	2.3
95.08620	9.6
97.02921	1.2
97.10183	9.1
105.07030	7.6
107.08593	6.0
109.06517	1.4
109.10168	4.5
119.08593	4.7
121.10160	4.8
123.04427	2.5
123.08107	1.9
123.11718	1.6
125.06045	1.8
125.09678	1.3
127.03913	2.7
131.08597	1.6
133.10144	3.1
135.08136	1.8
135.11728	2.2
137.06000	3.1
143.01949	1.5
143.08592	1.1
143.10670	2.0
145.10083	1.7
147.11726	1.6
151.07605	1.7
153.05505	1.2
157.10150	1.3
159.11728	2.5
161.09581	1.3
173.13293	2.4
189.11281	1.8
217.15834	3.1
221.05083	2.7
235.16899	2.7
245.06317	2.3
251.14960	1.7
261.19077	1.3
289.05341	4.9
293.51535	1.3
295.17606	2.0
303.23373	1.5
315.33441	1.4
397.21353	6.2
439.22882	19.5
465.21570	1.4
465.28961	1.6
483.22046	100.0
484.22293	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	483.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81046	0.4
55.05499	1.0
67.05503	1.0
68.71741	0.4
69.03439	0.7
69.07049	0.9
69.44803	0.8
69.45204	3.1
79.05497	0.9
81.07070	2.2
83.08581	0.6
85.02938	0.6
91.05487	0.9
93.07047	1.1
95.08599	1.8
96.08986	0.5
97.10139	0.5
105.07040	1.2
107.08611	1.3
109.06529	0.7
109.10172	1.4
111.08091	0.5
119.08556	1.0
121.10130	0.9
123.04499	0.5
123.08040	0.6
125.05968	0.5
133.10179	0.5
135.11716	0.8
137.05978	1.2
141.05478	0.6
145.10132	0.7
145.55540	0.4
147.11745	0.7
161.09657	0.5
203.05269	0.7
217.15999	0.8
235.16930	0.9
259.07971	1.0
265.12866	0.7
283.14188	0.4
307.14026	0.6
312.53021	0.4
321.16696	1.8
465.28595	1.2
477.74515	0.5
483.22040	100.0
484.22345	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	483.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96057	7.3
53.03936	11.2
55.01871	15.7
55.05516	42.6
64.23852	8.7
67.05515	57.9
69.03435	39.4
69.07081	42.7
71.57354	9.6
72.52739	8.2
79.05486	33.1
81.03418	28.8
81.07071	100.0
83.04984	23.8
83.08621	21.2
85.02914	28.4
87.00826	8.9
91.05503	47.5
93.07051	83.5
95.04973	27.4
95.08609	84.9
97.02911	19.0
97.06560	18.0
97.10168	24.5
105.07051	63.0
107.04950	12.0
107.08591	78.3
109.02913	19.4
109.06502	29.1
109.10157	51.3
111.08106	7.8
117.07066	18.5
119.08587	76.0
121.06511	17.5
121.10156	52.3
123.04471	22.6
123.08048	21.4
123.11706	19.6
125.05970	14.2
125.09589	16.0
127.03918	40.0
129.07036	14.6
131.08556	22.5
133.10126	47.7
135.08060	21.1
135.11699	30.5
137.05975	17.9
137.09554	9.2
141.05505	9.5
143.08566	17.0
145.06554	8.2
145.10127	34.0
145.11172	7.4
147.07986	9.9
147.11710	47.1
149.09677	12.5
149.13252	13.4
151.07556	11.7
155.08588	12.0
157.10127	20.1
159.11719	24.4
159.22791	9.1
161.09692	19.0
161.13254	25.2
163.11157	9.4
165.09193	11.3
171.11711	7.6
173.13316	16.8
175.07524	22.4
175.11165	10.9
175.14803	17.3
179.10759	13.2
183.11601	10.4
189.16373	30.5
217.15974	60.7
235.16879	34.0
344.14047	7.5
362.25146	9.8
385.27560	14.6
429.30426	10.1
447.27481	35.1
465.28262	16.6
483.21417	12.5
483.27966	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.6
55.05511	1.4
67.05506	1.5
69.03439	1.6
69.07077	1.4
69.57801	2.7
79.05492	1.6
80.13871	0.5
81.03426	1.0
81.07082	2.2
83.04963	0.5
83.08608	0.7
85.02910	1.7
85.06503	0.5
87.00826	0.4
90.25727	0.5
91.05449	0.4
92.29684	0.5
92.54500	0.4
93.07043	1.6
95.08609	2.0
97.02926	0.8
105.01900	0.5
105.07063	1.1
107.08614	1.9
109.02891	1.0
109.06538	0.7
109.10183	1.4
118.95719	0.5
119.08601	0.7
119.62183	0.4
121.06487	0.7
121.10154	1.5
127.03922	1.6
131.08534	0.4
133.10135	0.6
135.11656	0.6
143.84669	0.5
145.10152	0.5
147.11714	0.7
153.45593	0.5
157.10095	0.6
159.11726	0.5
160.40849	0.5
161.09682	0.7
173.13220	0.6
217.16002	0.7
227.05298	0.6
232.98914	0.4
235.16852	1.3
245.06383	0.8
247.17049	0.5
251.16017	0.5
274.79224	0.4
289.05298	0.9
312.75616	0.4
321.17059	0.5
343.48514	0.5
397.21851	1.3
431.49374	0.5
439.23083	4.7
465.20770	0.8
483.22070	100.0
484.22565	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	483.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.6
55.05492	0.9
63.02382	0.6
63.06553	0.7
68.99796	0.7
69.07075	0.6
69.22263	2.0
69.22686	4.1
74.60037	0.5
81.03418	0.8
81.07069	1.8
83.08641	0.9
85.02872	0.8
91.05489	1.6
93.03422	1.0
93.07017	1.3
95.08614	1.3
97.02879	0.6
97.80308	0.5
105.07044	1.3
107.04948	1.2
107.08624	2.7
109.02836	0.7
109.10134	1.5
111.04444	2.4
119.01894	1.3
119.08573	1.4
121.02827	0.8
121.10149	4.0
127.03872	0.6
133.10106	0.7
135.04448	2.4
135.11716	1.4
137.02351	0.8
137.98726	0.5
139.03885	2.9
147.04449	1.4
153.01845	3.8
161.02992	1.7
163.03859	1.0
165.01907	0.8
181.04971	0.8
203.03983	1.1
217.04979	1.0
221.05009	1.3
222.33336	0.7
228.04123	0.8
229.05054	1.6
235.16795	1.4
245.04271	0.6
245.06479	1.0
251.14987	2.5
257.04477	1.1
269.16089	1.2
271.04294	1.4
273.04041	1.2
274.04761	1.8
277.16510	0.7
289.05405	2.3
289.16431	0.7
295.17496	0.9
301.03427	1.2
302.04208	5.3
303.05008	18.6
303.08322	1.0
307.17773	0.8
373.35455	0.7
379.20441	0.8
397.21106	7.2
411.66626	0.8
415.21829	1.1
437.08508	0.7
439.22772	21.6
483.10049	15.4
483.22046	100.0
484.22174	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	483.12
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98492	1.5
56.96562	4.1
67.18188	1.6
69.00396	1.4
69.03423	2.3
69.61388	2.4
69.61799	6.7
73.02948	1.8
77.51055	1.5
80.66630	1.3
81.03400	2.3
82.99869	2.7
85.02905	4.0
86.47041	1.4
89.03922	7.4
91.05495	2.1
97.02905	3.3
97.56413	1.4
98.97572	4.9
101.00873	13.3
107.04986	1.8
113.00882	1.8
115.02430	3.9
116.98621	2.8
117.03390	4.8
119.01924	32.9
119.04912	7.2
127.02426	3.5
128.98628	1.7
129.03984	1.7
131.01900	18.6
133.03479	16.6
135.04408	11.3
137.02960	4.3
139.02423	2.8
143.01903	25.0
145.03616	11.1
147.01413	1.9
147.04387	22.7
149.03004	3.0
151.04515	3.0
155.01889	24.4
157.03484	13.2
161.02979	24.0
163.02556	2.2
163.03900	38.4
164.04289	2.1
167.01939	11.8
169.03526	3.0
171.05080	3.7
173.02983	39.1
175.04559	19.1
177.02512	2.0
179.01900	3.8
183.05005	2.0
185.02972	48.6
187.04512	4.7
191.04102	2.1
195.03407	2.3
197.02986	15.7
199.04584	2.6
201.00777	2.1
201.02460	23.0
201.06114	5.1
203.04059	16.8
205.03680	2.4
209.03152	2.4
211.04494	2.5
213.02515	5.7
215.04050	10.0
217.05695	3.2
218.99858	2.0
219.01936	2.4
219.03522	56.4
219.05098	2.1
221.03064	2.4
221.05121	5.8
227.04105	12.6
229.05576	2.3
231.03549	6.9
235.06656	1.8
237.00737	8.3
237.04536	2.8
239.04008	2.1
242.05234	2.0
243.03658	2.7
245.05096	100.0
246.05231	2.8
249.04575	6.4
255.01778	9.7
257.05121	6.3
261.04547	13.1
263.06189	12.0
265.05527	2.0
273.02658	8.5
275.06232	12.6
277.07904	7.5
279.05643	5.4
289.07629	2.1
293.07129	2.8
295.08929	3.3
303.05640	17.9
305.07297	10.3
313.02136	3.1
321.06738	23.3
335.08234	5.6
337.10245	2.6
355.03751	2.2
365.09277	6.3
393.08218	2.1
483.11914	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.0
62.59510	1.0
65.03944	2.2
67.05497	1.3
68.89886	0.9
69.03440	1.0
71.56027	1.2
79.05495	1.5
81.03427	1.6
81.07043	1.2
81.33611	0.9
85.02901	1.4
91.05460	4.2
92.02625	2.6
93.03397	6.1
94.21842	0.8
95.04962	1.1
98.35507	1.0
107.04965	5.6
109.02896	1.3
111.04448	13.3
119.04964	2.5
121.02859	5.3
123.04432	8.6
126.03169	1.0
130.06485	1.4
135.04414	13.2
137.02350	4.7
139.03893	16.0
145.06554	1.6
146.06052	1.6
147.04414	7.0
153.01840	22.0
159.09250	2.3
161.06065	1.5
163.03928	5.6
165.01851	3.9
169.06534	1.0
181.04948	2.8
183.02844	1.4
183.04436	1.5
187.04012	1.0
188.07082	1.7
189.05409	1.0
201.05515	3.1
203.03419	1.0
217.05009	4.8
217.15883	1.2
218.05560	1.5
219.02946	1.3
219.06406	1.1
228.04199	2.8
229.05016	7.7
231.02994	1.2
231.07709	1.0
243.06555	1.1
245.04445	5.0
246.05209	2.3
257.04422	5.2
272.77307	1.1
273.04028	3.2
274.04645	7.3
284.03122	1.4
285.03903	2.9
285.16830	1.6
287.05432	1.2
301.03464	3.9
302.00754	1.6
302.04218	28.9
303.05011	82.7
315.05066	1.6
327.05035	1.5
343.04590	1.3
351.13525	1.4
379.75891	0.9
434.87723	0.9
437.08942	5.5
448.14172	1.0
465.08096	1.6
483.09241	100.0
484.53174	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92954	0.3
52.98056	0.3
55.01866	0.7
56.20044	0.3
60.19990	0.3
60.48616	0.3
65.03649	0.3
65.03939	3.0
67.05477	0.4
68.99800	1.8
69.03421	0.3
70.00668	1.2
70.06585	0.4
79.05492	0.4
81.03384	1.3
83.42924	0.3
85.02841	0.3
91.05487	1.4
93.03407	4.9
95.01318	0.3
95.04954	0.5
104.73861	0.3
107.01327	0.3
107.04936	0.7
109.02853	1.0
111.00777	1.1
111.04442	16.9
117.07037	0.3
119.04916	0.9
121.02869	2.2
123.04449	1.9
127.03905	1.1
128.75703	0.3
131.04922	0.5
135.04376	1.2
137.02353	19.6
137.03397	1.3
137.05927	1.2
138.02641	0.4
139.03906	34.6
145.02806	0.7
145.06404	0.4
147.04387	0.9
149.02319	1.4
151.03793	0.4
153.01839	11.8
155.04903	0.4
159.04338	0.4
161.02307	1.5
161.05962	0.8
163.03908	4.2
165.01842	2.7
171.04335	0.3
173.05971	0.9
175.03975	0.7
177.01814	0.8
177.05502	0.3
178.04982	0.4
179.03358	1.1
181.01428	0.6
181.04977	6.3
181.06512	0.7
183.02864	1.4
183.04402	0.7
185.05995	0.5
187.03886	1.0
189.01810	0.7
189.05524	0.7
191.03476	0.6
195.02931	0.7
197.05931	0.6
199.03792	0.7
201.05476	2.7
203.03365	1.0
205.01262	2.1
205.04866	0.6
207.02879	0.8
211.03886	0.8
213.01901	0.6
213.05487	0.8
215.03372	0.4
217.01285	2.5
217.04901	0.4
219.02892	0.5
219.06590	0.4
223.03842	0.7
225.05528	0.6
227.03319	0.7
229.04974	6.8
231.02905	0.9
237.05515	1.0
239.03424	0.8
241.04958	0.9
245.04427	0.7
247.06026	1.2
251.03485	0.5
253.04936	0.8
255.02905	1.4
255.06535	1.1
257.04501	4.6
265.04956	0.7
269.04480	1.8
271.06113	0.4
273.03976	2.3
274.04733	1.2
275.05533	0.6
281.04507	1.4
283.06113	2.0
285.03958	3.8
287.05490	0.8
299.05447	2.3
302.04129	0.3
303.05002	100.0
304.05334	1.6
305.02917	0.6
307.05774	0.5
309.03961	0.3
311.05392	0.9
313.03439	13.5
314.03870	0.4
315.04999	0.7
319.04340	0.7
321.07336	0.7
325.07138	1.3
327.05209	0.6
329.02850	4.2
329.06573	5.6
331.04367	2.4
337.03552	0.5
339.05035	0.8
347.03946	4.6
349.07159	0.4
353.06589	0.6
355.04489	6.7
367.08212	0.7
373.05490	5.1
377.06744	2.4
381.06189	0.6
395.07675	1.1
405.06158	1.1
419.07388	0.5
423.07104	19.3
424.07596	0.9
429.06320	0.4
437.08795	0.9
447.07129	2.5
465.08206	12.3
483.09232	64.0
484.09506	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87363	1.0
55.08112	0.9
62.16320	0.9
65.03932	1.3
67.05492	1.2
69.39480	8.9
75.28170	1.0
89.06016	1.4
91.05486	10.9
109.10094	1.0
114.26826	1.0
118.63005	1.2
119.04945	27.1
147.04414	100.0
148.04758	1.2
203.95599	1.0
238.11702	1.1
382.12820	1.0
447.27567	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	482.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96852	0.4
55.05480	0.4
56.05028	1.5
57.07084	3.0
58.06592	1.6
60.07883	0.9
60.08169	16.3
66.72272	0.4
66.81772	0.5
67.05504	1.0
69.07073	0.9
69.79566	2.4
71.07023	0.7
71.07378	6.2
71.08638	2.6
81.07066	0.8
83.49358	0.5
85.10184	0.8
86.09712	49.6
95.08627	1.5
97.24976	0.4
98.21496	0.8
98.98471	4.2
104.10751	97.9
105.11073	1.1
109.10172	0.5
125.00014	25.8
143.81433	0.4
163.01547	0.9
183.22617	0.5
184.07356	100.0
185.07637	0.7
258.11005	1.0
299.25848	1.7
464.31427	8.4
481.91144	0.5
482.32462	28.1
483.32190	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15119	0.5
58.82002	0.5
59.45207	0.4
65.03950	2.3
68.99763	2.2
71.01587	1.0
81.03403	1.2
91.05447	1.1
93.03418	4.6
95.04942	0.6
109.02863	1.1
111.00774	1.1
111.03718	0.8
111.04441	13.3
112.41972	0.6
119.04917	0.7
121.02856	1.5
123.04389	1.3
127.03886	1.1
135.04366	0.8
137.02347	19.6
137.03369	1.3
139.03905	29.6
145.02867	1.2
149.02319	1.5
153.01817	5.9
155.04919	0.5
161.02298	1.3
163.03918	4.9
165.01820	2.2
173.05951	1.0
175.03908	0.6
177.01820	0.7
179.03386	1.3
181.01323	0.7
181.04953	4.7
183.02838	1.2
183.04297	0.7
187.03908	1.5
191.00786	0.6
191.03442	0.6
201.05557	2.9
203.03383	1.4
205.01308	2.5
207.02870	0.8
211.03882	0.7
217.01270	1.7
219.02960	0.6
225.05359	0.5
227.03305	1.1
229.05026	5.3
231.02988	0.7
241.04895	0.7
245.04460	1.0
247.05861	0.8
253.04984	0.7
257.04541	3.8
268.69107	0.6
269.04257	1.1
273.03952	1.8
274.04700	0.6
281.04459	0.9
285.03918	1.9
299.05515	1.9
303.04996	100.0
304.05408	1.4
325.06888	0.7
329.02859	4.0
329.06598	4.8
331.04504	2.1
347.03934	4.5
355.04437	6.6
361.03418	0.7
367.08011	1.1
373.05566	3.2
377.06494	1.9
381.06070	0.7
395.07565	0.8
405.06235	1.5
423.07086	19.8
424.07227	1.0
465.08200	13.4
483.09229	69.4
484.09430	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.3
53.14629	2.9
54.11996	3.4
55.01870	8.2
55.05502	10.2
57.03441	4.5
57.07069	13.4
59.04992	4.5
61.02922	5.3
67.05508	8.6
69.03442	23.9
69.06727	4.4
69.07075	63.3
71.04987	3.9
71.08633	11.0
71.57350	6.5
71.99200	3.1
73.02899	6.1
73.06561	7.4
76.72763	3.3
76.92426	3.0
79.05494	6.0
81.03426	18.8
81.07053	14.7
82.75085	3.8
83.04979	4.6
83.08628	7.5
85.02909	49.6
85.10207	3.8
87.00843	19.8
89.06047	32.2
90.07667	3.4
91.05487	6.3
91.61391	3.3
93.07041	7.4
95.04990	5.3
95.08603	9.7
97.02904	35.5
97.06532	5.4
99.04445	9.3
105.01874	33.2
105.07022	4.6
107.08597	6.0
109.02908	15.0
109.06503	5.8
109.10180	6.0
110.17764	3.2
111.11729	68.5
115.48203	3.1
117.01871	3.7
117.07024	3.7
121.10139	4.8
123.11717	4.6
125.05991	5.2
127.03929	54.9
129.07011	3.5
129.12769	100.0
131.08611	4.1
133.10161	5.1
139.07581	4.0
145.04922	17.7
153.09128	6.1
159.02873	5.3
199.16930	16.2
203.03442	6.4
217.16136	3.2
217.18021	11.0
231.05020	11.4
265.17880	4.2
398.17334	3.7
446.29984	4.1
482.14395	6.0
482.19568	5.8
483.26535	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	482.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	2.9
64.71491	2.7
67.05479	2.9
70.11189	5.3
70.11596	11.3
77.96864	2.5
79.99673	2.7
86.09671	3.2
90.80952	2.8
91.05486	11.0
109.78687	2.9
116.55188	2.8
119.04970	25.2
147.04427	100.0
224.55501	3.1
256.51437	3.1
384.59769	3.3
447.27298	10.4
501.94321	3.2
508.75504	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	482.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
55.01867	1.4
55.05514	8.6
57.03429	1.4
57.07069	2.9
67.05499	1.4
69.03432	5.1
69.07072	66.1
70.08104	1.8
70.08472	3.2
71.04989	4.1
71.08625	1.5
73.02902	1.6
79.05504	0.9
81.03432	4.9
81.07042	3.0
83.08600	3.0
85.02426	1.1
85.02905	11.4
85.10188	1.3
87.00825	6.0
89.06036	1.3
91.05436	0.9
91.93488	0.8
93.07026	1.0
94.43830	0.8
97.02905	6.2
97.06544	1.3
98.20836	1.3
99.04435	2.9
105.01869	3.6
105.58337	0.8
107.08588	1.2
109.02871	3.7
111.11726	100.0
112.12083	1.1
117.01823	1.5
127.03925	8.7
129.12726	3.7
145.04950	3.9
159.02916	2.5
195.34683	0.9
195.53204	1.2
199.16946	33.2
213.03944	1.1
217.17999	16.6
231.05035	1.4
346.94928	0.9
355.47919	1.0
446.30081	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.28
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.05506	0.7
67.05485	0.7
69.07066	0.5
69.52493	0.4
70.46838	1.0
72.82170	0.3
79.05485	1.6
79.37537	0.3
81.07059	0.5
83.08621	0.4
89.03921	8.0
91.05489	0.4
93.07053	0.8
95.08604	0.4
98.20770	0.4
107.04966	2.4
110.75237	0.3
117.03392	8.7
135.04427	20.2
145.01744	0.8
145.02861	13.0
145.03911	0.5
163.03915	100.0
164.04277	0.8
222.11900	0.4
237.07553	0.9
248.19687	0.4
301.23679	0.7
463.27002	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.2
55.01868	5.6
55.05511	19.4
57.07075	4.8
65.03934	3.7
67.05510	42.6
68.99792	2.8
69.03427	12.6
69.07076	23.5
71.04981	11.3
71.57137	3.2
79.05508	23.1
81.03422	4.4
81.07066	54.1
83.04990	12.8
83.08624	9.5
83.13222	2.3
85.02913	7.6
85.06547	12.8
87.00805	3.5
91.05486	24.9
93.07059	46.6
95.04953	11.4
95.08614	100.0
97.02864	4.6
97.06541	11.2
97.10178	16.2
98.09715	4.7
99.04477	3.8
99.08086	4.3
101.05999	4.4
105.01891	2.6
105.07047	32.7
105.14444	2.4
107.08600	57.4
109.02867	4.8
109.06502	15.5
109.10168	55.7
110.07159	3.9
111.08077	10.5
113.06004	5.1
113.09657	15.5
115.03928	3.1
115.05459	3.2
117.07011	8.5
119.08583	39.8
121.06500	8.7
121.10146	30.3
122.10511	3.3
123.04424	3.8
123.08076	35.4
123.11728	13.3
125.06022	5.3
125.09634	10.6
127.03915	7.4
129.06955	3.4
129.09116	5.0
131.08588	10.6
133.06499	3.3
133.10147	27.2
135.08066	23.4
135.11688	17.3
137.05998	16.8
137.09616	19.2
137.13235	4.8
139.07535	11.1
139.11137	4.0
141.09132	20.5
143.08527	8.6
144.09305	3.5
145.10144	22.3
147.04433	4.1
147.08064	5.9
147.11684	22.1
149.09656	13.9
149.13278	7.3
151.07587	12.6
151.11179	5.9
153.05470	3.9
155.08612	4.2
156.09317	3.2
157.08806	5.0
157.10123	22.2
159.11722	19.7
161.09616	12.3
161.13269	10.8
163.07506	6.8
163.11180	15.0
163.14845	6.3
165.09109	12.6
165.12737	8.3
167.07068	4.1
169.08728	3.4
169.10146	5.0
171.08052	2.7
171.11699	20.0
173.09637	5.6
173.13242	16.1
175.11176	14.0
175.14879	6.0
177.05469	3.2
177.09145	4.7
177.12758	10.9
179.10649	2.7
179.14310	4.1
183.11697	6.6
185.13309	10.2
187.09749	4.4
187.11234	5.8
187.14790	7.5
189.12796	17.3
191.10541	3.1
191.14270	5.6
193.12309	3.9
199.11053	2.7
199.14845	6.3
199.16849	4.0
201.12762	4.4
201.16457	3.4
203.10782	2.9
203.14311	6.3
205.12274	2.6
205.15919	5.4
205.21324	3.0
211.14807	3.5
213.12834	2.7
213.16429	7.7
215.14330	6.8
215.18089	4.2
225.16304	4.5
227.17928	8.2
229.15854	6.1
229.19705	3.4
231.13792	4.3
231.17444	10.3
233.15327	4.6
241.19522	6.6
243.17409	3.6
245.19022	17.8
247.20493	4.1
255.17476	6.4
257.19034	4.3
259.09674	3.3
259.20615	11.3
261.18552	3.2
263.19873	3.4
270.11011	3.2
273.18332	14.8
275.20251	4.5
281.17719	3.7
287.19931	3.8
309.22000	2.4
363.26767	4.3
381.27951	16.1
395.20087	3.9
399.29086	34.8
405.18488	2.8
409.27380	5.0
417.30350	15.3
427.28577	20.8
437.21356	11.7
445.29712	31.5
463.30756	37.9
481.20285	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19290	0.5
55.01887	0.5
55.05499	1.0
58.69737	0.5
66.19450	0.5
67.05503	1.3
69.03420	0.9
69.07058	0.7
70.39400	0.6
71.04984	0.6
71.56102	0.6
79.05486	0.9
81.03429	0.6
81.07052	2.6
83.08622	0.5
85.02892	0.8
86.09704	1.3
91.05492	1.6
93.07030	2.1
95.08623	3.6
97.10169	1.3
105.07027	1.8
107.08585	2.6
109.02892	1.0
109.10143	0.6
119.01929	0.7
119.08602	2.1
120.08122	0.7
121.02869	2.8
121.10178	1.4
122.09671	3.7
123.04478	0.6
123.08132	0.7
123.11728	0.9
127.03908	0.7
133.10118	2.6
135.11685	2.8
137.06020	2.4
145.10121	0.9
147.11694	1.0
153.01843	1.7
153.05490	2.5
159.11859	0.7
233.15257	3.1
245.06366	0.8
251.15007	2.3
269.16058	1.0
275.14810	1.4
287.05508	13.1
293.16058	2.4
303.04855	1.1
305.16025	0.7
313.03528	1.4
331.04666	1.1
395.19891	10.2
407.07751	3.1
421.05478	6.1
437.21341	28.2
449.08743	3.2
450.71350	0.6
480.80295	3.3
481.11530	6.2
481.20453	100.0
481.80405	0.8
482.20520	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	481.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.8
61.89447	0.5
63.02368	0.5
67.05508	0.7
69.26400	0.4
71.07941	0.6
71.08286	0.7
72.94139	0.4
81.07072	0.9
83.04983	0.5
89.03918	8.3
91.05483	1.4
93.07034	0.5
95.08633	0.7
105.07046	0.7
106.04137	0.6
117.03389	20.9
134.03647	2.0
135.04417	1.5
145.02858	52.9
149.05991	8.0
158.06018	0.6
163.03923	1.3
177.05479	100.0
178.05794	0.9
186.05542	2.1
250.80270	0.5
332.48453	0.5
338.15472	0.5
463.27005	3.8
481.15155	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.9
67.05500	2.1
69.03424	1.2
69.07079	1.1
71.05013	0.8
79.05487	1.7
81.03429	0.9
81.07070	3.0
83.04980	0.9
85.02898	1.2
86.09715	1.8
87.10047	0.9
91.05483	1.9
93.07053	3.2
95.04979	0.7
95.08619	3.8
97.02911	0.8
97.10162	0.9
100.11264	1.8
105.07031	2.4
107.04966	1.2
107.05734	0.5
107.07386	0.6
107.08601	2.5
109.02895	0.9
109.06554	1.2
109.10196	1.4
118.48730	0.5
119.08575	3.6
119.35533	0.6
120.08115	0.9
121.02873	5.2
121.10131	1.2
122.09683	7.6
123.04437	1.2
123.08105	0.7
123.11700	1.2
127.03925	1.1
133.10118	4.0
135.11714	3.8
135.39857	0.6
137.02341	1.1
137.05974	5.3
138.06265	0.6
143.11795	0.7
145.10098	0.9
147.11705	0.7
150.18082	0.6
151.07614	0.7
153.01863	2.7
153.05463	4.5
161.13228	1.1
163.11125	0.7
165.01875	0.9
171.11507	0.6
173.13226	0.7
175.14911	1.0
179.07143	0.7
187.04068	0.6
229.41241	0.7
233.15382	3.3
251.14944	2.5
253.04951	0.7
269.04477	0.9
269.16049	1.1
271.02405	2.3
275.15018	2.0
283.64264	0.6
285.03833	0.7
285.12427	2.0
287.05527	26.2
289.05441	1.2
293.16031	2.8
303.05014	1.1
305.16037	1.4
311.05267	0.7
313.03632	3.4
313.06839	1.1
331.04486	1.1
339.05121	1.0
359.06116	0.7
377.19070	0.8
395.19797	11.4
407.07565	5.3
421.05576	11.3
422.06375	1.1
437.21356	32.5
438.21692	1.1
449.08807	6.0
452.18173	0.6
460.28537	0.8
472.29398	0.6
480.80457	4.2
481.11472	9.8
481.20438	100.0
482.20538	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05585	0.4
67.05579	0.5
69.03494	0.6
70.02684	0.3
70.63321	0.4
71.05058	0.7
71.44958	0.4
79.05632	0.3
81.03500	0.5
81.07117	0.4
85.03017	1.7
91.05564	0.8
93.07119	0.4
95.08676	0.6
97.03004	0.5
105.07134	0.6
107.08651	0.4
109.10260	0.7
111.04598	0.5
119.05075	0.4
121.02968	0.5
122.03696	0.5
122.09771	0.7
123.04556	0.6
127.04028	0.8
133.10162	0.5
137.02374	3.0
137.03447	0.5
137.05988	5.2
147.04597	0.4
153.01942	0.6
157.10258	0.5
161.06099	0.4
175.04054	1.4
187.04068	1.0
200.04924	0.4
203.03426	3.3
215.03468	0.9
216.04390	1.3
227.03625	1.2
229.05052	0.4
232.08228	0.4
243.03111	1.2
244.03662	2.7
245.04640	1.2
257.04639	1.2
263.07187	0.4
271.02390	18.8
272.02655	0.4
274.06519	0.5
285.04236	1.3
287.05411	2.5
289.03592	1.4
291.06717	0.6
292.07443	0.4
302.05954	0.4
303.06870	1.7
307.12427	0.6
309.07651	0.7
313.03656	0.7
319.06042	4.1
331.05902	0.6
337.07159	1.1
347.05527	2.6
348.06119	0.8
349.07117	0.7
359.05478	0.4
365.06592	3.7
375.05002	0.7
376.05783	2.1
393.05972	0.7
421.05563	100.0
422.06110	6.8
427.16632	1.0
481.07584	42.2
482.07806	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84900	0.4
55.01871	0.6
55.05522	2.9
67.05507	2.4
67.33888	0.4
69.03437	1.2
69.07063	2.7
70.20150	2.1
71.05004	0.9
79.05504	2.7
79.77107	0.5
81.03426	1.6
81.07064	4.8
83.08642	0.6
85.02902	1.2
91.05508	2.2
93.07036	3.2
95.04984	1.1
95.08603	4.4
97.06538	1.0
97.10182	3.8
99.04460	0.7
100.11287	0.7
105.07044	2.9
107.04963	0.5
107.08613	3.0
109.02907	0.8
109.06535	4.1
109.10151	4.0
111.08110	0.7
117.07082	0.9
119.08587	2.8
121.06516	1.0
121.10149	1.9
123.04361	0.5
123.08096	1.4
123.11736	1.3
125.06012	1.2
127.03910	1.1
131.08586	1.3
133.10147	2.7
135.08104	1.0
135.11688	2.7
137.05984	16.9
137.09628	1.2
139.11150	0.6
145.10152	1.5
147.04350	0.5
147.08031	1.0
147.11736	0.9
149.09657	1.2
149.13301	0.7
151.07550	1.2
153.05478	0.6
157.10109	1.1
159.11736	1.4
161.09634	1.0
161.13261	1.0
162.13579	0.6
163.11226	0.6
164.56776	0.5
165.09164	1.0
165.29262	0.5
171.11722	0.6
173.13206	0.7
175.11198	0.8
175.14911	1.1
179.10747	0.9
179.14366	0.7
182.15483	0.6
187.11201	0.6
187.14911	0.6
203.14455	0.6
205.12303	0.5
205.15929	0.9
215.14244	1.0
231.04939	0.7
233.15157	2.9
243.17305	1.2
245.06389	1.2
245.15240	0.6
251.15034	1.3
259.17087	0.5
261.14728	0.8
261.18552	1.4
271.16998	0.7
275.14981	0.7
275.19928	0.6
287.05679	0.6
289.05383	2.2
289.17972	0.9
293.15906	0.6
334.06479	0.5
377.19247	0.7
395.20346	9.4
399.29156	0.8
409.27499	0.7
427.28403	1.5
437.21478	28.6
438.21942	0.9
445.29822	2.7
463.30414	1.5
481.20496	100.0
482.20917	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	480.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.2
55.01872	6.3
55.05519	11.5
55.73664	2.0
57.03412	3.7
57.07060	6.8
61.02919	6.5
67.05505	15.6
68.99789	2.4
69.03431	32.5
69.07059	7.6
69.23770	7.6
69.24191	14.9
71.04988	4.5
73.02905	4.5
79.05490	3.3
81.03423	23.8
81.07067	39.3
83.08625	9.0
85.02910	100.0
87.00835	50.6
91.05464	2.6
93.07047	4.1
94.52728	2.1
95.08612	53.4
97.02899	32.4
97.10194	10.5
99.04445	11.6
99.08108	2.5
105.01877	82.4
105.07016	3.0
107.08628	3.1
109.02224	2.5
109.02895	28.1
109.10168	57.0
115.11214	2.1
123.11718	68.5
123.12587	4.9
127.03929	75.0
129.01855	3.6
137.05881	2.3
137.13278	21.0
145.04958	28.6
147.02898	2.7
151.11261	2.9
152.99239	1.8
157.85558	2.1
159.02907	9.2
177.16371	3.6
179.10747	7.4
179.17976	51.0
189.03932	3.1
192.26338	2.1
197.11761	5.8
197.19037	46.8
213.03885	2.8
215.12881	3.7
231.04988	30.0
249.06036	14.3
305.21310	2.6
341.89426	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	480.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	11.9
57.03431	3.4
57.07057	4.1
62.05835	2.5
62.06097	26.8
67.05508	15.9
69.07084	20.8
69.36995	25.5
71.08627	3.6
77.01332	2.4
79.05474	3.8
81.07063	14.3
83.08621	12.4
91.05475	6.8
92.05811	2.8
93.07021	3.4
95.08604	10.0
96.50351	2.7
97.06512	3.1
97.10163	11.0
98.21531	5.0
98.98460	7.8
105.03371	4.7
107.08580	3.5
109.10181	6.1
119.04919	9.4
120.05296	4.4
121.10122	5.4
147.04416	30.4
148.04715	12.9
149.05957	5.9
155.01039	8.2
164.86040	2.9
181.04927	2.8
265.25266	5.5
275.52115	3.4
308.29483	15.4
339.28998	100.0
388.91006	2.8
419.25763	3.6
477.10968	3.1
480.13626	3.2
480.34424	5.8
481.14810	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	480.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	6.3
55.05510	15.1
57.07092	5.5
58.10228	3.6
67.05505	20.7
69.03433	36.3
69.07079	5.7
73.02913	7.5
74.67905	3.4
81.03439	24.2
81.07058	42.0
83.08622	14.9
85.02419	7.3
85.02912	100.0
87.00829	42.6
92.22400	3.3
95.08617	53.8
97.02906	32.3
97.10172	19.2
98.21456	7.4
99.04452	10.9
105.01876	83.4
108.04443	4.7
109.02899	30.7
109.10164	73.9
111.46542	3.8
115.11248	4.2
123.11713	74.2
127.03928	71.1
137.13248	24.4
145.04984	31.5
159.02937	9.9
179.17931	57.2
192.28865	4.1
197.19002	48.1
213.04024	5.9
223.62672	3.5
231.05043	33.3
249.06139	15.3
409.94153	4.5
467.12283	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	480.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.7
53.89549	1.6
55.01864	5.5
55.05515	16.8
55.52188	2.1
57.03416	3.9
57.07065	6.2
59.59665	1.9
61.02920	4.9
67.05503	25.2
69.03432	27.7
69.07059	11.0
70.88791	5.4
70.92324	1.7
71.04983	4.9
73.02892	3.9
79.05495	5.5
81.03415	16.0
81.07059	53.5
83.08626	18.9
83.80789	2.1
85.02909	74.9
85.10192	2.5
87.00832	38.9
88.58083	1.8
88.88920	1.9
91.05521	3.1
93.07033	4.2
94.75568	2.0
95.08612	76.5
95.38840	2.1
96.08943	2.7
97.02895	25.7
97.10166	21.6
99.04452	7.1
105.01865	76.8
105.07025	4.1
107.08572	4.5
109.02885	22.6
109.10160	81.3
115.11205	3.9
119.08578	8.6
121.10113	4.5
123.11709	100.0
127.03925	55.3
127.04666	1.3
133.10167	4.4
135.11671	3.5
137.13257	40.3
145.04976	23.2
159.02892	4.5
161.13245	13.4
179.14355	25.5
179.17953	66.9
197.15326	24.2
197.19026	62.7
198.19388	2.5
213.04013	4.2
215.16508	5.5
226.92593	1.9
231.04996	22.8
249.06071	18.3
353.67038	1.9
480.30200	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	480.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.01874	1.5
55.05513	1.6
57.03427	1.0
61.02918	0.8
65.03932	2.0
67.05502	2.0
68.99779	0.7
69.03442	6.0
69.07073	1.7
71.01352	0.5
71.04997	1.0
71.57042	0.7
73.02914	1.4
73.13400	0.4
77.40431	0.5
79.05493	1.9
80.69189	0.4
81.03428	5.1
81.07062	2.6
82.07368	0.7
83.01334	0.5
83.04977	0.7
83.08617	0.6
84.08952	0.5
85.02424	0.6
85.02914	11.4
85.06544	0.6
85.52908	0.5
87.00837	4.9
90.76596	0.4
91.05488	100.0
92.05830	0.9
93.07030	1.2
95.04961	1.1
95.08611	2.5
97.02904	4.3
97.10186	1.1
98.09697	3.4
99.04455	1.9
105.01884	3.6
105.07050	1.6
106.07367	0.5
107.08601	1.2
108.08943	0.6
109.02882	4.9
109.10169	1.8
111.04458	0.6
116.10756	1.3
117.01856	0.8
119.08594	0.9
121.10133	1.1
123.11720	0.5
127.03931	8.5
129.01868	0.8
133.10112	0.6
135.11729	0.5
137.05980	2.4
137.09674	0.5
145.04991	4.0
145.10155	0.6
145.87018	0.4
147.11720	0.7
151.07535	0.9
157.10139	0.6
159.02917	3.3
161.13327	0.6
166.09474	0.6
168.13875	0.5
171.31677	0.4
179.07059	1.7
196.07419	0.6
197.15268	0.5
197.18950	0.6
208.24136	0.5
215.10693	31.7
216.11023	0.8
227.10622	3.0
231.05037	1.5
232.07381	0.8
239.10750	2.5
245.08136	0.9
248.07600	0.6
257.11761	2.2
264.23431	0.6
266.21121	0.5
281.11572	2.4
305.11935	0.6
312.42212	0.5
323.12820	5.2
326.23309	1.2
427.13959	1.2
462.29282	1.6
480.29517	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	479.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38308	4.6
55.05513	7.0
57.07082	82.3
66.44153	4.8
69.07050	9.4
69.74302	23.1
70.36870	4.7
71.04981	17.4
71.08636	72.6
71.32445	4.9
83.08629	8.4
85.10175	48.9
89.06028	55.5
91.05475	8.4
93.07062	11.5
95.08609	9.1
105.07040	6.8
121.10190	9.4
125.05283	5.9
125.06017	60.4
129.82954	5.2
141.05537	6.0
149.05894	6.7
149.09572	7.2
151.07567	30.2
153.05496	100.0
163.07533	13.2
165.09129	29.4
167.06984	7.6
177.09122	17.3
179.10661	15.1
181.08575	5.7
191.10637	7.6
191.14348	5.0
195.10191	7.5
209.11676	9.1
219.13878	8.4
223.13463	7.4
243.87920	5.0
247.16966	5.2
251.16415	9.2
265.17999	10.8
279.19745	8.8
293.21014	8.1
313.74341	5.5
402.29544	6.3
419.35297	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	479.3371
Annotation	Polyporusterone A
Peak:m/z	Relative Intensity
51.78317	4.2
55.01857	8.7
55.05514	48.6
57.07080	29.6
57.66351	4.8
57.94430	4.9
65.03951	5.0
65.40603	5.1
65.58387	4.8
67.05506	28.2
69.03424	6.2
69.07079	82.1
71.08630	18.8
71.57868	5.5
79.05497	20.3
81.07072	61.4
83.01351	33.8
83.08619	42.9
84.78720	4.8
85.10175	6.0
91.05484	17.0
93.07034	23.6
95.04990	7.8
95.08616	58.1
97.06521	5.2
97.10169	18.6
105.07027	19.1
107.04955	6.9
107.08593	20.5
109.10159	27.6
111.11710	11.1
115.05479	7.0
119.08566	16.5
121.06491	26.4
121.10151	7.7
123.11700	16.8
125.05983	6.5
129.01869	7.4
131.08594	9.3
133.06490	12.4
133.10115	9.8
135.08063	11.9
135.11726	7.7
137.05934	11.1
137.13235	14.2
139.03896	20.1
144.19299	6.2
145.06480	32.5
145.10127	13.9
147.08055	8.7
149.05992	11.8
149.13203	6.8
151.07558	43.0
152.10666	6.0
153.05467	10.3
159.08022	6.4
159.11621	7.2
163.07555	100.0
165.09109	5.2
175.07527	6.7
175.11191	5.8
177.09084	15.5
179.03381	17.4
179.07062	5.9
181.05023	9.4
187.07559	14.8
193.08578	18.1
195.06552	9.4
197.04454	71.8
199.06044	12.5
205.08595	5.6
237.11511	5.9
289.85760	5.3
302.04245	6.7
303.01303	8.9
317.06537	13.7
333.31451	6.7
359.29437	44.1
415.32019	15.0
425.30405	14.7
443.31503	28.7
461.32617	99.8
479.24469	17.1
479.33853	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	479.337
Annotation	Polyporusterone A
Peak:m/z	Relative Intensity
53.03944	1.9
55.01875	0.7
55.05263	0.5
55.05514	5.2
55.68112	0.4
56.14369	0.3
57.03443	0.7
57.07066	0.8
61.78700	0.4
65.03934	0.7
65.71414	0.3
67.01858	2.8
67.05509	8.1
69.03426	0.7
69.07077	5.4
71.01337	0.5
71.04997	0.7
79.05496	7.0
81.03426	0.8
81.07059	6.8
83.00882	0.7
83.01344	6.8
83.04976	1.3
83.08618	2.2
84.02124	0.4
85.06532	0.6
91.05485	4.8
93.07049	7.5
95.01331	0.5
95.04977	2.2
95.08618	5.3
97.06512	0.8
97.10174	1.5
105.07020	2.6
107.04942	1.3
107.08595	2.6
109.06489	0.8
109.10162	1.8
111.94526	0.4
117.07033	1.1
119.08585	1.8
121.06538	0.5
121.10157	0.9
123.04387	0.9
123.11750	0.6
125.05968	0.7
129.01849	1.4
129.07008	0.9
131.08502	0.4
133.02789	0.4
133.10088	0.9
135.04471	2.6
135.11707	2.9
137.02338	0.5
137.13145	0.4
143.08502	0.5
145.10179	0.8
147.08047	0.5
147.11691	2.3
151.03909	2.5
153.05498	2.6
161.02284	0.5
161.09592	0.7
161.13321	0.8
163.03911	0.5
163.11154	1.0
169.04961	0.7
171.11725	1.7
175.11176	0.5
179.03383	1.5
181.04990	4.5
181.12253	0.9
189.12814	1.0
195.06538	7.0
197.04468	100.0
198.04823	0.9
199.06038	12.3
207.06549	1.1
207.13806	1.9
209.08095	2.3
213.03943	6.3
221.08109	2.8
223.09668	3.5
231.10280	0.4
235.09676	1.5
237.11209	3.2
249.11197	4.2
250.35480	0.4
251.12924	0.9
255.15985	3.3
263.12808	1.3
281.17612	2.0
317.06671	0.7
319.19037	0.6
438.48346	0.4
443.31747	3.0
461.33054	30.1
462.32886	1.0
479.33777	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	479.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84285	0.5
55.05511	1.2
55.74652	0.5
57.07071	0.8
58.53059	0.5
65.03931	1.0
67.05495	1.5
69.07052	1.8
70.07389	2.2
77.60812	0.6
79.05479	1.1
81.07062	2.1
81.73911	0.5
91.05486	13.0
93.07091	0.7
95.08626	0.8
103.95525	0.6
109.10168	0.9
111.78407	0.5
119.04104	1.4
119.04956	28.4
121.10175	1.2
147.04425	100.0
148.04742	0.9
155.54288	0.6
221.08121	1.8
246.95186	0.6
276.03555	0.5
302.04288	1.8
303.01575	0.7
317.06488	1.1
322.18982	0.5
338.41391	0.6
391.26901	0.6
461.29089	3.3
479.33423	1.1
487.01465	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.0
55.01897	2.0
55.05521	12.3
57.03445	6.7
57.03666	1.1
57.07080	2.0
65.03935	2.3
67.01859	3.1
67.05511	34.1
69.03457	1.5
69.07069	13.8
69.24976	13.2
71.01351	2.4
71.05023	2.1
79.05054	2.7
79.05502	38.6
81.03437	4.1
81.07062	25.8
83.01337	7.0
83.04975	6.5
83.08621	4.3
85.02908	2.3
85.06554	3.7
85.68590	1.2
91.05495	27.7
93.07050	40.2
95.04986	10.6
95.08614	12.5
97.06541	5.8
97.10177	4.7
105.07036	16.1
107.04938	3.5
107.08607	15.6
108.05503	1.6
109.06522	2.6
109.10164	4.2
111.31233	1.2
117.07071	6.0
118.46416	1.3
119.08599	10.7
120.08116	2.1
121.10146	2.1
123.08082	2.5
129.01833	1.5
129.07001	7.5
133.02847	1.5
133.10129	3.7
135.04410	3.2
135.11719	17.7
137.09608	1.7
143.08582	2.3
145.10136	7.7
146.03940	1.2
147.08089	2.2
147.11688	13.9
151.03917	5.6
161.09653	1.4
161.13336	4.0
163.11209	1.7
171.11679	8.9
175.11189	1.7
179.03362	3.7
181.05005	6.1
181.12299	4.3
189.12794	4.8
195.06572	6.9
197.04469	100.0
199.06036	13.0
200.18597	1.3
207.13837	13.9
209.08156	2.0
213.03949	6.3
221.08153	2.2
223.09627	3.1
225.14914	2.2
235.09837	1.6
237.11195	2.1
240.19801	1.2
249.11253	5.0
255.15947	19.8
263.12625	1.7
281.17429	17.7
281.20288	1.9
281.23843	1.4
302.04248	1.6
317.06528	2.6
406.64474	1.2
443.31503	2.2
461.28671	23.3
461.33093	18.7
479.10480	1.3
479.33911	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	479.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85780	0.5
55.05511	1.5
55.69767	0.4
67.05513	3.4
69.03445	1.3
69.07075	1.7
71.04989	1.6
71.26768	0.7
79.05503	1.8
81.03423	1.9
81.07075	3.1
83.04973	0.6
83.08642	0.7
85.02913	1.8
85.06550	1.0
86.09714	100.0
86.46287	0.5
87.00857	0.8
88.02214	0.5
91.05486	4.4
93.07064	2.9
95.04973	0.6
95.08615	6.0
97.02897	0.8
97.06561	1.0
99.04491	0.8
99.08120	0.6
105.01883	0.7
105.07056	2.1
107.08601	3.2
109.02853	0.7
109.06513	1.3
109.10161	4.4
111.04429	0.6
113.09673	0.6
117.07025	0.8
119.04967	3.5
119.08615	1.7
120.08130	0.8
121.06521	0.8
121.09368	0.9
121.10128	3.5
122.09718	0.8
123.04475	0.7
123.08054	0.8
123.11763	0.9
125.06013	0.7
127.03923	2.4
131.08583	1.4
132.12192	0.6
133.10150	2.2
134.10492	1.0
135.08075	0.7
135.11716	1.8
136.07582	15.6
136.12088	0.6
137.05984	7.5
137.09688	0.9
137.13197	0.6
143.08554	1.1
143.11809	19.2
145.10132	1.7
147.04416	2.5
147.11714	1.4
150.00061	0.6
151.07594	1.5
153.05502	0.9
157.10168	1.0
159.11719	0.7
163.03984	0.7
163.11275	0.7
165.09135	1.7
166.09544	1.3
167.09749	0.8
171.11317	12.2
175.11351	0.8
175.14816	1.2
176.15204	0.6
177.16437	1.5
177.18811	0.6
179.07059	8.1
189.12766	0.6
195.13734	0.6
195.17493	1.9
196.09712	21.1
196.11475	1.1
196.14200	0.6
203.63474	0.5
212.67148	0.5
213.12828	0.9
213.18492	5.0
231.13843	0.6
231.19543	0.8
233.15483	0.6
239.17584	3.3
243.17477	0.8
249.16028	0.8
261.18527	1.2
284.19724	5.8
309.18106	11.3
310.18216	0.5
379.11700	0.5
397.11673	0.5
397.27643	0.7
425.26868	0.6
433.48373	0.8
443.28040	1.1
451.07175	0.6
461.28091	1.9
479.05908	1.2
479.18753	2.3
479.30301	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	4.9
55.01866	8.9
55.05502	7.0
57.03430	5.3
60.49987	2.8
67.05506	6.6
68.99796	3.8
69.03439	43.4
69.07071	8.5
69.38609	3.0
69.45902	13.1
69.46329	8.0
71.04990	8.0
79.05507	4.7
81.03430	19.1
81.07056	13.1
83.08639	4.0
85.02422	6.3
85.02917	100.0
87.00835	41.8
89.61488	2.9
91.05463	5.2
93.07040	9.1
95.08617	15.2
97.02901	31.5
99.04449	9.6
100.51466	3.2
105.01884	59.9
105.07037	5.2
107.08605	16.5
109.02904	28.0
109.10181	9.9
111.04423	3.2
119.08569	7.0
121.10145	16.4
121.18259	2.9
123.11729	3.1
127.03924	56.0
133.10152	4.7
135.11697	8.8
137.09648	4.5
137.13280	9.0
139.11185	3.4
145.04976	20.7
147.02899	3.9
147.04472	4.8
159.02890	5.2
165.09135	22.8
177.16418	35.5
185.04156	2.9
189.03984	5.5
195.17468	16.2
213.04088	4.0
231.05023	12.5
250.95590	3.2
317.06396	5.6
331.10028	41.1
360.18207	3.4
456.69992	2.8
479.15170	17.6
479.27304	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.4
66.79145	0.3
68.64277	0.4
70.85831	0.9
70.86197	0.3
73.02910	0.4
91.05457	0.6
101.02403	0.4
119.04976	0.5
121.02863	0.4
135.09171	0.9
137.02341	1.1
147.09163	0.4
151.07544	1.3
161.07109	0.6
171.07921	2.1
172.05055	1.9
172.08716	2.7
173.09473	1.4
174.10316	0.8
175.08687	0.7
186.06625	0.5
187.07413	11.7
188.08173	1.9
198.06595	0.7
199.07402	6.9
199.09094	0.5
200.08183	1.0
203.87703	0.4
216.07713	2.6
216.10089	3.8
229.07239	1.0
237.10292	0.4
243.08792	30.0
244.09566	100.0
245.10136	2.8
257.10355	1.3
302.04120	0.5
317.06567	1.2
336.15469	0.7
361.15369	0.5
362.13519	3.4
378.15344	12.5
379.16138	38.4
380.16684	0.5
404.81494	0.4
461.16812	0.4
479.17438	1.9
503.03397	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.4
55.05516	5.6
57.03416	1.6
58.27541	1.1
59.40045	1.2
67.05498	4.5
69.03433	6.2
69.07076	3.3
69.48053	9.3
74.30532	1.3
79.05497	3.3
81.03416	4.4
81.07048	7.0
83.04998	2.1
83.08630	1.8
85.02934	5.8
87.00846	2.5
91.05479	3.7
93.07052	4.2
95.04984	2.2
95.08624	7.5
97.02888	3.0
97.10163	3.3
99.04482	1.6
105.03411	4.3
105.07041	4.3
106.03757	2.2
107.08583	3.5
109.02888	4.6
109.10162	2.7
119.08605	3.6
121.10150	5.0
123.04463	1.5
123.08076	1.7
123.11691	1.3
125.06000	1.5
127.03918	8.8
129.06953	1.1
131.08572	1.5
133.10124	2.2
135.08145	1.5
135.11707	2.0
137.05981	2.7
145.10220	1.7
147.11737	2.1
149.09700	1.5
149.13266	1.6
151.03925	3.0
151.07610	3.6
152.04272	1.7
153.05524	1.3
157.10115	1.3
161.09697	2.0
165.09023	1.4
177.09189	1.7
187.06065	1.6
203.05357	1.9
211.16911	2.1
213.12726	1.7
229.08665	5.8
229.18057	2.1
230.08972	3.7
231.09138	2.6
231.13795	3.7
245.06328	6.1
287.03665	1.7
289.05313	55.8
393.18994	1.6
425.26840	3.2
435.19980	8.6
443.27686	1.4
461.28766	2.9
479.18939	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	9.2
55.01876	7.5
55.05509	17.7
57.03455	8.1
61.02938	3.5
62.48837	2.4
65.03947	4.0
67.05505	18.9
68.99805	6.9
69.03430	50.8
69.07083	10.4
71.05013	10.5
71.56479	2.7
72.79109	2.2
73.26863	2.4
74.95827	2.3
79.05515	10.9
80.51257	2.5
81.03417	61.6
81.03851	4.3
81.07050	25.1
83.05004	11.6
83.08658	4.4
85.02911	71.0
85.06588	3.6
86.09715	5.7
87.00833	22.0
91.05504	8.8
91.21213	2.6
93.07046	17.5
95.05009	8.9
95.08617	22.2
97.02900	21.5
97.06582	3.7
97.10189	12.6
99.04453	18.6
103.03985	3.7
105.01893	8.1
105.07060	10.9
107.05012	4.5
107.08620	11.1
108.08923	3.1
109.02884	50.3
109.03569	3.7
109.06561	10.3
109.10189	11.0
111.04449	14.9
111.08121	4.6
119.08614	8.5
121.06524	2.8
121.10183	8.3
123.04412	17.4
123.08096	7.7
123.11729	5.1
125.02348	2.8
125.06019	5.1
125.09666	3.7
127.03924	100.0
129.01855	3.9
129.07130	3.1
131.08569	4.4
133.10170	7.4
134.27325	2.6
135.08138	5.0
135.11765	7.7
137.02376	3.0
137.06003	13.9
139.03946	2.9
141.05457	3.2
143.08647	3.5
145.05057	4.2
145.10202	7.4
147.11717	6.4
149.13261	3.5
151.03983	5.1
151.07608	7.6
153.05446	4.0
157.10065	2.6
159.11703	3.5
163.11224	3.8
165.09175	9.9
167.07047	13.1
169.04956	6.5
169.10204	3.5
171.11662	3.5
179.03500	9.4
181.05032	3.0
187.06082	3.4
189.04012	11.6
213.03893	15.1
231.05083	10.0
259.16934	4.9
273.03989	9.0
273.06400	5.0
425.26883	5.1
443.28024	7.5
461.09427	15.8
461.29596	3.3
461.79819	2.9
479.19360	5.2
479.25677	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	479.1186
Annotation	Quercetin 3-methyl ether 3'-glucoside
Peak:m/z	Relative Intensity
52.54316	2.0
53.03934	3.2
55.01886	2.4
55.05513	2.9
57.03435	5.0
59.71513	2.1
61.02938	2.6
67.05505	5.9
69.03432	11.2
69.07059	3.0
71.04996	18.6
71.56805	2.2
79.05489	3.4
81.03418	7.2
81.07057	7.3
85.02901	28.4
87.00833	3.3
91.05480	6.5
93.07053	6.6
95.04977	5.1
95.08611	7.8
97.02874	5.9
99.04462	2.3
105.01852	2.3
105.07058	4.7
107.07813	1.8
107.08604	7.8
109.02876	8.9
109.06535	2.1
109.10155	3.7
111.04469	2.4
119.04855	2.4
119.08595	4.4
120.08064	2.1
121.02875	2.2
121.10139	5.0
123.04440	3.3
127.03920	10.0
129.05469	5.1
133.06396	2.4
133.10199	3.9
135.04410	1.8
135.11719	4.4
137.02377	3.2
137.06004	2.1
139.03932	2.2
143.08621	2.6
145.04933	3.2
147.04424	8.1
147.17371	1.9
148.79907	2.0
149.09674	2.2
153.01840	11.4
158.97903	2.0
161.09560	2.3
163.03909	4.0
165.01860	3.4
165.09085	4.4
177.16368	7.8
213.18475	6.3
219.02931	2.7
229.04903	3.8
231.13853	3.7
231.20992	2.2
245.04329	4.6
255.03154	2.3
257.04529	4.8
274.04688	4.4
285.03940	4.7
285.12485	2.4
301.03360	2.5
302.04193	15.7
317.06567	100.0
318.03510	4.8
333.06039	61.5
361.02597	2.6
405.05890	2.8
479.06110	8.6
479.18784	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2931
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
55.05516	9.2
57.03431	4.1
57.07071	2.6
62.06092	29.5
67.05175	1.6
67.05510	26.4
69.06773	1.2
69.07078	12.0
70.70023	3.4
75.89021	1.2
77.25855	1.2
79.05490	5.9
81.07061	31.2
83.08616	6.5
91.05485	3.3
93.07049	10.7
95.08610	19.7
97.06520	2.1
97.10158	3.5
98.98477	9.2
105.07043	2.8
107.08585	4.8
109.10171	6.2
112.91100	1.1
115.96725	1.1
116.07630	1.2
119.08582	2.9
121.10142	5.9
123.11710	2.6
124.01587	1.8
133.10130	3.6
135.11662	2.4
137.13332	1.3
142.02686	1.3
147.11668	1.6
149.13197	2.0
155.01056	7.7
157.78018	1.0
161.13263	2.7
163.03979	1.3
164.11830	1.1
173.02089	1.6
210.38145	1.0
216.06348	2.4
245.22714	1.8
263.23676	7.4
306.27979	10.7
337.27380	100.0
338.27652	3.1
460.28052	1.9
478.29047	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2931
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03928	0.9
55.01867	0.8
55.05262	0.7
55.05517	11.7
57.03192	0.5
57.03445	7.0
57.07064	1.6
58.06604	0.6
65.03940	0.6
67.05509	24.0
69.07072	15.4
69.45820	3.2
71.04984	0.5
71.08616	1.0
76.43330	0.4
78.31976	0.3
79.05499	7.8
81.07062	26.5
83.04982	0.5
83.08624	6.2
85.06556	0.4
85.10191	0.5
91.05487	5.3
93.07063	7.5
95.04973	0.9
95.08611	19.4
97.06532	1.6
97.10177	3.3
98.98476	0.5
105.07037	3.9
107.08604	4.1
109.06524	0.5
109.10162	6.3
111.08079	1.0
111.11695	0.5
119.08600	2.5
121.10149	2.4
123.08091	0.6
123.11716	2.6
125.09689	0.5
130.03485	0.4
133.10161	2.3
135.11728	2.0
137.09677	0.4
137.13258	0.9
144.10222	0.8
147.11694	1.4
149.13292	0.9
160.12183	0.4
161.13254	1.1
163.14848	0.7
165.12796	0.6
168.30917	0.4
175.14777	0.8
198.05370	0.5
245.22699	0.5
263.23767	1.4
290.53796	0.4
306.27826	3.3
337.27383	100.0
338.27756	2.8
478.15561	0.6
478.35266	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.5
55.01871	5.6
55.05509	5.5
56.05040	2.6
57.03435	5.2
61.02921	5.3
67.05511	8.3
68.99792	1.7
69.03433	39.2
69.03812	2.0
69.07068	11.7
70.19730	4.8
71.01368	1.5
71.05000	6.9
73.02913	4.7
79.05501	8.0
81.03420	21.5
81.07063	23.9
83.01325	2.4
83.08621	6.0
85.02908	100.0
85.06532	3.1
87.00291	2.5
87.00832	49.6
91.03955	1.8
91.05479	5.0
93.07047	19.7
95.04990	1.8
95.08610	37.8
97.02896	28.4
97.10173	4.4
98.20847	1.9
99.04462	12.6
99.08109	2.5
105.01872	76.8
105.07056	3.5
107.08597	31.0
109.02887	24.9
109.10146	7.7
113.09705	1.7
117.01900	2.3
119.08557	1.5
121.10152	48.1
123.11703	2.3
125.73235	1.3
127.03925	63.2
129.01866	2.9
131.08516	1.2
133.10168	4.2
135.11684	15.8
137.13261	5.2
145.04973	34.9
147.02901	1.9
149.13293	5.0
150.02246	1.5
151.07571	4.7
152.03886	1.3
152.07899	1.4
159.02876	10.8
159.11713	4.7
165.09108	2.7
177.12802	5.2
177.16396	94.9
189.04033	3.6
195.13759	4.9
195.15593	2.0
195.17447	39.7
196.17824	1.7
197.40977	1.4
213.04047	2.3
213.14856	15.0
231.05026	25.8
246.66992	1.2
249.06050	12.0
271.24405	1.3
325.45444	1.6
452.40817	1.4
460.27307	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.0
55.01867	4.4
55.05502	4.4
57.72441	2.0
58.33606	1.8
67.05506	2.6
67.75287	2.1
69.03423	11.8
69.07076	6.3
69.63232	12.7
70.00395	1.5
79.05484	3.0
81.03416	5.9
81.07062	9.4
83.08624	5.9
85.02904	24.1
87.00842	13.5
91.05444	2.5
93.07029	7.2
95.08616	23.2
97.02907	10.1
97.10153	5.5
99.04451	3.4
99.08096	4.7
105.01878	14.8
105.07000	3.3
107.08605	22.6
108.08926	2.1
109.02899	4.6
109.10165	6.5
119.08542	2.4
121.10147	38.5
123.11668	2.3
125.09599	3.8
127.03925	14.2
135.11711	12.5
137.13205	2.4
145.05000	8.6
149.13240	3.6
177.16394	100.0
183.84842	2.1
195.17422	18.9
198.09090	2.0
213.18520	10.4
231.05064	6.3
249.06078	3.4
285.18463	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	478.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.3
54.94115	1.2
55.01867	2.0
55.05504	3.9
57.07072	2.2
61.02927	2.1
67.05504	2.9
68.99805	1.4
69.03429	11.3
69.07072	7.3
70.20348	5.0
71.04990	1.8
79.05492	2.8
81.03424	7.4
81.07061	11.9
83.08621	4.7
85.02905	31.1
87.00838	15.1
88.26848	1.1
91.05469	2.1
93.07050	7.0
95.08611	21.5
97.02884	9.4
97.10181	1.7
99.04453	4.8
99.08083	1.5
105.01878	18.5
107.08596	19.4
109.02878	7.8
109.10178	6.9
121.09306	2.6
121.10158	37.5
121.11037	2.7
127.03922	19.6
135.11653	7.1
137.13223	5.2
144.17281	1.4
145.04980	7.6
149.00795	1.1
149.13246	3.7
159.02896	3.9
177.16396	100.0
178.16690	2.2
195.17451	39.1
210.87997	1.2
211.11591	1.2
230.11800	5.3
230.18401	1.5
231.05017	6.5
249.06050	3.4
261.86172	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.2
54.18135	1.9
55.05514	24.0
57.07058	6.2
65.38566	2.1
67.05515	24.0
69.07069	36.0
71.08636	3.0
71.15544	4.3
72.46243	1.9
79.05496	29.0
81.06582	3.9
81.07059	73.1
83.01341	23.3
83.04971	3.0
83.08621	17.0
85.06539	4.4
91.05475	7.6
93.07040	17.2
95.04969	5.3
95.08052	3.3
95.08614	52.7
96.05725	2.4
97.10170	10.2
105.07012	7.9
107.04957	13.3
107.08569	8.9
109.09464	2.3
109.10165	33.9
111.08061	6.0
111.11721	6.4
119.04968	3.1
119.08620	2.8
120.21067	2.3
121.06477	4.4
121.10151	9.6
123.11718	15.8
131.08585	4.6
133.06461	3.9
133.10138	4.1
135.04482	3.3
135.08133	4.3
135.11702	4.9
137.05963	2.8
137.13234	7.8
139.03918	2.5
139.07550	39.6
145.10168	2.8
147.08041	2.6
149.05922	2.5
149.13246	4.3
151.07507	6.8
151.14861	3.3
153.05499	2.2
159.08087	4.9
159.11714	2.0
161.06041	3.1
163.07597	2.3
167.07048	100.0
173.09674	6.4
174.06827	2.5
175.07529	5.2
177.05479	2.3
177.09061	2.9
179.06972	4.1
181.04962	35.6
189.09094	7.6
191.07037	18.9
191.10580	2.8
192.47878	2.0
193.08591	4.8
195.06554	32.6
197.08099	7.3
201.09117	6.9
203.10715	4.1
205.08624	23.2
215.10635	7.4
219.10133	6.9
231.10068	2.6
233.11699	7.2
245.11751	2.5
247.13287	3.2
253.72374	1.9
260.55002	2.2
272.58786	2.4
279.26886	10.9
303.59714	2.1
427.32074	25.1
445.33151	71.5
445.65631	2.4
446.33319	2.9
459.27414	2.3
477.35037	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	477.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03175	0.8
53.03937	2.2
55.01864	2.7
55.05513	9.8
57.03428	2.4
57.07075	1.2
60.94591	0.6
65.03927	1.8
67.05170	1.2
67.05508	17.4
69.03407	2.3
69.07085	5.4
69.76725	3.5
71.04977	2.0
75.09334	0.7
75.83848	0.7
79.05500	11.7
81.03447	3.0
81.07059	17.5
83.01297	1.2
83.04982	4.4
83.08617	4.4
85.02921	1.4
85.06553	1.3
91.04950	1.2
91.05480	12.0
92.88869	0.7
93.07053	12.3
95.04971	5.7
95.08607	19.7
97.06537	2.1
97.10177	4.8
99.04499	1.0
99.08086	1.4
99.72672	0.7
105.07035	10.1
107.04945	2.1
107.08603	10.1
108.05757	1.1
109.06519	2.5
109.10157	9.2
111.04443	1.3
111.08093	1.8
113.09632	1.3
117.07030	4.1
119.08600	5.3
120.08926	0.7
121.06507	2.9
121.10142	3.4
123.04330	0.6
123.08075	12.6
123.11723	3.6
125.05970	1.3
125.09619	4.3
128.06174	0.7
129.06996	2.9
131.08530	4.1
133.06483	1.7
133.10144	5.3
135.08052	3.2
135.11726	3.7
137.09622	4.5
137.13240	1.6
141.09074	1.4
143.08559	1.9
145.06488	2.0
145.10141	3.1
147.08060	2.2
147.11682	2.5
149.09674	1.3
149.13243	3.0
151.07549	100.0
151.11153	1.9
152.07867	1.1
153.09088	0.8
153.12747	1.0
155.08575	1.2
157.06512	0.8
157.10132	1.7
159.08136	1.0
159.11693	1.9
161.09621	2.2
163.11208	4.0
165.09128	32.0
166.09384	1.6
167.07051	3.3
171.11667	1.0
173.09666	1.1
173.13252	0.8
175.07454	0.9
175.11188	2.7
175.14792	0.8
177.09154	2.1
177.12733	0.8
181.12178	0.7
187.09720	1.2
187.11195	1.5
187.14825	1.4
189.11201	2.3
189.12793	2.6
191.10646	5.5
193.12267	1.0
195.11964	0.8
195.13829	1.1
196.66870	0.7
197.09795	0.9
199.11118	1.1
203.10681	0.9
205.12267	2.1
209.11662	1.5
213.12827	0.8
227.12790	1.7
233.15417	2.2
257.22382	0.6
259.16931	1.1
287.16263	0.7
293.24634	1.2
303.19556	1.1
305.17081	0.8
317.21301	1.1
321.24332	1.3
327.25259	1.4
339.25162	2.3
349.21997	1.6
356.67670	0.7
357.24124	1.3
367.22696	4.5
370.59473	0.7
385.23785	9.8
395.29477	2.0
397.23309	0.7
403.24683	2.8
413.30521	2.4
431.32047	1.0
436.67081	0.6
441.25726	0.8
459.27100	6.7
477.28366	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	477.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.7
55.01875	20.3
55.05516	43.2
57.03439	11.0
59.05007	3.3
63.72270	1.5
65.03941	5.6
66.14449	1.8
67.05509	78.8
69.03423	5.1
69.07069	23.6
70.16789	2.8
70.17182	4.3
71.04990	5.7
73.02885	1.7
79.05497	69.5
81.03423	17.2
81.07063	73.7
83.01351	3.4
83.04990	21.2
83.08620	22.7
83.51368	1.9
85.02897	3.9
85.06541	5.9
91.05485	60.4
93.07050	60.8
95.04977	32.6
95.08617	25.9
97.02885	3.3
97.06532	13.7
97.10177	21.1
98.20898	2.0
99.04469	2.6
99.08134	2.8
103.03853	1.7
103.05488	3.5
105.07040	39.5
107.04951	16.1
107.08605	43.1
107.42804	1.6
109.06523	14.0
109.10153	22.7
111.04465	9.5
111.08097	8.7
115.05442	3.2
117.07021	22.5
119.04990	2.4
119.08566	17.5
121.06480	12.6
121.10159	16.9
123.04446	4.0
123.08080	11.0
123.11735	6.3
125.05949	1.9
125.09624	16.9
128.06169	3.2
129.07021	11.4
131.04945	2.8
131.08589	24.0
131.20935	1.5
131.42465	1.7
133.06511	4.8
133.10138	29.5
135.04370	1.9
135.08067	9.5
135.11716	16.3
137.05992	2.5
137.09615	4.5
141.06998	4.6
141.87929	1.6
143.08549	8.1
145.06441	8.8
145.10147	19.8
147.07983	8.5
147.11674	7.5
149.06058	2.5
149.09656	4.1
149.13271	13.6
151.07608	1.9
151.11183	10.4
153.09152	5.6
153.12766	6.2
155.08556	4.9
157.06488	4.2
157.10170	6.8
159.08040	6.1
159.11674	11.5
161.05978	3.4
161.09619	4.6
163.11206	23.0
167.07114	3.3
167.08511	2.4
169.10146	5.2
169.12291	2.5
171.08018	3.0
171.10196	1.8
171.11655	3.3
173.09637	5.6
173.11743	1.7
173.13271	2.8
175.11186	2.1
177.09180	2.2
177.12759	5.5
181.12238	5.3
183.11742	2.6
185.13243	4.1
187.11189	2.2
187.14827	2.4
189.09470	2.8
189.11241	15.5
189.12755	3.5
191.10710	6.7
193.12274	5.5
195.11806	2.1
195.13800	6.7
197.13301	2.8
199.11320	3.4
201.12807	2.6
205.12392	3.1
205.15868	2.8
207.13872	4.0
209.11734	5.5
213.12881	2.3
215.14400	7.8
227.12784	10.0
229.21249	1.6
231.13954	2.2
233.15367	9.9
273.14917	4.9
275.16452	2.3
287.16525	2.8
322.97122	1.8
338.82669	1.6
339.23187	7.5
349.21722	6.4
350.26154	1.7
357.24185	13.7
367.22751	28.7
375.25281	2.4
385.23758	63.5
403.24667	17.5
411.24863	1.9
431.27798	3.8
441.26331	4.6
459.27435	39.5
477.28476	100.0
478.29019	3.2
484.51688	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.9
55.01872	3.1
55.05515	13.9
57.03444	10.3
65.03946	3.5
67.05509	41.5
69.03423	1.2
69.07070	7.2
71.05007	3.0
77.03947	1.9
77.34310	1.0
79.05500	53.3
80.05839	0.9
81.03432	15.2
81.07059	32.7
83.04993	14.8
83.08624	4.9
85.06551	3.6
91.05489	100.0
92.05820	1.9
93.07053	43.1
95.04975	17.6
95.08619	14.1
97.02886	4.1
97.06518	5.3
97.10180	2.5
105.04517	2.0
105.07042	44.2
107.04983	8.6
107.08607	13.1
109.06525	5.8
109.10152	2.2
111.08086	2.2
115.05468	1.5
117.07027	14.6
119.08595	23.9
121.06553	1.8
121.10164	4.3
123.08065	5.3
128.06256	5.6
129.07025	10.8
131.08607	5.1
133.06529	1.4
133.10146	34.7
135.08040	7.0
135.11642	1.9
137.05980	4.3
137.09668	1.5
143.08583	9.9
145.10179	6.5
147.08067	2.1
147.11703	22.8
149.09628	6.4
151.11189	3.8
161.09637	19.9
161.13239	9.0
171.11699	20.4
179.10706	12.3
179.14262	1.5
189.12766	9.7
197.11761	1.7
207.13829	20.4
211.96497	1.1
225.14943	1.9
226.11075	1.3
235.13206	1.8
253.14359	39.8
281.17514	41.8
309.16904	2.2
325.18146	2.5
389.22974	1.2
441.26056	1.6
459.27435	25.6
477.28436	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	11.5
55.05267	2.2
55.05516	32.6
57.03454	6.9
57.07079	2.8
59.05003	2.6
59.77323	1.4
65.03926	2.2
67.05508	56.1
69.03431	3.0
69.07069	14.9
70.70122	3.9
70.74800	1.2
71.04981	6.1
79.05497	51.3
79.09319	1.3
80.05855	1.5
81.03420	14.3
81.07059	67.9
83.01347	6.9
83.04989	21.3
83.08626	19.5
85.02894	4.8
85.06548	3.8
91.05480	39.2
93.07048	57.8
95.04972	11.4
95.08041	2.2
95.08607	24.1
97.02879	3.8
97.06538	7.8
97.10183	8.4
97.89782	1.3
99.04475	1.6
99.08118	2.2
105.04551	1.5
105.07036	22.1
107.04959	10.0
107.07878	1.6
107.08596	31.7
109.06533	8.5
109.10159	9.6
111.04422	10.1
111.08055	8.6
117.07040	19.5
119.08596	12.0
121.06510	6.1
121.10158	14.8
123.08083	7.2
123.11697	2.4
125.05973	3.0
125.09618	9.6
129.07013	5.4
130.07803	1.3
131.04884	2.0
131.08571	11.7
133.06520	3.1
133.10136	10.9
135.08060	6.3
135.11700	18.5
137.09653	3.2
141.06981	2.8
143.08542	2.5
145.06488	3.2
145.10138	15.8
147.08076	3.4
147.11690	3.2
148.48250	1.2
149.09616	2.0
149.13271	16.2
149.28207	1.3
151.07568	7.5
151.11205	2.4
151.77954	1.3
153.09148	1.6
153.12750	6.6
155.08563	3.7
157.10153	2.3
159.11687	8.1
163.11174	28.2
165.09123	5.9
169.10103	2.2
171.10324	1.8
171.11726	1.9
173.09624	5.6
177.12726	6.5
181.12241	8.4
189.11189	4.1
189.12773	2.0
191.10696	9.7
195.13786	9.0
197.13298	2.4
209.11719	10.0
215.14339	1.8
227.12720	10.7
233.15411	5.2
251.16426	2.2
339.23196	1.6
349.21692	2.7
357.24158	3.9
367.22488	6.8
385.23688	16.8
403.24774	7.3
432.54800	1.4
433.25620	1.5
459.27267	11.7
477.28470	100.0
478.28970	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	477.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06141	1.5
51.12495	1.7
53.03937	7.1
55.01879	14.3
55.05514	44.6
57.03441	10.2
57.07057	2.4
59.05003	2.1
65.03935	5.5
67.05508	75.0
69.03424	4.7
69.07073	18.6
71.04999	8.8
79.05497	68.4
79.05959	3.2
81.03429	18.5
81.07062	80.3
83.01335	3.4
83.04986	20.8
83.08617	23.7
85.02882	3.9
85.06534	4.9
91.05484	61.6
93.07049	65.8
95.04971	27.1
95.08611	29.5
97.02914	2.1
97.06524	14.0
97.10165	19.4
98.20716	4.2
99.04447	3.6
99.08123	1.8
103.05466	2.7
105.04506	2.1
105.07034	38.6
107.04979	14.4
107.08598	40.2
109.06512	14.6
109.10168	21.3
111.04435	8.0
111.08092	10.0
114.65564	1.9
115.05400	1.9
117.07026	23.9
119.08579	20.5
121.06497	13.7
121.10160	20.8
123.04382	3.3
123.08079	8.2
123.11700	4.9
125.05959	2.2
125.09654	17.1
128.06270	2.0
129.07024	10.7
130.11743	1.6
131.04918	4.5
131.08571	22.1
133.06487	5.6
133.10129	33.4
135.04431	4.8
135.08054	9.8
135.11700	16.5
137.06021	2.2
137.09630	3.1
139.07596	1.9
141.07001	2.0
143.08571	10.0
145.06493	7.7
145.10118	18.0
147.08064	9.6
147.11696	4.8
149.06021	3.6
149.09631	4.9
149.13289	14.3
151.11188	9.9
153.09122	3.9
153.12808	3.9
155.08569	7.0
157.06445	3.2
157.10114	5.6
159.08066	4.7
159.11691	10.0
161.06044	3.8
161.09610	5.0
163.11203	21.5
165.09209	2.0
167.07098	2.6
167.08511	2.6
169.10118	4.2
171.08119	4.3
171.11725	4.3
173.09630	5.6
175.07503	2.7
175.11214	4.8
177.12775	4.0
179.08449	2.4
181.12250	8.0
183.11638	1.9
185.09596	2.6
185.13278	3.8
187.14781	2.4
189.09393	2.3
189.11215	14.3
191.10666	6.9
191.14273	2.0
193.12285	5.2
195.13844	6.3
197.13269	4.1
199.11224	3.8
203.14337	3.3
205.12299	4.2
205.15904	2.3
207.13860	3.1
209.09662	2.6
209.11748	5.1
213.12691	2.8
215.14252	5.5
227.12633	11.2
228.41330	2.1
231.13651	2.0
233.15436	12.6
259.13287	2.9
271.16733	2.0
273.14957	2.0
273.18451	1.7
287.16412	4.7
296.29193	1.6
339.23172	8.5
349.21616	7.4
357.24100	13.3
367.22702	33.9
375.25354	3.0
385.23758	66.6
386.23975	2.0
403.24664	13.8
423.71176	1.9
431.27734	2.4
441.26349	4.5
459.27499	42.7
477.28494	100.0
478.29077	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.6
55.01880	16.7
55.05263	3.4
55.05516	46.3
57.03427	9.5
65.03925	5.3
67.05508	71.2
69.03437	2.7
69.07072	21.9
70.90070	2.2
70.97246	5.3
71.04990	6.3
75.70046	2.1
79.05058	4.4
79.05497	66.6
81.03413	19.4
81.07061	72.2
83.01336	3.8
83.04993	21.3
83.08629	25.2
85.06544	4.9
91.05482	52.7
93.01084	2.2
93.07051	62.7
95.04971	36.1
95.08613	27.2
97.02884	2.5
97.06531	12.7
97.10171	25.7
101.06090	2.5
105.03423	3.3
105.07037	42.1
107.04985	21.2
107.08605	44.6
109.06551	11.8
109.10165	26.5
111.04467	8.8
111.08097	8.5
115.05438	4.2
117.07038	24.1
119.04925	2.2
119.08590	19.5
121.06516	13.1
121.10146	17.7
123.04431	3.7
123.08080	8.5
123.11729	5.7
124.47619	2.4
125.09641	23.3
128.06265	3.7
129.06961	10.8
131.08582	25.5
133.06503	6.5
133.10155	35.3
134.15096	2.1
134.51274	2.2
135.04459	4.4
135.08072	9.2
135.11707	15.3
137.09639	5.8
141.07024	3.2
143.08591	8.0
145.06508	8.7
145.10126	19.7
147.08061	12.4
147.11674	7.3
149.09621	6.6
149.13269	11.0
151.11180	13.7
153.09128	4.3
153.12729	8.5
155.08557	9.5
157.06467	3.5
157.10124	4.6
159.08043	5.0
159.11697	8.1
161.05946	3.4
161.09610	4.7
161.13254	2.6
163.11203	26.7
165.09148	10.3
165.30011	3.1
167.08481	3.5
169.10159	5.3
171.08136	3.8
171.10170	2.3
171.11661	3.8
173.09634	7.9
173.13252	4.4
175.11214	3.2
176.46306	2.2
177.12724	2.9
181.10072	2.8
181.12270	7.7
183.11696	2.6
185.13275	3.2
187.11229	3.6
187.14821	2.7
189.11230	13.4
189.12711	2.8
191.10654	4.2
193.12268	5.7
195.08003	2.5
195.13754	5.2
197.13286	3.1
199.11063	3.3
205.12306	5.0
205.15788	4.0
207.13792	6.0
209.11717	5.0
213.12756	3.9
215.14378	6.6
225.16380	2.2
227.12779	13.9
233.15370	12.6
257.15295	3.1
269.15381	4.8
273.14838	3.5
274.98843	2.5
287.16467	3.9
301.18100	2.7
321.22046	3.3
339.23270	11.0
349.21829	7.8
350.22137	2.7
357.24304	13.6
367.22717	32.8
385.23734	64.2
403.24792	17.3
441.26566	7.5
459.27444	42.8
477.28528	100.0
478.28909	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	477.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.6
53.82024	2.5
55.01880	15.8
55.05512	100.0
57.03427	10.5
58.22308	2.4
61.02084	2.3
65.03951	5.4
67.05171	4.8
67.05508	78.2
69.03430	9.7
69.07075	32.7
69.42171	4.9
69.42575	21.4
71.04990	4.2
79.05495	86.4
81.03433	7.6
81.07059	82.0
83.01333	3.3
83.04977	15.6
83.08618	45.5
85.06551	3.3
91.05480	74.0
93.07052	46.0
95.04981	16.4
95.08613	29.0
97.06547	4.9
97.10174	73.6
99.08119	3.2
100.69443	2.9
102.36054	2.5
103.05463	13.4
105.07035	47.1
107.04962	12.2
107.08594	43.6
109.06500	12.8
109.10157	18.0
111.08084	5.9
115.05475	11.2
117.07024	47.1
119.04922	4.1
119.08585	29.0
121.06557	14.3
121.10193	12.8
121.70551	2.3
123.08057	7.6
123.11716	6.0
125.09629	67.2
125.90359	2.6
128.06207	9.2
129.06996	35.8
130.07791	3.2
131.04903	3.4
131.08563	46.5
133.06490	15.5
133.10165	16.7
135.08058	12.0
135.11711	8.9
137.05986	3.6
137.09596	3.2
141.06996	16.4
142.07785	3.1
143.04942	3.6
143.08582	22.0
145.06467	23.1
145.10147	26.5
147.08069	9.3
147.11743	8.2
149.05988	4.0
149.09612	7.3
149.13315	5.3
151.11282	2.5
153.09140	8.9
155.08586	20.2
156.09334	4.1
157.06512	7.7
157.10110	13.0
159.08078	10.4
159.11739	14.0
161.09659	6.2
163.11177	8.6
167.07076	12.7
167.08424	6.1
169.10126	11.7
170.10742	2.9
171.08093	10.7
171.10283	4.8
171.11642	15.7
173.05972	4.0
173.09612	7.0
173.13191	5.4
179.08537	3.7
181.04948	4.2
181.10095	8.2
181.12355	2.7
183.11720	4.4
185.09683	3.1
185.13275	4.1
187.14790	14.1
189.11211	52.2
189.12715	4.0
191.10716	3.9
193.10213	3.3
195.06459	4.8
195.11711	6.7
195.13792	2.6
197.13277	12.6
199.06056	10.4
199.11206	9.1
207.11845	3.9
209.11717	4.2
211.14766	3.0
213.12782	6.5
215.14320	40.6
217.12270	3.0
223.11285	5.5
227.12668	24.2
231.13803	5.0
233.15349	16.9
239.14128	3.5
241.12129	5.2
243.13730	3.1
247.13072	3.0
255.13846	5.3
259.13095	3.2
269.15390	4.6
270.56360	2.8
271.17142	3.4
273.14877	4.9
277.14304	3.0
289.18018	6.1
321.22330	5.9
331.20685	3.2
339.23120	13.5
349.21539	22.0
357.24271	7.4
367.22665	50.7
367.26825	4.7
375.09094	3.4
385.23755	49.9
403.24734	20.9
417.09949	9.2
441.26178	12.5
459.27258	86.5
460.27386	3.0
477.27917	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	477.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	13.9
55.05512	43.7
57.03437	9.2
57.07085	2.7
59.04994	3.6
65.03942	5.4
67.05507	83.0
69.03426	4.1
69.07074	21.8
70.63153	2.6
70.63497	3.2
71.01336	1.8
71.04993	6.9
77.03910	1.5
79.05493	68.1
81.03429	12.0
81.07059	79.8
83.01345	3.3
83.04987	20.3
83.08623	23.0
85.02899	2.2
85.06552	4.1
91.05482	58.3
93.07046	64.5
95.04971	33.2
95.08613	27.7
97.02882	2.1
97.06525	12.6
97.10175	22.4
98.21426	1.7
99.04447	3.2
99.08133	2.8
99.46950	1.4
103.05473	3.6
105.04517	1.7
105.07038	38.7
105.07751	2.1
107.04959	15.5
107.08601	44.3
109.02961	1.7
109.06524	12.4
109.10155	28.0
111.04419	7.1
111.08106	8.8
115.05443	3.3
117.07027	21.9
119.04972	2.5
119.08579	17.9
121.02786	1.7
121.06522	11.6
121.10131	15.8
123.04399	4.3
123.07329	1.8
123.08077	10.6
123.11693	3.6
125.06001	2.8
125.09618	14.4
128.06261	3.0
129.06975	11.3
130.07822	1.7
131.04993	2.8
131.08574	21.0
133.06514	7.7
133.10135	32.6
135.04451	3.9
135.08060	8.5
135.11705	18.0
137.05963	3.6
137.09607	7.8
137.13223	1.8
139.07544	3.2
141.07002	3.2
142.07837	1.5
143.08568	6.2
145.06480	8.7
145.10138	21.0
147.04442	2.5
147.08063	7.1
147.11687	5.2
149.05989	2.6
149.09593	4.3
149.13263	16.6
151.07573	2.1
151.11183	10.5
151.74530	1.6
153.09099	4.6
153.12747	5.9
155.08551	4.7
157.06506	2.5
157.10179	4.4
159.08083	6.7
159.11716	9.5
161.05957	2.6
161.09587	4.9
163.07550	1.8
163.11172	19.7
165.09129	39.2
167.07057	5.2
167.08502	2.8
168.85141	1.3
169.10129	5.1
169.12325	1.8
171.08075	5.0
171.10371	1.9
171.11746	6.1
173.09616	6.2
173.13272	2.9
175.07680	1.8
175.11177	2.4
177.12778	5.7
179.10765	1.8
181.10123	2.4
181.12277	6.1
183.11621	2.4
185.09695	2.3
185.13275	2.9
187.11165	3.4
187.14827	2.0
189.09430	2.2
189.11235	12.0
189.12758	2.7
191.10663	6.1
193.12277	6.4
195.11748	2.8
195.13811	8.0
197.13284	5.0
199.11151	2.9
203.14305	2.0
205.15990	2.2
207.13756	3.7
209.11726	4.7
213.12779	4.7
213.49174	1.5
215.14323	4.9
217.12169	1.8
223.13216	2.1
227.12672	11.6
233.15392	10.4
243.14099	1.6
249.14874	1.6
269.15231	1.7
273.14905	3.9
287.16446	4.0
339.23218	9.4
349.21429	8.1
357.24255	9.7
367.22662	31.9
368.22800	1.9
375.25143	1.6
385.23740	64.7
403.24875	14.7
431.28210	2.0
441.26285	5.7
459.27356	43.5
477.28442	100.0
478.28885	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59546	2.2
51.74578	1.9
55.01878	12.9
55.05267	2.7
55.05515	48.7
57.03428	9.3
57.07076	5.2
59.04984	3.4
62.39764	2.3
64.23872	2.4
65.03949	2.9
67.05508	75.3
69.03438	5.0
69.07066	23.2
70.81998	3.3
70.82327	3.3
71.01399	2.0
71.05000	6.3
79.05064	4.3
79.05498	65.7
81.03426	14.5
81.07063	73.7
83.01363	3.0
83.04991	16.9
83.08619	22.1
85.02906	4.2
85.06554	4.7
91.05486	59.8
93.07047	54.2
95.04977	28.8
95.08600	25.6
97.02855	2.6
97.06546	12.5
97.10172	21.6
99.08113	2.9
103.05485	2.5
105.04539	3.6
105.07038	41.1
107.04964	19.2
107.08601	41.8
109.02863	2.8
109.06513	11.0
109.10168	26.1
111.04438	9.2
111.08092	9.5
115.05444	4.0
116.06306	2.2
117.07015	24.5
119.04948	2.1
119.08578	20.1
121.06496	12.7
121.10160	15.7
123.04433	2.3
123.08083	7.3
123.11702	5.3
125.06039	2.8
125.09631	16.3
129.07018	9.8
131.08553	22.1
133.06514	4.9
133.10130	26.5
135.04468	2.7
135.08057	8.3
135.11694	13.5
137.09628	4.5
141.06990	2.8
143.08583	8.5
145.06479	10.1
145.10133	21.4
147.08063	7.3
147.11699	4.7
149.09644	5.8
149.13271	15.0
151.11200	9.5
153.09142	4.6
153.12747	3.1
155.08537	5.5
157.06519	2.5
157.10167	5.2
159.08083	6.3
159.11743	9.3
161.09630	3.4
163.11191	25.7
165.09119	4.1
167.07109	4.3
169.10179	3.0
171.08136	2.4
171.11647	5.0
173.09656	5.9
173.13246	3.5
175.11159	3.1
177.12685	5.8
181.12222	6.6
185.00969	2.6
185.09615	2.6
185.13312	4.0
187.14890	3.8
189.09483	2.4
189.11165	11.1
191.10692	6.7
193.12297	5.7
195.11807	2.8
195.13879	7.7
197.13283	2.6
205.15796	2.8
209.11642	4.4
209.13466	2.5
211.11304	2.7
211.14798	2.5
213.12877	4.4
213.16681	2.7
215.14333	6.1
219.13818	2.7
227.12801	7.0
231.13968	2.5
233.15393	9.1
241.12100	2.3
244.88559	2.1
247.13135	2.9
249.14909	2.9
259.13089	2.5
273.14932	4.5
287.16452	4.9
307.19293	2.0
339.23093	7.7
349.21646	7.7
357.24390	12.1
367.22668	28.5
385.23730	67.5
403.24884	12.7
403.29745	2.4
404.25998	2.4
441.26343	7.8
459.27469	42.0
460.27576	2.9
477.28513	100.0
478.28653	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94038	0.3
55.01869	0.5
55.05510	2.8
57.03431	1.4
57.07066	0.9
62.58824	0.2
63.02368	0.3
65.03927	0.3
67.05505	3.5
69.07065	2.3
70.23167	0.2
71.04996	0.3
71.56857	0.4
79.05501	3.9
81.07057	3.7
82.07416	0.4
83.05001	0.7
83.08631	2.1
89.03913	5.2
91.05486	2.3
93.07053	3.0
95.04960	1.1
95.08580	1.9
97.06532	0.4
97.10179	0.6
101.72530	0.3
105.07020	1.2
107.04953	1.7
107.08586	1.3
108.73862	0.2
109.10152	0.7
111.04518	0.3
111.08092	0.5
117.03384	5.7
117.07012	0.7
119.08527	0.6
121.10134	1.0
123.11666	0.5
131.08577	0.5
133.10141	1.0
135.04416	12.6
135.11674	0.7
145.02850	9.1
145.03993	0.6
145.10092	0.5
147.11681	0.5
148.81299	0.3
149.13251	0.6
163.03908	100.0
164.04263	1.3
171.11700	0.3
181.04970	1.2
186.05573	0.4
227.12846	0.3
237.07661	0.3
253.14275	0.6
291.73071	0.3
459.27789	0.3
477.15298	0.3
477.28510	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	477.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55818	0.3
52.97474	0.3
53.03946	0.6
55.01864	0.5
55.05515	3.5
57.03440	2.0
57.07078	2.8
58.07407	0.8
61.02930	2.5
63.02385	0.4
63.03345	0.4
63.56050	0.3
67.05518	2.7
69.03429	1.2
69.07075	2.8
70.82648	0.9
71.08627	2.1
72.08957	0.3
73.02929	1.5
79.05492	1.5
81.03439	0.4
81.07069	2.4
83.08624	2.0
84.08965	0.6
85.02900	1.9
85.10179	0.7
86.03242	0.7
89.03917	5.6
89.79144	0.3
91.03968	1.0
91.05471	1.0
93.07045	1.3
95.08599	2.4
96.08953	0.6
97.02897	1.9
97.06514	0.5
97.10170	1.1
98.03217	0.5
99.04442	0.5
105.06974	0.3
107.08601	0.6
107.85997	0.4
109.10168	1.3
117.03389	17.1
119.75084	0.3
121.10143	1.1
123.11733	0.4
127.03903	0.7
134.03685	1.3
135.04408	1.0
137.44640	0.3
141.85233	0.3
143.77638	0.3
145.02858	45.3
149.05991	6.7
162.03105	0.4
163.03932	1.8
165.95125	0.3
177.05481	100.0
178.05806	1.5
186.05484	1.2
195.06650	1.7
240.23924	0.6
251.09183	0.5
260.71283	0.4
313.27280	1.0
314.27591	1.8
315.28015	2.5
459.31891	0.5
477.27695	2.4
485.35782	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61090	1.1
53.03939	3.5
55.01871	2.4
55.05508	15.2
56.76856	1.1
57.03437	2.3
57.07081	2.3
59.04998	3.4
67.05507	11.3
68.99795	1.5
69.03429	18.0
69.07068	7.3
71.04996	6.5
71.11655	2.3
79.05483	2.6
81.03423	9.3
81.07059	11.4
83.04978	22.2
83.08618	14.1
85.02900	15.2
85.06554	7.6
87.00828	6.6
89.06012	1.1
91.05476	2.2
93.07053	7.8
95.04967	3.6
95.08602	10.7
97.02882	3.8
97.10176	2.5
99.04462	3.7
99.08070	6.1
101.06046	2.1
105.01865	3.3
105.07027	4.1
107.08601	13.9
109.02889	6.1
109.10156	42.3
111.08081	3.1
113.06042	1.3
113.09670	1.1
115.07551	1.2
119.08564	6.2
120.08932	1.2
121.10148	6.5
123.11713	18.0
125.09628	8.6
127.03935	8.7
127.11185	14.4
133.10147	7.0
134.10503	3.2
135.11681	11.5
136.12024	1.7
137.09605	2.4
145.04977	2.7
147.11707	2.1
149.13275	5.7
151.11171	5.6
153.12718	1.3
159.02907	3.3
165.09120	3.8
166.09438	2.5
167.14302	16.1
169.12254	28.7
175.14850	9.1
176.15140	2.7
185.15399	12.2
193.15891	12.9
194.16284	2.6
209.15195	1.5
211.16936	76.7
212.17297	2.8
220.86563	1.1
229.17990	100.0
230.18558	2.2
253.17986	1.3
267.52798	1.5
309.84723	1.2
349.60486	1.3
356.76544	1.2
441.27008	1.4
459.21893	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	11.4
62.60279	8.1
63.52261	9.7
67.05497	21.3
69.03423	23.2
69.07077	12.2
70.69714	20.2
70.70085	20.5
71.04993	14.9
81.03428	20.0
81.07026	13.3
85.02916	56.7
87.00815	14.6
91.05486	13.9
93.07034	25.6
95.04956	10.9
95.08606	14.5
97.02866	11.5
99.08080	16.4
102.58120	9.0
105.01900	10.5
105.07040	17.9
107.08595	35.0
109.10146	38.0
119.08558	26.0
121.10158	12.6
125.09605	11.2
127.03907	32.5
128.48445	10.2
133.10133	59.8
135.11702	91.8
139.11162	10.3
145.04994	11.5
151.11053	12.4
175.14836	66.1
193.15904	100.0
211.16954	62.6
229.17975	39.5
315.08798	15.9
351.07397	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	477.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	10.8
57.03413	6.8
62.67564	6.6
67.05506	19.6
69.03426	33.1
70.60365	15.6
70.60764	15.7
70.97034	7.0
71.04993	11.3
79.05486	8.4
81.03412	18.4
81.07055	27.8
83.04975	10.2
83.08632	10.0
85.02901	45.7
85.06561	10.4
87.00821	26.1
91.05498	8.2
93.07043	30.8
95.04979	8.6
95.08587	13.3
97.02862	12.4
98.52575	7.4
99.04462	13.6
99.08087	14.3
101.08422	6.3
105.01877	17.8
105.07019	13.6
107.08594	34.5
109.02853	10.3
109.10168	32.5
111.08136	6.9
119.08588	27.7
121.10172	12.7
123.11694	17.1
125.09667	10.6
127.03918	18.8
127.07565	6.6
133.10138	58.0
135.11703	75.1
137.09578	8.6
138.09183	7.2
151.11150	8.3
175.14835	70.9
193.15898	100.0
209.15431	6.5
211.16985	65.0
218.12419	8.2
229.18053	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.8
55.05293	1.8
55.05515	18.5
56.18805	1.7
57.03431	2.9
57.07076	3.1
59.05006	2.5
61.02923	2.1
67.05508	14.7
69.03429	17.9
69.07066	9.1
69.54413	11.2
71.04978	7.1
79.05484	6.0
81.03418	9.4
81.07059	13.3
83.04980	25.3
83.08624	16.3
85.02898	18.7
85.06538	11.6
86.06061	1.9
87.00827	5.9
91.05466	4.8
93.07050	13.1
95.04960	6.6
95.08604	13.0
97.02897	4.8
97.06539	3.7
97.10168	5.2
99.04471	3.0
99.08083	6.3
101.06005	2.5
105.01894	2.2
105.07054	4.0
107.08608	13.4
109.02860	6.3
109.06539	2.8
109.09463	2.4
109.10162	42.0
111.08070	3.6
117.07028	1.8
119.08570	5.4
121.10137	8.0
123.11729	16.3
125.09669	10.0
127.03957	9.1
127.11221	15.3
133.10132	6.2
135.11687	10.5
137.09622	2.2
145.04980	2.0
147.11684	3.2
149.13268	7.4
151.11185	5.7
153.12770	2.6
157.10123	2.0
159.02853	2.7
167.07085	2.5
167.14299	11.4
169.12248	33.8
175.14865	4.4
185.15376	14.2
193.15851	10.2
209.15346	2.7
211.16940	79.5
229.18002	100.0
385.23373	3.0
459.21677	1.9
459.27615	3.5
477.28271	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	477.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78737	3.0
53.03959	4.9
55.01862	3.0
55.05507	6.2
63.40811	3.0
65.12299	3.4
67.05534	5.7
69.03428	7.9
69.07042	3.6
69.54688	18.4
81.03421	10.9
81.07050	4.0
83.04980	5.2
83.08617	4.7
85.02901	14.1
85.06567	4.8
87.00837	7.6
93.07078	3.5
95.04963	10.5
95.08572	5.1
97.02888	8.6
99.04465	2.9
105.03398	56.3
105.07024	4.3
107.08627	4.5
109.02886	4.1
109.10164	11.2
123.11716	7.2
125.09612	3.4
127.03952	8.6
127.11176	5.0
135.11789	3.9
145.04927	4.6
149.13286	3.1
151.03929	72.1
151.07552	4.9
151.87814	3.1
156.99432	2.9
165.09126	5.0
167.14343	5.4
169.12225	8.2
181.04999	3.7
211.16898	22.1
229.08617	100.0
229.18028	33.1
253.08687	3.7
254.48404	3.1
271.09668	3.6
319.09756	3.0
337.10635	4.5
363.96857	3.4
414.50909	3.1
417.76395	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	477.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.4
55.05508	4.4
67.05504	8.9
69.03430	13.1
69.07079	5.8
70.83640	8.4
70.84004	3.1
71.04978	2.9
71.18275	2.9
74.39237	2.5
77.66526	2.7
79.05512	3.3
81.03424	11.0
81.07057	8.7
85.02916	20.0
85.06567	7.0
87.00840	11.9
91.05495	3.8
93.07053	18.1
95.08606	18.1
97.02899	4.3
99.04433	4.2
99.08083	6.9
105.01862	13.1
105.07037	11.3
107.08611	23.6
109.02898	9.4
109.06570	4.1
109.10165	27.5
119.08578	25.8
119.82689	2.9
121.10143	12.4
123.08118	6.1
123.11707	8.7
125.09642	7.2
127.03942	13.8
133.10141	100.0
135.11700	64.7
137.09634	8.9
145.05063	4.8
149.13388	5.4
151.11203	5.6
151.14911	5.4
165.16446	4.9
175.14851	62.4
193.15906	72.2
197.32954	2.8
211.16959	23.6
217.25725	3.3
229.17998	60.7
231.05054	4.0
249.05615	3.0
340.80325	3.1
441.05936	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	476.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05000	1.6
53.03934	3.1
53.73376	1.4
55.05511	8.3
57.03415	4.9
62.05784	2.7
62.06091	44.9
62.19424	1.6
65.03938	1.6
67.05502	25.5
69.07062	10.9
69.56095	7.0
69.56531	5.3
76.49672	1.7
79.05497	27.8
81.06586	1.8
81.07059	29.3
83.08616	6.3
85.06536	2.2
85.10177	2.0
88.65026	1.6
91.05480	20.1
93.07049	32.0
94.61939	1.5
95.04980	4.7
95.08613	19.9
98.06041	3.4
98.98471	11.4
105.07005	5.7
107.08603	13.8
109.10139	4.8
111.08076	2.5
117.07045	2.4
119.08579	7.1
121.10149	11.9
123.11651	2.6
124.01559	1.9
124.20600	1.8
125.19505	1.8
131.08565	6.2
133.10114	4.5
135.11716	6.2
142.02612	1.9
145.10124	4.0
155.01089	2.2
159.11768	2.7
161.13290	2.6
163.14784	7.8
173.02095	2.0
198.05321	4.2
216.06322	5.3
243.21085	9.1
252.53546	1.7
261.22061	7.7
304.26337	13.1
327.13620	1.9
335.25800	100.0
415.22455	2.6
458.26657	3.5
469.54431	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.8
55.05520	7.8
55.20856	1.2
57.03431	5.3
61.23619	1.2
62.06094	35.1
67.05172	1.7
67.05509	26.4
69.07069	12.3
70.58392	2.6
70.58763	2.5
79.05502	21.2
81.07066	24.7
83.08631	3.3
91.05490	11.8
92.16640	1.4
93.07058	20.4
95.04971	2.2
95.08622	18.5
97.06492	1.7
98.98451	9.3
105.07018	7.1
107.08593	11.2
109.06470	1.6
109.10184	6.5
119.08611	6.7
121.10129	8.6
123.11738	2.8
124.01646	2.5
131.08551	3.4
133.10123	4.3
135.11703	4.6
142.02647	2.4
145.10155	1.4
147.11679	3.7
149.13264	2.3
155.01106	3.5
159.11639	2.2
161.13232	2.0
173.02136	3.1
198.05215	2.1
215.17842	1.5
216.06372	6.0
218.36252	1.4
221.29709	1.5
232.58563	1.5
261.22147	6.1
304.26376	18.4
317.24930	2.2
335.25830	100.0
336.26086	2.2
358.16721	2.4
458.26440	3.8
476.28134	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
53.16948	0.6
55.01871	1.2
55.05502	2.3
57.03432	1.1
57.92341	0.6
61.02920	0.8
65.93994	0.6
67.05497	2.2
67.30223	0.7
69.03434	3.9
69.07063	2.5
70.91979	1.0
70.92313	1.3
71.04986	2.9
76.63397	0.6
79.05488	2.8
81.03415	3.6
81.07065	7.2
85.02911	9.4
86.22395	0.7
87.00835	3.7
91.05476	6.1
93.07053	11.6
95.04984	1.1
95.08609	6.7
97.02909	4.1
99.04445	1.8
99.08150	0.9
99.76984	0.7
100.06770	0.6
102.86110	0.6
105.01842	3.3
105.07035	9.2
105.13317	0.7
107.08601	22.7
109.02863	2.9
109.06502	1.2
109.10145	2.1
115.80756	0.6
119.08587	28.3
121.10137	2.1
123.08075	0.8
123.11722	3.9
127.03909	6.8
131.08617	0.9
133.10135	60.5
135.11696	65.7
135.72696	0.7
136.12041	1.1
137.09604	2.3
145.04967	2.8
145.10133	0.8
147.11676	4.9
151.07559	2.7
152.07872	1.6
159.02898	2.5
165.09132	1.4
173.13362	1.1
175.14830	100.0
176.15178	1.3
178.67476	0.7
192.11000	0.7
193.15887	77.5
194.16273	1.4
211.16939	25.4
212.17181	0.7
218.37766	0.7
223.21547	0.7
231.04961	1.1
251.17973	0.7
273.18286	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98302	2.2
53.03947	2.5
54.47189	1.9
55.01860	4.6
55.05516	8.9
55.36285	2.1
57.02652	1.9
57.07072	2.5
59.05008	2.6
67.05513	19.3
69.03434	7.3
69.07069	9.4
69.64425	12.1
69.75413	2.2
69.97065	2.0
70.95839	2.3
71.04991	9.2
72.83215	2.5
79.05498	14.5
79.70432	2.2
81.03406	12.2
81.07061	22.5
83.05003	4.7
83.08620	5.9
85.02923	13.0
85.06545	15.1
86.06087	4.5
87.00832	7.6
91.03979	2.3
91.05477	9.6
93.07056	19.3
95.04967	5.9
95.08614	21.2
96.08949	2.6
97.02902	6.6
97.06536	3.5
97.10146	4.5
99.04463	28.6
99.07472	4.7
99.08099	65.9
100.04809	5.7
105.01884	3.3
105.07032	14.1
106.07356	2.0
107.08607	24.1
108.08916	4.4
109.02875	8.1
109.06521	7.0
109.10170	20.7
111.08067	3.7
113.09618	3.4
117.07043	3.9
119.08607	19.8
120.08931	3.5
121.10151	10.1
123.08086	6.5
123.11707	5.4
125.09611	2.6
126.11617	2.0
127.03929	6.5
128.04227	2.9
131.08606	3.5
133.10141	24.6
134.10518	3.1
135.11713	18.5
137.09612	7.2
145.04964	3.8
145.10201	3.6
147.11790	2.9
149.13297	7.6
151.07599	3.5
151.11244	4.4
152.07939	2.6
163.11235	3.1
165.09145	13.2
166.09451	8.2
167.07071	4.3
167.10736	2.6
170.12607	2.2
173.13216	2.5
175.14856	19.3
177.16498	5.6
183.13809	4.6
184.14146	5.0
189.08989	2.4
193.15895	100.0
193.17665	5.0
205.15858	3.0
210.15576	2.8
211.17036	11.2
227.16385	14.4
228.16777	17.6
231.04897	3.0
477.24414	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	476.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89610	0.9
53.03945	1.8
53.31939	1.0
55.01861	1.2
55.05508	1.2
69.03437	4.2
69.07064	2.3
71.05001	2.6
71.11809	1.9
79.05481	1.7
81.03417	6.4
81.07060	7.4
85.02910	16.4
87.00848	5.1
91.05486	3.2
93.07036	5.3
95.08617	11.6
97.02891	5.5
99.04475	2.7
99.08094	3.9
101.60610	1.4
104.45554	1.1
105.01882	9.0
105.07023	9.7
107.08612	9.1
109.02894	3.4
109.10160	2.2
110.84134	1.1
113.09658	1.2
117.07016	1.6
119.08593	47.9
123.11719	5.4
127.03906	8.5
131.08658	1.1
133.10141	93.4
134.10434	1.7
135.11694	15.3
145.04985	4.1
145.10150	1.1
147.11665	1.7
159.02942	2.4
162.82050	1.1
173.13277	1.2
175.14838	100.0
187.99301	1.1
193.15894	23.8
193.81294	1.0
211.16939	23.9
231.04982	1.7
475.04437	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	7.5
57.03442	5.1
58.02298	3.1
60.04509	2.6
61.02911	3.2
69.03423	12.9
70.06562	3.4
71.55893	3.7
73.02923	6.1
81.03407	6.4
85.02908	43.5
91.05489	10.6
95.04997	4.7
96.29774	3.0
97.02896	9.3
109.02882	5.8
119.04945	42.9
121.02820	3.2
122.27911	2.9
123.04444	44.9
127.03928	10.4
133.06493	9.8
141.06979	6.0
145.04961	9.7
145.06485	29.2
147.04420	65.0
149.05942	2.8
155.03442	5.3
157.06532	7.2
157.47800	3.0
159.04314	3.4
159.08072	9.8
161.06021	16.5
165.05479	42.5
169.06468	8.3
171.04443	13.0
171.08028	8.1
173.05994	18.9
175.03926	3.9
181.06493	3.9
185.06073	7.4
187.07515	16.4
189.05502	14.7
190.58698	3.2
191.07043	3.3
197.05992	46.3
199.07594	13.8
201.05460	12.2
203.06958	3.3
207.06503	3.3
212.35759	2.9
215.07034	86.8
215.13643	2.7
217.04874	3.8
219.06564	9.8
231.06529	7.6
233.08089	14.7
235.06107	4.4
243.06560	100.0
249.07527	18.0
251.09132	7.3
261.07599	56.4
279.08649	24.8
331.35226	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	476.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00865	2.9
55.01868	8.3
56.96561	3.5
57.03454	3.3
61.02930	5.8
64.31008	3.3
69.03437	17.0
71.55785	4.1
73.02933	6.0
81.03429	6.5
85.02914	82.7
91.05510	5.5
95.01347	9.7
95.04972	7.6
97.02900	19.6
98.97584	6.6
103.03947	3.2
107.04978	7.3
109.02869	4.8
115.05449	4.0
117.07021	4.2
119.04973	26.5
121.02938	3.3
121.06528	8.9
123.04455	49.0
127.03946	14.5
131.04936	17.2
133.06566	14.7
135.04489	3.2
145.05002	15.4
145.06503	74.2
147.04428	72.0
148.04793	3.0
149.05989	8.8
157.06532	6.4
159.04454	10.5
159.08102	10.3
161.06012	14.2
163.03961	6.5
165.05504	32.8
169.06438	5.8
171.04440	8.2
171.08089	7.3
173.06006	77.2
175.03963	7.3
177.05499	12.1
185.04465	3.9
185.06000	6.8
187.07536	13.7
187.10905	2.8
189.05519	16.1
191.07059	22.4
197.06007	37.3
199.07616	14.0
201.05508	34.9
215.07054	61.5
219.06549	100.0
220.07007	3.1
225.42998	3.0
231.06688	4.4
233.08168	10.7
237.07568	11.1
243.06575	81.5
249.07689	5.2
261.07623	84.3
261.10406	4.4
279.08655	44.2
344.74911	3.6
420.81094	3.5
439.06113	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
55.01868	0.8
55.05511	3.0
57.07074	0.7
64.36665	0.3
65.03933	0.5
67.05164	0.6
67.05509	9.2
67.61044	0.4
68.99842	0.4
69.03420	1.1
69.07066	3.0
69.91941	1.4
69.92345	0.9
71.05000	0.6
71.06577	0.4
79.05493	2.9
80.94456	0.3
81.03419	1.5
81.07063	8.0
83.04998	2.2
83.08633	1.2
85.02905	0.6
85.06539	0.5
91.05489	3.0
93.07054	3.4
95.04974	6.3
95.08614	6.9
97.06546	3.4
97.10194	1.8
97.10779	0.3
99.04443	0.4
103.05466	0.4
104.26068	0.4
105.07034	2.4
107.04958	1.1
107.08595	3.8
109.02889	1.8
109.06504	1.3
109.10168	7.6
111.04449	0.5
111.08085	0.6
111.11717	0.6
117.07003	0.5
119.08588	4.6
121.06512	1.2
121.10155	2.4
122.07281	1.8
123.08072	1.5
123.11706	2.3
125.05976	0.9
125.09642	0.7
127.07575	0.4
129.06972	0.8
131.08566	1.2
133.10127	1.6
135.08049	1.0
135.11702	1.8
135.14717	0.4
137.09627	11.1
137.13269	1.0
139.07603	0.5
141.06996	0.5
145.06418	0.5
145.10139	1.1
147.04462	0.5
147.08090	0.6
147.11703	1.3
149.09637	2.6
149.13261	1.1
151.07561	2.5
151.11220	0.6
151.14882	0.5
153.05516	0.5
153.07106	0.4
153.09087	0.5
155.08521	0.5
159.11688	0.9
161.06001	0.5
161.09634	0.7
161.13237	0.6
163.11168	0.8
163.14772	0.6
165.09126	100.0
166.09505	0.7
167.07042	3.2
171.08037	0.6
171.11647	0.6
173.06064	0.5
173.09644	0.6
173.13347	0.6
175.07550	0.6
175.11208	1.3
177.09146	1.5
177.16461	0.6
179.10701	1.1
181.06517	0.5
183.08069	0.5
185.13232	0.4
187.07542	0.8
189.09140	1.0
190.09836	0.4
191.10695	1.0
193.08556	0.7
193.12163	0.5
196.13887	0.4
197.06021	0.6
197.09697	0.5
199.07610	0.6
201.12787	0.7
203.10747	0.5
205.12254	4.5
215.06993	0.7
225.09145	0.5
227.07109	0.4
243.10216	0.5
261.11304	0.4
267.13913	0.7
293.11710	0.6
305.10303	0.6
305.24771	0.7
311.12845	1.2
313.14496	0.8
323.25836	0.8
327.15479	0.4
337.14307	1.2
355.15369	2.5
383.22037	0.6
429.33676	1.1
439.27881	0.4
457.25500	1.1
457.33810	0.7
471.46609	0.5
475.26941	1.5
475.34534	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
55.01868	0.8
55.05511	3.0
57.07074	0.7
64.36665	0.3
65.03933	0.5
67.05164	0.6
67.05509	9.2
67.61044	0.4
68.99842	0.4
69.03420	1.1
69.07066	3.0
69.91941	1.4
69.92345	0.9
71.05000	0.6
71.06577	0.4
79.05493	2.9
80.94456	0.3
81.03419	1.5
81.07063	8.0
83.04998	2.2
83.08633	1.2
85.02905	0.6
85.06539	0.5
91.05489	3.0
93.07054	3.4
95.04974	6.3
95.08614	6.9
97.06546	3.4
97.10194	1.8
97.10779	0.3
99.04443	0.4
103.05466	0.4
104.26068	0.4
105.07034	2.4
107.04958	1.1
107.08595	3.8
109.02889	1.8
109.06504	1.3
109.10168	7.6
111.04449	0.5
111.08085	0.6
111.11717	0.6
117.07003	0.5
119.08588	4.6
121.06512	1.2
121.10155	2.4
122.07281	1.8
123.08072	1.5
123.11706	2.3
125.05976	0.9
125.09642	0.7
127.07575	0.4
129.06972	0.8
131.08566	1.2
133.10127	1.6
135.08049	1.0
135.11702	1.8
135.14717	0.4
137.09627	11.1
137.13269	1.0
139.07603	0.5
141.06996	0.5
145.06418	0.5
145.10139	1.1
147.04462	0.5
147.08090	0.6
147.11703	1.3
149.09637	2.6
149.13261	1.1
151.07561	2.5
151.11220	0.6
151.14882	0.5
153.05516	0.5
153.07106	0.4
153.09087	0.5
155.08521	0.5
159.11688	0.9
161.06001	0.5
161.09634	0.7
161.13237	0.6
163.11168	0.8
163.14772	0.6
165.09126	100.0
166.09505	0.7
167.07042	3.2
171.08037	0.6
171.11647	0.6
173.06064	0.5
173.09644	0.6
173.13347	0.6
175.07550	0.6
175.11208	1.3
177.09146	1.5
177.16461	0.6
179.10701	1.1
181.06517	0.5
183.08069	0.5
185.13232	0.4
187.07542	0.8
189.09140	1.0
190.09836	0.4
191.10695	1.0
193.08556	0.7
193.12163	0.5
196.13887	0.4
197.06021	0.6
197.09697	0.5
199.07610	0.6
201.12787	0.7
203.10747	0.5
205.12254	4.5
215.06993	0.7
225.09145	0.5
227.07109	0.4
243.10216	0.5
261.11304	0.4
267.13913	0.7
293.11710	0.6
305.10303	0.6
305.24771	0.7
311.12845	1.2
313.14496	0.8
323.25836	0.8
327.15479	0.4
337.14307	1.2
355.15369	2.5
383.22037	0.6
429.33676	1.1
439.27881	0.4
457.25500	1.1
457.33810	0.7
471.46609	0.5
475.26941	1.5
475.34534	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	18.2
55.01875	8.0
55.05509	20.9
57.03439	52.2
57.07081	95.7
58.06606	17.1
59.07386	6.7
60.06535	3.1
61.02933	18.8
67.05505	42.2
69.03432	56.6
69.07067	25.8
69.63097	24.8
71.04993	20.7
71.08634	61.7
73.02916	12.3
75.04485	7.1
79.05501	14.7
81.03421	93.7
81.07063	53.6
83.04982	6.4
83.08626	35.0
85.02916	61.3
85.06531	5.1
85.10184	36.6
87.04459	13.5
91.03966	14.0
91.05481	17.9
93.07045	12.3
95.04978	5.2
95.08610	65.8
97.02896	50.5
97.10191	17.6
99.04465	35.1
101.02366	3.8
103.03947	47.7
105.06379	4.4
105.07031	8.8
106.13626	4.3
107.08589	7.3
109.02888	67.0
109.10155	24.7
111.04494	4.7
117.05521	4.9
119.04969	17.0
121.06519	12.3
121.10129	8.1
123.11720	15.4
127.03920	85.3
129.05501	7.8
133.10132	11.3
137.13234	6.5
145.04921	8.6
145.10121	5.8
147.04416	90.2
159.06537	5.5
171.06590	7.3
183.06531	23.5
201.07585	11.3
221.22743	5.8
222.93379	3.2
236.14961	29.3
237.15308	20.5
239.23769	45.8
313.27350	100.0
383.27969	77.7
457.31503	7.0
457.37177	13.5
475.32501	16.3
475.38901	46.2
492.06735	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
55.01877	0.7
55.05517	2.4
55.44348	0.3
57.03431	0.4
57.07066	0.6
65.03934	0.4
65.83623	0.4
67.05511	7.6
68.80016	0.4
69.03425	1.5
69.07069	2.6
71.05000	0.6
71.14835	0.8
79.05489	2.7
81.03422	1.1
81.07059	7.6
81.77999	0.4
83.04973	1.6
83.08600	1.0
84.66270	0.4
85.02910	0.8
85.06543	0.5
91.05498	2.6
93.07044	3.1
95.04980	1.7
95.08613	7.6
97.06542	2.1
97.10191	1.8
99.08086	0.8
101.42835	0.3
105.07035	2.4
107.04935	0.5
107.08593	2.7
109.02882	0.8
109.06526	1.1
109.10164	7.6
111.04437	0.4
111.11671	0.5
115.03967	0.4
117.07050	1.0
119.08572	4.2
121.06501	1.1
121.10177	2.0
122.07263	2.0
123.08063	1.1
123.11703	1.7
125.05978	1.0
125.09621	0.9
127.03924	0.7
129.07004	0.6
131.08563	0.9
133.10146	1.5
135.08078	1.2
135.11732	1.2
137.06000	0.9
137.09630	11.9
137.13260	0.7
139.07507	0.5
142.14606	0.4
143.08560	0.7
145.10115	1.1
147.04332	0.4
147.08060	0.6
147.11691	1.3
149.05957	0.6
149.09598	2.4
149.13242	0.9
151.07571	2.3
151.11176	0.5
151.14818	0.7
153.09164	0.4
157.10185	0.4
159.08075	0.6
159.11697	0.8
161.09564	0.3
161.13280	0.5
163.07521	0.5
163.11169	0.8
165.09125	100.0
166.09474	1.2
167.07024	2.0
171.11710	0.5
173.09645	0.6
173.13263	0.6
175.11209	0.3
175.14806	0.6
177.09117	1.3
177.12726	0.5
177.16364	0.5
179.10693	0.5
185.09575	0.5
185.13271	0.7
187.11179	0.7
187.14879	0.4
189.09084	0.7
189.12746	0.5
191.10674	1.4
191.14346	0.4
193.05188	0.4
193.08652	0.6
193.12285	0.5
203.14453	0.5
205.12250	4.4
209.15402	0.4
209.19032	0.5
228.04781	0.6
305.24585	0.5
323.25754	0.6
334.81198	0.4
411.24969	0.4
429.25626	0.4
439.24643	0.6
457.25519	0.9
457.33154	1.0
475.26010	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21576	0.2
51.25299	0.2
53.03943	0.5
55.05511	1.5
57.07055	0.2
63.51548	0.2
67.05511	4.1
69.03439	0.6
69.07069	0.9
71.01331	0.7
71.04990	0.6
79.05494	0.8
79.08237	0.2
80.65745	0.3
81.06583	0.3
81.07063	6.6
83.04980	0.7
83.08605	0.8
85.02913	0.6
85.06547	0.6
87.04457	0.3
91.05479	1.1
93.07061	2.0
95.04970	1.1
95.08613	3.9
97.06546	0.3
97.10213	0.3
99.04438	0.6
99.08103	3.5
105.07044	1.1
107.04924	0.3
107.08592	1.2
109.06551	0.4
109.10172	5.5
111.08091	0.7
115.07588	0.8
117.06995	0.3
119.08595	2.9
121.06538	0.4
121.10155	0.8
122.07298	2.0
123.08089	0.9
123.11710	3.2
125.06041	0.4
127.03913	0.4
127.07568	0.8
131.08582	0.6
133.10150	1.6
135.08092	0.3
135.11703	0.6
137.09630	11.5
137.13205	0.3
141.09103	1.0
143.07069	1.0
147.08067	0.4
147.11719	0.3
149.09630	1.2
149.13300	0.6
151.07559	4.3
153.09157	0.5
159.10292	0.4
159.11664	0.4
161.09657	0.3
163.14780	0.5
165.09126	100.0
166.09482	1.4
173.08160	0.3
173.13237	0.6
175.11223	0.9
177.09091	0.4
179.10570	0.3
180.56773	0.2
189.12775	0.5
191.10675	0.6
191.14340	0.9
201.12784	0.3
203.10619	0.4
205.12280	1.1
209.15344	1.4
227.16379	0.3
251.16470	0.4
258.69669	0.3
305.21091	0.4
323.22296	0.9
323.92471	0.2
457.29495	0.4
475.30936	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	2.3
51.97528	1.5
52.59029	1.5
53.03954	10.8
55.01865	4.8
55.05513	26.6
57.03429	5.9
57.07061	3.8
57.90631	1.3
59.04990	1.8
65.03932	6.4
67.05508	91.9
69.03446	1.3
69.07069	27.3
70.19870	6.1
71.04987	6.1
71.08605	1.4
77.03928	2.5
79.05496	100.0
81.03416	9.4
81.07061	98.1
83.04973	17.6
83.08619	14.5
85.06541	4.3
91.04897	2.6
91.05482	73.4
93.07048	96.1
95.04974	25.3
95.08611	34.8
97.06534	11.6
97.10174	3.4
99.08067	3.4
103.05515	2.1
105.04489	2.7
105.06384	3.0
105.07040	42.5
107.04967	8.4
107.08600	39.8
109.06526	5.8
109.10138	6.3
111.08064	7.6
115.05431	1.9
117.07017	13.4
119.08589	23.8
121.06547	2.8
121.10157	15.4
123.08077	5.1
127.07591	3.1
128.06233	4.3
129.07019	13.7
130.07776	1.5
131.08574	9.4
133.10124	13.7
135.08034	3.3
135.11703	6.1
143.08553	9.1
145.10132	10.8
147.08035	2.8
147.11696	33.3
147.12796	3.0
149.13271	25.3
156.09334	2.0
159.11687	8.7
161.09682	3.9
161.13268	12.4
171.11717	25.0
177.12746	4.9
189.12692	9.2
195.13832	9.0
207.13812	28.3
209.13362	1.9
225.14867	5.2
251.16536	1.9
256.22836	1.6
257.08420	1.8
348.03610	1.5
457.29248	1.7
475.30545	68.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83264	0.2
53.03942	0.5
55.01864	0.4
55.05510	1.3
57.03433	0.4
57.07060	0.4
59.24611	0.2
65.03918	0.3
67.05510	4.7
69.03415	0.8
69.07072	1.4
71.04984	0.5
71.31699	0.2
71.36055	0.3
79.05503	1.1
81.03407	0.4
81.07059	6.9
83.04974	0.7
83.08606	0.8
85.02897	0.9
85.06564	0.5
87.00803	0.3
87.04446	0.3
90.98193	0.2
91.05493	1.4
93.07052	1.9
95.04978	1.7
95.08614	5.3
97.06521	0.7
97.10174	0.3
99.04451	0.8
99.08091	3.8
105.01854	0.5
105.07056	1.2
107.04947	0.4
107.08594	1.4
109.06552	0.7
109.10162	6.4
111.04557	0.2
111.08076	0.7
115.07567	0.9
116.02777	0.2
117.07029	0.5
119.08577	3.6
121.06493	0.4
121.10139	1.1
122.07305	1.8
123.08096	1.2
123.11711	3.3
125.05956	0.2
125.09642	0.3
127.03896	0.4
127.07593	0.8
129.09079	0.4
131.08586	0.4
133.10144	2.2
135.08057	0.7
135.11696	0.6
137.09622	12.6
138.09920	0.4
139.07550	0.2
139.11115	0.2
141.09117	0.8
143.07037	1.1
145.10220	0.3
147.08047	0.2
147.11707	0.6
149.09607	1.7
149.13226	0.5
151.07550	3.1
151.11093	0.3
153.09093	0.6
157.10233	0.2
159.10147	0.5
159.11606	0.3
161.09621	0.2
161.13266	0.3
163.07594	0.2
163.14891	0.3
165.09120	100.0
166.09465	1.6
167.07108	0.3
169.12268	0.2
173.08093	0.4
173.13271	0.9
175.11208	0.9
175.14920	0.2
177.09163	0.3
187.09688	0.3
187.11325	0.3
189.09079	0.4
189.12782	0.4
191.10664	0.9
191.14281	1.2
192.14670	0.3
203.10681	0.7
203.14345	0.4
205.12259	1.0
209.15364	2.4
227.16483	0.6
236.37569	0.2
240.91245	0.2
277.21561	0.3
293.21167	0.3
305.21222	0.6
323.22186	0.9
413.35300	0.2
429.30145	0.3
457.29895	0.3
475.30774	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
55.01873	0.5
55.05301	0.2
55.05518	3.0
57.03440	1.5
57.07080	0.9
65.03944	0.8
67.05509	3.1
69.07076	2.4
69.99324	0.4
69.99699	0.4
71.04967	0.3
71.08646	0.5
79.05495	3.3
81.03419	0.3
81.07058	4.1
83.04995	0.6
83.08622	1.8
91.05486	10.9
93.07051	3.7
95.04974	1.1
95.08613	2.5
96.01466	0.2
97.06544	0.4
97.10171	0.7
105.07021	1.4
107.04942	0.7
107.08591	1.8
109.10155	1.2
111.00809	0.3
111.08087	0.3
117.07013	0.6
119.04953	20.2
119.08592	1.1
119.22219	0.2
121.09260	0.2
121.10131	1.3
123.04443	0.6
123.11748	0.4
129.07019	0.4
131.08592	0.9
133.10129	0.5
135.11725	0.9
139.03889	1.0
141.95827	0.3
145.10147	0.6
147.04419	100.0
147.11694	0.6
148.04752	0.7
149.13208	0.4
151.03966	0.4
157.10249	0.3
161.09558	0.3
161.13235	0.4
163.11220	0.5
165.05505	2.5
171.11655	0.4
177.05502	0.7
207.13855	0.4
221.07980	0.3
235.07066	0.3
235.27715	0.3
243.37257	0.3
265.17972	0.5
267.16052	0.3
277.18155	0.4
293.17557	1.2
319.22708	0.3
347.22229	0.3
373.23856	1.6
377.19620	0.7
431.24255	2.1
457.25800	3.3
475.20230	0.3
475.31238	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	475.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25231	1.2
51.02370	2.1
53.03959	11.7
55.01874	4.1
55.05514	26.5
57.03428	5.2
57.07062	3.2
61.70963	1.1
65.03943	7.5
67.05509	86.0
67.95777	1.3
69.03431	2.8
69.06723	1.5
69.07076	23.3
71.04982	6.2
71.56425	2.0
77.03927	1.5
77.09531	1.4
79.05499	96.7
81.03433	9.8
81.07061	100.0
83.04984	13.4
83.08635	16.7
85.06538	3.3
87.74270	1.6
91.05486	68.5
93.07053	92.7
95.04972	25.5
95.08613	38.2
97.06529	9.7
97.10170	2.5
103.05455	2.0
105.04563	2.0
105.07040	43.4
107.04964	7.4
107.08600	36.6
109.06548	6.7
109.10156	7.4
111.08088	5.7
115.05479	1.7
117.07037	14.6
119.08577	21.1
121.06483	3.0
121.10152	17.3
123.08080	5.6
123.11710	1.9
128.06244	3.4
129.07022	13.3
131.08588	10.8
133.10146	15.6
135.11684	6.9
141.09064	1.5
143.08557	6.1
145.10121	9.3
147.08130	2.4
147.11697	34.9
149.13268	22.3
151.11176	1.8
154.29828	1.2
159.11729	10.9
161.09628	5.5
161.13263	10.2
163.11200	1.4
171.11685	24.9
173.65031	1.6
177.12791	4.5
189.12787	11.5
195.13805	8.9
207.13828	31.9
225.14912	4.8
269.17410	1.8
382.06891	1.4
475.30539	78.4
476.31183	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64535	1.1
51.02365	1.8
52.15667	1.3
53.03948	13.4
55.01871	5.2
55.05259	2.3
55.05514	30.7
57.03432	5.6
57.07074	3.1
65.03942	7.4
67.05508	93.3
67.48016	1.4
68.99780	3.0
69.07074	28.5
69.23880	8.9
69.24306	4.5
71.04984	5.9
73.06561	1.4
79.05499	97.0
81.03419	10.6
81.07062	100.0
83.04993	14.4
83.08619	17.3
85.02932	1.3
85.06537	4.9
91.05486	73.9
93.07051	93.4
95.04971	24.9
95.08610	38.6
97.06534	12.8
97.10158	4.5
99.08101	3.1
105.04531	2.6
105.07035	36.1
107.04940	6.8
107.08600	37.7
109.02871	2.0
109.06522	7.3
109.10178	7.0
111.00819	3.2
111.08083	7.4
117.07011	13.8
119.08581	23.0
121.06489	4.0
121.10143	18.7
123.08056	7.6
123.11725	1.4
127.03922	51.3
127.07567	2.4
128.06203	2.9
129.07010	16.8
131.08560	10.7
133.06453	1.3
133.10130	16.2
135.08011	2.1
135.11707	10.8
137.09639	1.6
139.03964	1.7
143.08566	8.8
145.10091	6.7
147.08095	1.7
147.11700	33.2
149.13268	26.1
157.10184	1.3
159.11691	11.8
161.09630	4.4
161.13280	11.9
163.11147	2.1
165.08978	1.4
167.07068	1.8
171.11690	26.3
177.12749	5.8
179.14355	2.1
189.12727	11.2
195.13794	7.5
207.13815	31.6
223.13324	1.4
225.14977	4.1
235.05711	1.2
269.17416	1.4
279.19690	1.6
281.17606	1.7
307.19077	11.1
321.20465	3.0
349.20071	24.2
460.94904	1.6
475.30560	66.6
476.30826	3.8
502.34875	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.2
55.05513	1.9
57.03439	1.4
57.07079	1.2
58.06601	1.7
59.01267	0.1
59.06923	0.2
59.07380	0.6
59.77713	0.2
60.08165	0.2
65.03931	0.9
66.76723	0.2
67.05506	1.4
69.07072	2.3
69.23845	1.6
71.08627	0.4
79.05499	0.6
81.06634	0.2
81.07067	1.7
83.08631	1.4
85.02883	0.2
85.10143	0.2
88.87401	0.1
91.05481	8.1
92.80692	0.2
93.07043	1.0
95.04946	0.1
95.08618	1.0
97.06530	0.2
97.10171	0.8
98.21494	0.4
105.07047	0.2
107.08581	0.5
109.10139	0.3
119.04946	21.2
119.37999	0.2
121.10145	0.5
135.11716	0.4
144.10181	0.3
147.04411	100.0
148.04729	1.0
165.05458	1.8
185.05971	0.2
186.66295	0.2
219.21112	0.2
221.07994	0.2
236.14943	3.0
237.15273	1.8
273.91214	0.2
329.26938	0.2
361.86172	0.2
457.37143	1.3
475.30380	5.8
475.37976	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	475.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	2.2
53.03938	9.4
55.01863	4.1
55.05264	1.7
55.05516	27.3
55.31530	1.2
57.03441	7.1
57.07065	2.1
60.06495	1.2
65.03934	5.0
67.05508	91.2
69.07073	28.0
70.45709	4.9
71.04987	4.9
73.06545	1.7
77.03920	1.6
79.05499	100.0
80.05823	1.5
81.03423	10.3
81.07062	94.2
83.04987	15.5
83.08624	17.2
85.06540	5.5
89.48084	1.2
91.05487	70.0
93.07052	90.3
95.04980	23.4
95.08614	41.6
97.06538	13.2
97.10159	5.2
99.08090	4.5
103.11793	1.3
105.04544	1.6
105.07040	44.1
107.05005	6.5
107.08606	36.7
109.06538	8.6
109.10136	6.5
111.08092	9.1
115.05441	1.8
117.07043	14.8
119.04956	3.9
119.08585	28.5
121.06535	3.9
121.10139	16.0
123.08060	5.8
123.11728	2.6
125.09657	1.7
127.07586	1.9
128.06207	3.0
129.07016	14.3
131.08589	12.2
133.06477	1.8
133.10124	15.5
135.08028	3.0
135.11751	6.8
142.07716	1.5
143.08546	7.6
145.10118	9.6
147.04420	21.6
147.08141	1.8
147.11699	30.9
149.13272	23.7
155.08594	2.3
159.11713	12.3
161.09628	2.6
161.13271	13.9
168.43370	1.5
171.11714	21.6
177.12766	4.9
189.12753	11.4
195.13861	6.1
207.13808	28.7
225.14891	3.9
241.02701	1.6
269.17535	2.2
383.25613	1.7
387.08987	1.7
475.30591	70.3
476.30725	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	1.8
57.03452	1.2
57.07062	0.6
63.18676	0.2
65.03934	0.7
67.05505	1.1
69.07075	1.9
70.17450	0.9
71.08633	0.3
72.48353	0.2
79.05490	0.4
81.07069	1.2
83.08616	0.8
84.98451	0.2
91.05490	7.2
91.06067	0.4
93.07063	0.7
94.92204	0.2
95.08624	0.8
97.02238	0.2
97.06509	0.2
97.10158	0.6
98.21409	0.2
107.08601	0.5
111.11724	0.3
119.04955	18.3
121.10179	0.4
135.11731	0.4
147.04419	100.0
148.04764	0.9
165.05501	2.5
165.70068	0.2
221.08185	0.3
344.87601	0.2
475.30566	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	475.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.2
55.05517	1.6
57.03425	1.1
57.07066	0.9
57.41099	0.2
61.02914	0.4
65.03938	1.1
67.05501	1.2
69.07074	1.5
69.29164	0.3
69.36885	2.2
70.27698	0.2
71.08630	0.4
79.05500	0.3
81.07066	1.1
83.08611	0.9
90.51171	0.2
91.03970	0.2
91.05483	9.2
93.07053	0.5
95.08607	0.9
97.06539	0.3
97.10163	0.5
98.21434	0.5
107.08599	0.5
109.10155	0.3
119.04949	21.5
121.10133	0.5
135.11638	0.3
139.76807	0.3
141.03677	0.2
147.04416	100.0
147.73373	0.2
148.04735	1.1
156.40625	0.2
165.05487	2.0
185.06091	0.3
185.92030	0.2
196.47684	0.3
206.82489	0.3
237.22163	0.2
311.26093	0.3
473.50525	0.2
475.30457	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	475.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.8
54.48933	3.3
55.01866	3.3
55.05506	7.5
60.39909	2.9
65.22379	3.3
67.05490	8.8
67.25341	3.5
69.03439	20.1
69.07072	6.1
69.44939	24.7
71.04970	10.8
79.05490	5.5
79.08769	3.4
81.03419	11.6
81.07042	15.1
82.09764	3.1
83.04973	3.3
83.08607	4.3
85.02928	25.4
85.06549	7.1
87.00835	6.5
91.05480	5.6
93.07051	18.1
95.04974	100.0
95.08611	14.4
97.02901	9.8
97.06513	7.7
99.04453	32.4
99.08083	4.8
105.01863	10.4
105.07054	17.4
107.08620	15.8
109.02879	7.2
109.06522	8.7
109.10152	28.0
111.08065	4.0
119.08572	12.7
121.10145	11.0
121.65073	3.5
123.08082	5.5
123.11707	9.5
125.09645	3.3
126.09970	3.9
127.03897	16.8
131.08549	9.1
133.10138	52.1
135.08047	8.1
135.11659	6.7
145.04990	5.4
145.10139	5.2
147.11690	4.7
149.09683	4.2
149.13254	4.0
151.07565	31.8
151.11298	7.7
153.09106	36.5
157.06517	3.5
159.11760	3.6
163.11195	3.4
165.09064	10.3
167.06978	5.6
168.13853	5.2
169.12256	7.0
173.13283	32.0
174.13654	4.8
175.14807	3.4
191.10718	4.4
191.14328	48.7
192.14690	8.7
209.15392	90.1
210.15749	8.7
219.51418	3.1
227.16379	14.7
261.12491	3.4
307.07040	3.5
475.15591	6.1
475.21933	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34051	3.6
52.08480	3.7
57.81150	3.9
60.99099	3.6
67.05511	7.7
67.43942	3.8
69.03419	7.6
71.04987	9.7
71.08302	9.3
77.18985	4.2
81.03423	8.0
81.07069	6.0
85.02897	25.0
85.06557	10.0
87.00820	9.5
93.07057	11.7
95.04978	75.4
97.02912	6.9
97.06522	4.1
99.04454	25.9
99.08103	9.4
105.01898	5.6
105.07039	15.2
107.08623	9.2
109.02901	6.5
109.06493	4.6
109.10141	31.2
115.07639	4.8
121.10133	4.8
123.11703	16.5
127.03943	5.8
128.35510	4.1
131.08540	7.9
133.10130	75.6
135.08044	6.1
145.05000	5.6
149.13274	7.5
151.11159	14.7
153.09094	34.5
169.12245	13.1
173.13264	27.4
191.14337	49.0
209.15390	100.0
227.16473	12.6
231.04874	4.4
468.73141	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	474.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	5.2
57.03429	9.1
57.06832	3.4
57.07085	44.6
58.12889	2.1
67.05509	16.7
69.07070	8.1
71.08643	17.2
79.05489	4.0
81.07071	19.0
83.08615	8.2
83.99126	2.2
85.10185	12.2
95.08611	17.0
97.10172	2.7
105.07059	2.5
109.10171	8.5
119.08563	2.9
121.10158	2.9
123.11743	3.9
145.03398	2.3
147.11647	3.6
174.03151	8.6
183.10187	4.6
229.53876	3.0
239.23735	2.8
250.06319	45.8
251.04759	8.2
285.24304	6.3
306.12558	26.7
307.11148	2.8
313.27386	100.0
362.18866	42.6
363.17255	9.8
418.25037	26.0
439.34494	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95563	1.9
55.01875	2.2
55.05492	3.1
56.96822	1.8
57.03439	2.4
61.67698	1.8
67.05499	2.8
69.03428	6.7
69.07062	3.3
69.27211	2.3
69.68414	13.2
71.04996	11.8
73.36508	2.0
77.91893	2.1
79.05470	2.4
81.03417	7.5
81.07056	6.0
83.08565	2.0
83.26113	1.8
85.02908	16.9
85.06538	3.2
87.00835	6.3
93.07039	6.8
95.04979	90.6
97.02899	8.3
99.04465	36.7
99.08097	2.2
105.01857	4.4
105.07027	6.4
107.04969	3.3
107.08593	7.5
109.02848	4.0
109.06540	4.3
109.10149	10.8
115.07558	3.3
119.08582	3.3
121.10143	5.5
122.79356	2.3
123.08145	2.3
123.11728	3.1
127.03898	9.0
127.07557	2.2
131.08566	3.1
133.10127	25.8
135.08032	2.7
137.34593	2.1
139.11171	2.6
145.04927	2.1
149.13277	4.1
151.11217	5.6
153.09113	36.7
158.64253	1.9
165.09123	2.6
166.75070	2.0
173.13300	10.4
191.14345	19.6
209.15382	100.0
227.16408	18.6
383.72681	1.9
429.93085	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.4
55.05495	1.2
56.05016	0.4
57.03443	5.7
57.07080	9.2
58.06606	39.7
59.07387	11.3
60.08170	10.7
67.05505	2.6
69.07043	1.6
70.02805	1.2
71.08634	4.9
73.02910	0.8
75.04491	2.8
79.05499	0.6
81.07063	2.8
83.08620	2.2
84.08125	0.6
85.02910	1.8
85.06509	0.5
85.10188	2.6
87.03991	0.5
87.04476	4.6
91.05457	1.2
92.08889	0.5
93.05519	0.4
93.49255	0.3
95.08608	3.3
97.10183	0.6
102.05528	0.5
103.03957	0.5
105.05511	0.9
109.10130	1.3
113.05982	1.1
119.04942	2.5
131.07016	1.6
144.09129	0.7
144.10207	10.1
147.04427	11.1
149.13368	0.3
154.69545	0.4
162.10118	0.4
162.11293	1.7
200.12813	0.7
218.13953	1.1
225.73416	0.4
236.14944	93.2
237.15294	0.4
251.51564	0.4
275.97495	0.4
313.27393	1.6
369.30005	0.6
412.37930	1.1
456.36877	27.1
457.37210	0.7
474.37943	100.0
475.31323	0.8
475.38321	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	474.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.6
55.01878	3.3
55.05507	5.6
57.03432	4.0
57.07077	3.8
61.02937	3.4
63.11312	1.5
67.05505	6.6
68.99763	2.7
69.03436	28.2
69.07079	7.7
70.52503	3.3
71.05013	4.4
73.02920	5.4
77.78487	1.5
79.05497	6.0
81.03432	16.4
81.07072	12.3
83.04982	2.5
83.08615	2.3
85.02909	36.7
86.20942	1.5
87.00838	12.5
91.05486	26.1
93.07037	11.8
95.04973	5.2
95.08624	10.5
95.30410	1.4
95.48359	1.7
97.02900	18.8
97.06525	2.9
99.04456	6.4
103.05460	1.6
105.01870	11.4
105.07033	23.1
107.08601	26.0
109.02893	10.8
109.06513	2.9
109.10158	4.7
115.03960	2.6
115.05462	1.8
116.02027	1.6
116.06223	3.2
117.07019	8.4
119.08585	35.2
121.06505	6.3
121.10155	21.6
123.08089	2.3
123.11740	2.8
127.03932	20.8
129.07008	10.9
130.07762	3.9
131.08580	76.7
133.10150	27.3
135.08038	6.1
135.11751	8.4
135.12617	1.6
137.09598	3.3
141.07030	1.8
142.07738	1.8
143.08563	24.0
144.09309	5.3
145.04967	7.1
145.10129	31.3
147.11717	13.7
149.09641	6.6
149.13300	10.9
151.07549	2.0
156.09338	3.3
157.10110	3.6
158.10931	23.8
159.02902	5.0
159.11678	5.6
161.09654	2.7
163.14810	8.8
165.09143	12.1
166.09483	2.8
169.10155	2.3
171.11710	5.6
173.13275	100.0
174.13651	2.2
175.14841	21.0
184.36995	1.8
185.13193	2.9
189.03886	2.8
189.12701	5.1
191.14310	61.8
197.13197	2.2
201.12773	2.2
203.14398	2.0
209.13414	2.3
209.15378	28.9
213.12723	1.9
215.14378	2.7
231.04926	4.2
231.13844	2.1
233.15321	3.3
249.05493	1.9
259.20554	1.9
297.67014	1.9
299.16339	3.4
329.19867	2.2
354.98474	1.6
403.17639	3.0
421.18729	4.2
456.22809	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.4
55.01865	2.0
55.05513	2.2
56.00326	0.8
57.07066	1.0
63.67591	0.8
65.03934	0.8
66.82346	0.8
67.05501	2.7
69.03448	5.3
69.07052	1.7
71.04987	1.9
71.08127	1.5
71.08447	1.3
73.02907	1.0
76.60036	0.8
79.05487	3.9
81.03418	3.7
81.07062	4.3
83.04951	1.1
83.08598	1.0
85.02900	7.6
85.06541	1.0
87.00829	3.1
90.49355	0.9
91.05486	14.9
93.07065	4.8
93.07539	0.9
95.05013	1.3
95.08611	2.7
97.02876	2.8
99.04478	1.8
99.08082	1.2
105.01864	2.7
105.06384	1.4
105.07043	19.5
107.08617	5.2
109.02874	3.0
109.06515	1.2
109.10113	1.2
116.06244	2.7
116.10757	1.3
117.07067	4.4
119.08585	23.2
121.10165	5.9
123.08044	0.9
123.11724	1.1
127.03922	5.0
128.06238	2.6
129.07019	7.7
130.07780	2.9
131.08591	28.1
133.10124	7.5
135.08067	1.3
135.11745	1.0
137.09630	1.1
143.08582	20.9
144.09363	5.0
145.04929	1.8
145.10121	17.4
147.11697	21.0
149.13289	1.9
151.07553	1.9
156.09280	1.9
157.10126	1.4
157.42770	0.9
158.10930	20.5
159.11688	1.0
165.09108	4.3
166.09473	2.8
171.11725	1.0
173.13278	100.0
174.13536	1.7
175.14816	2.5
191.14320	15.6
209.15392	3.0
217.09758	1.2
227.16472	1.5
231.04843	1.1
235.10770	8.1
259.10785	1.5
287.10278	1.7
305.11249	4.3
357.03394	1.0
474.21991	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	473.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.01872	1.2
55.05511	4.3
57.03464	0.5
57.07077	0.7
59.04976	0.6
63.77835	0.5
63.83564	0.4
65.03933	0.5
67.05235	0.4
67.05512	5.3
69.03416	1.6
69.07075	3.2
71.04981	0.8
71.56956	0.8
77.84160	0.4
79.05497	2.6
79.85307	0.4
81.03403	1.3
81.07069	6.2
83.04982	1.1
83.08614	1.6
85.02888	1.6
91.05466	2.3
93.07046	3.9
95.04967	1.4
95.08609	6.4
97.06545	0.8
97.10172	5.7
101.06013	0.5
105.01845	0.6
105.07044	3.2
107.08582	3.5
108.05709	0.4
109.02861	1.1
109.06547	2.3
109.10162	7.6
110.06855	0.6
115.39249	0.4
117.07000	0.5
119.08586	5.2
121.06550	0.6
121.10151	2.9
122.07306	1.7
123.08064	1.7
123.11710	1.1
125.05966	0.6
125.09642	1.1
127.03903	1.6
127.81539	0.5
131.08549	1.0
133.10124	1.9
135.08112	0.6
135.11684	1.7
137.05977	0.9
137.08661	0.8
137.09630	12.5
137.13257	0.9
143.10675	1.6
145.10121	1.5
147.04422	0.7
147.08051	0.8
147.11710	1.3
149.02351	0.7
149.09610	4.3
149.13255	1.9
151.07506	1.4
151.11249	1.0
153.05368	0.4
157.10115	0.7
159.11723	1.5
161.09637	0.7
161.13234	1.2
163.11249	0.5
165.09123	100.0
167.07047	1.2
171.11696	0.7
173.09589	0.7
173.13286	0.7
174.10493	0.7
175.11195	2.8
175.14757	0.7
177.09097	0.8
177.16454	0.6
179.10706	0.6
187.11261	0.8
187.14882	0.6
189.09090	0.7
189.11292	0.8
189.12787	3.1
189.16350	0.8
190.13025	1.1
191.01910	0.5
203.10675	1.1
203.14307	1.8
205.12311	0.9
211.17111	0.8
252.20187	0.5
270.57343	0.5
293.24738	0.5
321.24252	2.0
368.73755	0.5
427.31992	0.7
455.31735	1.3
466.59348	0.5
473.32037	0.6
473.36969	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.6
55.05498	1.7
67.05499	3.3
69.03428	2.3
69.07051	5.4
70.22769	6.4
71.05008	14.4
77.03931	1.6
79.05486	3.4
79.57821	1.7
81.07037	6.9
83.08596	4.5
85.02902	3.8
85.06557	8.5
87.00829	2.0
91.05475	4.9
93.07053	10.9
95.04970	3.1
95.08623	11.4
97.06539	17.3
105.01830	2.5
105.07050	12.3
107.08600	19.1
109.06509	4.6
109.10191	2.8
111.08090	4.6
115.73292	1.7
119.08606	8.9
121.10140	30.1
127.03948	2.5
131.08546	7.2
133.10139	99.3
134.10475	2.3
135.08089	13.3
143.08574	3.1
145.10101	4.6
147.11711	16.6
149.09688	2.0
149.13263	14.4
158.10887	3.4
165.09102	10.6
166.09439	3.8
166.29405	1.7
173.13263	31.2
191.14317	100.0
192.14580	2.1
225.73206	1.7
312.47769	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.6
54.37035	0.4
55.05517	4.0
55.19532	0.3
57.08536	0.3
65.03948	3.1
67.05507	5.3
69.03429	1.1
69.07076	2.2
69.41891	0.9
69.42286	2.8
73.91552	0.4
77.03917	0.5
79.05486	2.0
81.03436	0.7
81.07062	6.0
83.04976	1.3
83.08595	0.6
85.02908	1.3
85.06556	0.5
91.05482	2.5
93.07043	3.3
95.04955	1.2
95.08616	4.9
97.02899	0.4
97.06524	0.8
97.09643	0.5
97.10184	6.5
98.21467	0.6
105.07062	2.0
107.04973	0.7
107.08609	3.2
109.06503	1.0
109.10161	7.8
111.04441	0.6
111.08076	0.7
113.11517	0.5
117.07002	0.8
119.08582	4.6
121.02856	1.3
121.06489	0.5
121.09310	0.4
121.10140	1.6
122.07291	1.9
123.08058	0.9
123.11706	2.3
125.05970	0.4
125.09618	1.1
127.03847	0.6
129.07021	0.6
131.08578	0.6
133.10110	2.1
135.08029	0.9
135.11671	1.6
137.06009	0.5
137.09628	11.4
139.03897	1.6
139.11163	0.7
143.10716	2.0
145.06435	0.5
145.10153	1.2
147.04414	1.3
147.08054	0.7
147.11694	1.5
149.02367	25.1
149.03461	2.1
149.09622	5.3
149.13275	0.7
151.07564	2.2
153.09079	0.5
157.12314	0.5
159.11742	1.0
161.09648	0.5
161.13304	0.7
163.11205	0.5
163.14850	1.1
165.09126	100.0
166.09456	1.5
167.07037	1.2
173.09581	0.8
173.13283	0.8
175.04027	0.7
175.11188	1.5
177.09067	0.8
179.10661	0.4
187.11270	0.6
189.09138	0.5
189.12761	1.5
191.10622	0.8
193.04970	6.6
197.13300	0.6
201.12788	0.7
203.10751	1.0
203.14389	1.1
205.12241	1.5
219.06578	0.6
229.15958	0.4
263.09198	0.5
303.23309	1.0
321.24445	0.6
341.06610	0.8
374.31512	0.4
385.09064	0.8
387.10739	0.5
403.10190	3.8
429.11853	4.9
455.31265	2.0
473.14493	14.4
474.14874	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79063	3.0
53.03935	7.0
55.01858	8.4
55.05299	2.8
55.05513	28.4
56.25044	2.9
57.03230	2.5
57.03441	28.3
57.07084	18.1
58.87211	3.1
61.02652	3.9
61.02934	75.1
67.05509	44.3
69.03436	32.6
69.06724	3.6
69.07069	43.4
71.01353	4.1
71.04988	3.9
71.08635	6.7
73.02930	31.1
79.05507	28.7
81.03420	26.7
81.07062	56.5
83.04983	6.8
83.08624	48.0
85.02419	4.9
85.02906	67.3
85.10194	4.4
91.03959	44.8
91.05486	11.6
93.07056	25.7
94.92859	3.6
95.04971	5.8
95.08617	37.2
97.02901	59.4
97.06559	7.8
97.10155	16.9
99.04456	10.7
101.02383	19.3
103.03934	6.3
105.07020	5.7
107.08588	13.0
109.02906	16.1
109.10159	17.1
111.08067	6.1
111.11703	4.1
115.03936	9.6
117.05444	3.2
119.08572	4.3
121.10153	41.2
123.11715	14.6
127.03924	27.3
129.05438	5.2
135.11716	27.2
137.13251	12.1
139.11255	6.5
145.04951	15.5
147.11707	3.6
149.13246	6.5
157.10280	3.8
159.06479	4.2
159.11655	3.6
163.03917	7.7
163.14888	5.1
183.06502	5.8
201.07541	4.2
219.21094	23.5
237.22150	34.5
311.22250	5.6
311.25821	100.0
437.29697	3.7
455.29660	4.7
473.31281	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	473.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.5
55.01868	7.2
55.05518	37.0
57.03440	20.1
57.07084	13.3
57.45039	2.6
61.02932	56.0
67.05511	13.5
69.03439	26.2
69.07072	43.8
71.01366	5.0
71.04993	4.8
71.08652	13.4
73.02923	28.6
75.04488	3.7
79.05480	11.4
81.03426	19.6
81.07057	16.6
83.04983	5.5
83.08622	38.8
85.02904	50.4
86.92149	2.4
87.04477	5.3
91.03957	37.7
91.05500	6.7
92.17685	2.5
93.07044	11.9
95.05022	2.2
95.08614	10.0
97.02897	57.8
97.06530	5.6
97.10174	34.9
99.04457	9.7
101.02396	12.1
103.03939	8.8
105.07052	4.6
107.08600	5.7
107.89945	2.3
109.02876	10.8
109.10168	2.8
111.04465	3.9
111.11707	12.3
115.03930	6.1
119.08675	2.5
121.10156	10.8
123.11717	4.1
125.13261	3.1
127.03941	24.3
129.05482	6.7
131.08553	2.7
134.98320	2.1
135.11711	10.0
145.04988	11.1
149.13312	2.7
183.06580	2.8
184.93184	2.2
201.07613	5.7
219.08678	2.9
219.21135	9.0
237.22136	23.7
311.25824	100.0
339.25165	4.6
382.85748	2.8
405.85397	2.7
455.30261	3.3
473.31018	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	473.2512
Annotation	Akiferidinin
Peak:m/z	Relative Intensity
55.05534	1.6
55.38452	1.2
57.42673	1.1
61.02928	1.7
63.45122	1.3
67.05486	4.5
69.03398	1.5
69.07071	1.9
71.17470	1.6
71.17802	1.7
79.05486	3.0
79.54430	1.4
81.03443	1.6
81.07070	6.3
83.08614	2.4
91.05482	3.5
93.07035	2.5
95.08595	3.2
105.07032	3.2
107.08588	2.6
109.10155	2.9
110.95569	1.2
117.07031	1.6
119.08588	3.0
123.11772	1.4
125.02326	1.7
127.03982	1.5
133.10179	2.9
135.11716	1.8
300.12961	1.3
473.25110	100.0
474.25131	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	473.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.2
53.03960	9.1
55.01864	5.2
55.05516	17.4
57.03431	3.6
59.05000	1.1
61.63012	1.1
65.03933	3.3
66.49191	1.2
67.05511	59.8
69.03432	4.2
69.07073	12.9
70.16571	2.0
70.16972	2.6
71.04987	3.7
79.05500	72.7
81.03424	100.0
81.07061	44.5
83.04978	14.3
83.08627	23.2
85.06551	3.8
87.58604	1.2
91.05492	67.6
93.07052	52.9
95.04359	2.0
95.04973	39.5
95.08612	29.1
97.02901	2.7
97.06534	4.1
97.10180	5.7
98.20788	1.3
99.08120	1.3
103.05512	2.4
105.04512	1.9
105.07043	48.6
107.04961	14.0
107.08604	15.7
109.06531	7.0
109.10168	4.5
111.08087	8.0
115.05473	3.6
117.07030	11.3
119.05000	2.2
119.07786	2.2
119.08595	34.5
121.06535	5.9
121.10161	10.0
123.08067	8.7
123.11748	1.8
125.09613	2.6
127.07585	1.7
128.06221	4.2
129.07014	24.6
131.08604	14.6
133.06519	4.6
133.10133	10.9
135.08086	1.4
135.11707	2.2
137.09581	2.3
141.07010	1.9
141.09090	1.5
142.07791	3.7
143.08562	9.4
145.06497	2.2
145.10147	10.0
147.04427	1.7
147.08083	7.1
147.09111	1.2
147.11694	34.7
149.09592	6.5
151.07593	3.9
155.08609	1.7
156.09383	1.4
157.10144	9.8
159.11765	2.7
160.83435	1.2
161.09644	5.1
161.13232	9.9
163.11171	1.9
165.09145	4.3
165.12769	2.1
169.10117	2.0
171.08102	2.3
171.11691	21.5
173.13258	1.3
175.11208	10.2
185.13220	1.6
189.11307	1.3
189.12776	6.8
193.12262	28.5
205.12332	1.4
207.13823	23.0
213.12689	1.3
225.14938	2.0
229.15976	1.3
236.65900	1.4
249.14832	5.6
253.18425	1.4
275.93964	1.3
279.12173	1.2
281.17441	2.3
283.16840	1.3
363.23151	2.4
381.24182	3.2
399.25714	1.8
455.27878	3.5
473.29022	76.8
474.29437	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	9.3
55.01866	9.0
57.03436	12.3
57.97457	4.8
61.02929	7.6
67.05498	8.1
69.03445	30.1
71.04963	8.1
71.56165	7.0
72.53859	5.8
73.02919	7.3
79.05482	5.8
81.03418	23.0
81.07041	4.8
85.02902	66.1
85.06532	8.3
87.00832	28.8
91.05491	7.8
92.15686	4.5
93.07040	13.8
95.04952	9.2
95.08611	23.8
97.02326	4.9
97.02877	27.5
98.97569	6.1
99.04435	7.2
101.06027	4.9
105.01852	30.2
105.07043	21.3
107.08582	11.3
109.02878	18.8
109.10166	11.0
117.62574	5.0
119.08598	17.5
121.06561	5.4
121.10152	37.4
123.08100	11.0
123.11734	12.6
127.03918	47.6
131.08635	9.8
133.10153	10.5
134.35008	5.6
135.11693	5.5
137.09612	14.7
145.04958	10.8
147.11702	24.8
149.09616	100.0
149.10747	9.0
159.02994	4.5
161.13248	19.4
165.12776	11.7
171.11664	13.3
178.05022	15.6
179.05295	11.8
179.14305	8.2
189.12766	45.1
190.13181	7.4
191.14389	6.4
198.05913	6.7
207.13791	96.1
223.81418	4.7
225.14859	30.1
231.04912	5.2
231.79375	4.6
358.08243	7.2
407.63562	5.4
473.23547	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	473.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	9.3
55.01866	9.0
57.03436	12.3
57.97457	4.8
61.02929	7.6
67.05498	8.1
69.03445	30.1
71.04963	8.1
71.56165	7.0
72.53859	5.8
73.02919	7.3
79.05482	5.8
81.03418	23.0
81.07041	4.8
85.02902	66.1
85.06532	8.3
87.00832	28.8
91.05491	7.8
92.15686	4.5
93.07040	13.8
95.04952	9.2
95.08611	23.8
97.02326	4.9
97.02877	27.5
98.97569	6.1
99.04435	7.2
101.06027	4.9
105.01852	30.2
105.07043	21.3
107.08582	11.3
109.02878	18.8
109.10166	11.0
117.62574	5.0
119.08598	17.5
121.06561	5.4
121.10152	37.4
123.08100	11.0
123.11734	12.6
127.03918	47.6
131.08635	9.8
133.10153	10.5
134.35008	5.6
135.11693	5.5
137.09612	14.7
145.04958	10.8
147.11702	24.8
149.09616	100.0
149.10747	9.0
159.02994	4.5
161.13248	19.4
165.12776	11.7
171.11664	13.3
178.05022	15.6
179.05295	11.8
179.14305	8.2
189.12766	45.1
190.13181	7.4
191.14389	6.4
198.05913	6.7
207.13791	96.1
223.81418	4.7
225.14859	30.1
231.04912	5.2
231.79375	4.6
358.08243	7.2
407.63562	5.4
473.23547	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	473.202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36102	1.6
53.03942	3.6
55.01871	5.2
55.05495	3.2
57.03434	6.7
59.16750	1.6
59.30462	1.6
61.02916	4.5
67.05505	3.5
68.99787	3.8
69.03436	25.4
69.07065	2.2
69.82296	10.7
70.95878	1.8
71.04988	3.8
73.02931	3.3
79.05509	3.3
81.02980	2.1
81.03423	21.9
81.07065	4.6
83.04978	6.4
85.02421	3.4
85.02909	51.5
86.09700	2.7
87.00832	19.5
91.05474	3.7
93.07052	4.2
95.04958	3.9
95.08611	6.9
97.02895	19.6
97.06541	2.1
98.20753	3.3
99.04459	9.9
99.08082	4.8
105.01875	16.5
105.07046	6.9
107.08599	10.8
109.02873	21.5
109.06537	15.9
109.10138	2.2
111.04461	5.9
117.01858	3.4
119.04932	1.9
119.08573	6.2
121.06516	7.2
121.10158	7.9
122.82121	1.9
123.08082	100.0
123.11711	2.7
125.09655	3.0
127.03936	31.9
129.01813	3.1
131.08589	2.1
133.10106	4.2
135.11713	2.8
137.05983	16.1
137.09695	3.2
140.12314	1.9
144.46732	1.8
145.04988	12.5
145.10020	2.0
147.04401	3.6
147.08046	2.0
147.11697	6.2
149.09639	16.9
151.07570	8.5
151.11156	6.1
155.58176	1.9
158.93066	1.9
159.02896	8.7
161.05957	2.9
163.11174	6.8
165.09114	5.3
165.12743	2.0
167.10707	6.2
175.07593	4.4
181.12256	7.7
189.12759	6.0
191.10641	2.0
199.07574	3.5
205.12234	2.4
205.40704	1.9
207.13800	30.5
209.15703	1.8
219.07965	2.1
225.14874	37.4
231.05017	7.4
235.10779	27.3
257.15009	1.7
259.08032	1.9
259.10739	4.9
287.10281	5.2
291.09744	2.2
293.08133	1.8
305.11304	17.3
311.09467	3.9
311.12766	4.2
323.12646	2.6
356.18008	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.5
53.37200	1.3
54.23905	1.2
55.01866	4.9
55.05510	1.6
57.03425	2.9
61.02919	3.8
67.05511	6.6
68.63320	1.1
69.03429	16.3
69.07061	2.3
71.04977	2.3
73.02910	3.1
74.04195	1.2
74.39108	1.1
79.05489	5.6
81.03422	31.6
81.07067	7.6
83.08619	2.3
85.02913	40.9
86.09681	1.5
87.00838	17.0
91.05488	3.1
93.07040	4.0
95.04357	2.6
95.04975	50.3
95.08584	2.1
97.02903	12.7
97.25235	1.2
98.20611	2.4
99.04441	5.2
105.01875	24.7
105.06993	7.1
107.04929	1.4
107.08608	5.8
108.04496	2.1
109.02886	11.7
109.06529	100.0
109.10152	2.8
117.01859	2.6
117.06994	1.7
119.08576	5.3
121.10150	33.6
127.03933	25.0
131.08574	1.9
133.10150	2.1
135.08101	1.5
137.09695	1.5
143.08592	1.3
145.04964	10.5
145.10088	2.8
147.04488	2.0
147.08070	3.6
149.09695	1.3
151.07460	1.4
158.75323	1.4
159.02870	6.7
159.11633	1.5
160.08931	1.6
161.09674	1.7
165.09117	11.5
166.09474	1.9
189.03990	2.4
189.12759	53.5
201.12799	1.8
207.13858	3.2
229.60133	1.4
231.05014	9.4
231.13760	2.9
249.05960	3.0
249.14828	2.1
253.16010	1.4
318.86917	1.4
383.52814	1.2
419.16724	2.1
446.29367	1.2
472.20764	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.3
55.01871	3.3
55.05516	5.3
55.93518	2.5
56.41190	2.3
61.02911	2.1
67.05499	8.3
69.03424	7.9
69.07059	9.2
71.04996	28.2
71.56355	2.8
71.56723	3.1
73.02908	2.4
78.01431	2.0
79.05492	7.8
81.03434	5.2
81.07069	14.6
83.04972	7.9
83.08611	2.4
85.02914	11.5
85.06542	11.2
88.11244	2.4
91.05476	11.5
93.07060	16.5
95.04996	12.9
95.08613	22.2
97.02885	4.7
97.06547	27.0
97.10193	2.7
99.03839	5.1
99.04465	100.0
99.08079	4.3
101.06034	21.1
105.07047	24.8
106.97757	2.2
107.08604	13.3
109.02876	2.7
109.06517	7.9
109.10155	16.0
110.10461	3.2
111.08093	3.7
114.21885	2.5
117.06992	3.5
119.08576	31.5
121.06519	3.0
121.10162	22.8
123.08034	3.9
123.11723	6.7
127.03923	3.5
131.08577	4.2
131.70436	2.8
132.09328	3.0
133.10170	22.7
135.08092	2.9
135.11671	4.4
136.07503	2.5
137.09619	12.9
143.08545	8.0
145.04987	4.7
145.10144	14.3
147.04472	3.1
147.11690	42.9
153.09068	8.8
155.10684	89.8
156.09335	3.0
157.10153	11.8
159.11688	12.2
162.06860	2.8
165.09119	33.3
165.12766	6.9
166.09364	4.1
169.10170	5.3
170.10831	2.8
171.11684	10.0
173.13232	8.8
175.11064	2.5
175.14839	24.9
183.11655	10.2
184.12384	5.5
187.14828	5.3
189.12701	2.8
193.15948	11.8
197.13272	10.6
199.14856	42.4
201.12793	5.8
203.03543	2.6
215.14261	3.5
217.15944	3.7
239.17928	24.5
257.19046	38.1
275.19989	19.3
293.21152	12.4
334.08316	5.8
472.22211	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	471.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87128	6.0
55.05265	5.8
55.05514	67.3
57.03432	5.5
57.07089	32.5
67.05501	24.5
69.07069	100.0
71.08624	22.1
71.18062	11.4
79.05487	26.3
79.34877	5.4
81.07071	48.1
82.75473	4.8
83.04964	7.1
83.08630	83.5
85.06545	6.0
85.10178	18.3
86.01749	5.3
93.07067	28.8
95.08624	48.8
97.06524	23.0
97.10172	86.9
99.08124	7.1
107.08598	34.1
109.10149	18.2
111.08077	11.5
111.11719	30.1
115.07565	6.7
121.10165	46.3
123.11697	8.8
125.09658	16.6
128.86807	5.0
129.09126	6.5
135.11667	30.5
139.11154	16.1
149.13225	8.1
153.12782	7.7
177.16402	86.9
181.62543	5.9
183.24628	5.9
195.17451	74.8
213.18504	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	472.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21548	0.5
52.25276	0.4
55.01868	2.0
67.05504	0.6
68.96619	0.5
70.18264	0.5
71.11929	1.3
81.07058	0.7
85.02914	0.7
85.06534	1.6
86.09708	1.9
87.09978	0.5
101.06033	0.9
106.06533	1.3
108.04478	1.2
110.06075	1.0
113.42922	0.5
114.80116	0.5
124.07618	1.0
134.06004	1.0
142.08644	1.0
148.07561	0.8
161.07050	0.9
162.05542	4.3
163.06285	0.6
163.11140	0.6
165.09077	0.8
170.08192	1.0
171.10236	0.5
176.07144	0.6
184.07661	0.5
185.10660	1.0
186.07854	0.8
187.08702	1.7
187.12401	0.6
189.06612	4.7
194.08232	0.9
198.09158	0.7
199.08694	0.9
201.10272	3.5
203.08099	2.7
207.13904	0.6
213.06628	0.6
213.10243	2.4
215.08243	6.9
215.11719	3.5
225.14870	0.7
226.10756	0.7
227.08124	1.0
228.08884	1.0
229.09752	9.4
229.13408	2.2
231.11177	1.3
239.11804	1.1
240.10323	0.5
241.09721	1.3
241.13490	0.7
243.11279	3.1
247.14346	0.6
254.10638	0.6
255.11446	0.8
257.09253	5.4
257.12845	6.3
259.10931	0.6
267.11258	2.4
269.09409	0.8
271.10751	2.7
275.13947	4.0
283.10587	0.8
285.12399	9.6
287.13770	0.8
295.10861	2.3
296.09583	0.6
303.13419	4.4
311.10236	3.7
313.11856	17.4
314.12009	0.9
315.13089	0.5
329.11414	6.4
331.12906	100.0
332.09756	0.5
332.13309	2.9
436.18649	3.5
453.33014	0.6
454.19806	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	471.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23422	1.9
53.03945	4.5
55.01864	6.8
55.05516	100.0
57.03453	16.4
57.07078	17.2
59.04998	3.3
61.02914	2.1
67.05510	45.1
69.03436	2.6
69.07076	77.8
69.37109	17.1
71.04984	5.9
71.08627	8.1
71.47466	1.9
73.02946	2.7
73.06549	2.7
79.05499	36.5
81.07067	90.5
82.33378	2.0
83.04990	5.8
83.08625	85.6
85.02953	2.1
85.06544	10.4
85.10177	4.6
91.05479	11.3
93.07056	47.6
95.04979	3.6
95.08616	61.6
97.02914	2.4
97.06547	28.9
97.10184	43.0
99.08108	6.0
100.84786	2.1
101.06004	4.9
105.07047	5.7
107.08605	50.1
109.10183	16.8
111.08086	19.2
111.11743	5.0
115.07603	3.9
119.08604	7.4
121.10159	55.5
121.11036	3.9
123.11705	8.7
125.09652	12.8
129.09207	3.7
131.08611	3.3
133.10089	4.6
135.11720	9.8
139.11176	6.2
139.14742	2.4
142.90211	2.0
143.10658	3.2
147.11700	2.8
149.13312	4.7
157.12114	2.0
159.11681	2.1
161.13225	3.1
163.14833	82.9
173.13263	2.2
177.16365	2.8
179.14301	2.5
181.15904	57.2
191.96306	1.9
199.16936	18.0
255.19519	18.1
261.22305	2.6
273.20609	6.5
329.82675	2.1
343.30167	4.5
361.31046	22.7
379.18451	2.0
379.32047	31.4
397.33029	5.6
437.13770	2.3
453.36057	14.7
470.81949	1.9
471.26712	6.7
471.37067	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	471.0903
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02179	1.2
51.74257	1.1
51.88065	1.3
53.03938	1.7
53.85531	1.1
55.05510	2.9
58.29320	1.3
60.41562	1.1
61.02911	1.3
67.05490	2.7
69.03418	3.8
69.07042	1.2
71.04984	3.4
71.56926	1.7
75.20639	1.2
79.05471	2.5
79.41021	1.2
81.03439	2.7
81.07054	2.6
83.04971	3.9
85.02928	8.0
85.06550	13.1
86.09734	2.2
91.05457	2.6
93.07032	2.7
95.04962	2.3
95.08607	2.4
95.28131	1.4
97.02861	1.6
100.11277	2.3
101.06038	8.0
105.07067	1.3
107.08611	3.3
109.02863	2.9
111.04413	1.7
119.08595	2.2
121.06499	2.7
121.10143	2.8
123.08089	2.2
127.03910	2.4
128.07104	1.3
135.07971	1.7
137.05939	2.1
142.64877	1.3
145.10072	1.6
149.09642	1.7
151.11208	1.3
163.11194	3.5
165.09131	1.6
169.04749	10.3
181.12254	2.8
182.15382	1.7
185.04202	4.7
198.14969	1.4
205.12279	2.6
210.14934	1.3
223.13383	5.8
226.14462	2.3
234.63799	1.3
273.18414	1.9
291.19580	5.1
308.03043	4.5
309.03726	7.2
309.20590	1.5
325.03217	57.3
326.03653	1.8
345.04581	1.8
361.04022	8.4
364.46301	1.3
366.05826	2.2
379.05017	2.1
399.05392	1.3
399.53949	1.4
453.18805	1.7
471.08948	100.0
471.19775	4.8
472.09378	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	471.156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92731	1.5
69.93134	7.1
75.68564	1.4
77.78151	1.2
98.97595	2.9
101.00890	6.1
110.97590	1.4
118.00267	2.5
119.00075	1.8
119.01945	16.5
121.01688	2.1
126.26281	1.4
131.01903	4.3
131.51982	2.1
132.01823	1.4
133.01642	1.9
133.03500	2.7
137.02979	1.6
139.50935	1.8
143.01913	6.4
145.00743	3.5
145.01735	3.5
145.03470	4.8
145.50821	4.5
146.00665	4.3
151.00723	2.0
155.01942	2.2
157.01816	1.4
157.03506	8.8
159.01430	1.8
160.01248	2.3
160.51282	2.3
161.01276	3.3
161.02980	10.3
163.02644	7.3
166.01366	2.1
167.01964	2.3
169.01866	2.0
171.04857	1.9
172.51425	1.9
173.02979	4.8
174.02965	1.9
175.03026	1.7
175.04544	5.7
181.01843	5.8
181.51952	5.5
182.01877	2.8
183.05032	1.4
185.02948	6.9
186.03230	1.7
187.02893	2.5
187.04495	2.7
188.01738	1.6
190.02477	1.8
190.52475	3.6
196.02394	1.9
197.02969	2.3
199.04431	2.1
201.06049	2.4
202.52589	1.5
203.04031	4.1
203.54028	1.7
204.03925	2.0
205.03722	2.3
209.02489	2.2
211.02989	2.8
211.52994	4.6
219.01730	1.8
232.03445	5.4
232.53563	7.6
233.03368	6.8
235.06616	6.0
245.05128	13.5
246.05453	2.7
247.04895	9.7
253.07779	2.1
253.68172	1.5
260.88995	1.5
261.02942	1.7
277.07712	100.0
278.07901	2.2
295.08820	11.1
365.09348	2.0
411.13477	5.4
451.11438	4.1
453.11475	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2976
Annotation	Gln-Leu-Leu-Pro
Peak:m/z	Relative Intensity
54.32973	0.4
58.07052	0.4
69.06736	0.6
69.07059	3.4
70.06590	4.5
78.26405	0.5
80.05037	0.7
83.06092	0.8
84.04514	6.2
85.06545	0.7
86.09710	100.0
94.77502	0.4
96.04499	0.5
97.98779	0.5
98.21539	0.7
101.07153	2.2
116.07104	15.5
124.03962	1.3
124.73808	0.5
129.06613	1.4
131.11813	24.1
147.04466	0.6
151.65944	0.5
152.10696	1.5
166.08635	0.9
169.13409	0.6
177.52307	0.4
177.72394	0.4
180.10184	0.4
196.14490	0.6
197.12865	1.7
208.09711	8.8
214.15503	2.2
220.14912	0.6
225.12349	8.2
229.15489	15.9
238.16080	1.9
238.66179	0.6
242.15004	61.2
243.15363	1.3
310.21603	0.6
338.21078	0.5
355.23413	13.1
372.73502	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.1
55.01873	3.5
55.05262	3.9
55.05516	58.9
57.03439	5.0
57.07082	85.8
57.22947	1.8
59.06121	2.4
67.05512	45.1
69.06721	3.9
69.07073	64.6
71.04984	4.7
71.08287	3.0
71.08643	47.0
71.48917	2.6
73.06566	3.2
79.05492	16.8
81.07066	52.8
83.04967	5.2
83.08627	66.5
85.06544	4.1
85.10194	28.4
89.06030	9.5
91.05453	4.4
93.07049	17.4
95.08616	100.0
97.06549	12.6
97.10179	29.3
97.30802	2.2
99.08095	4.0
101.06006	3.8
107.08604	14.7
109.10168	53.3
111.08083	13.1
111.11700	9.0
115.07567	4.2
121.10156	33.2
123.11735	13.7
125.09624	9.2
125.13179	2.7
127.29729	2.1
129.09120	3.1
133.10165	2.5
135.11700	14.7
137.13255	4.8
139.07549	2.3
139.11183	8.1
143.10797	2.4
153.12695	3.0
157.12297	3.3
163.28171	2.3
164.07246	2.1
165.16402	4.6
175.09669	7.9
177.14980	3.5
177.16396	37.4
183.17479	55.4
195.17482	33.8
201.18526	3.6
210.12683	2.6
213.18573	10.3
257.21106	18.5
263.16452	4.3
269.18234	3.6
269.21130	48.7
274.94714	2.2
275.73672	2.4
281.49371	2.2
302.11771	2.3
423.32974	3.3
441.33566	4.6
451.31616	3.5
451.37769	3.0
469.32913	47.2
469.38879	79.9
469.47003	3.6
470.39001	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	61.7
57.03432	17.8
57.07080	79.5
65.03929	4.3
65.17196	3.8
67.05515	53.0
69.07079	53.7
69.52702	20.9
71.08636	47.2
79.05498	18.4
81.07071	52.6
82.34705	3.5
83.04958	3.4
83.08624	44.0
85.06565	5.2
85.10194	27.5
87.17553	3.5
87.54417	3.6
89.06036	20.4
91.05476	5.9
93.07062	23.6
95.08615	95.9
97.06516	9.2
97.10178	27.5
99.08085	3.9
99.31735	3.3
103.07582	5.6
107.08610	10.7
109.10168	56.5
111.08113	7.2
121.10164	22.1
123.11717	11.3
133.08607	7.7
135.11713	12.0
165.16377	4.8
166.41446	3.3
177.16405	21.2
183.17462	100.0
195.17476	21.4
201.18558	9.9
213.18504	11.6
248.37816	3.9
257.21182	14.8
269.21188	10.0
433.78564	3.7
452.31152	4.0
469.32394	5.7
469.38956	82.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	8.3
54.90218	7.0
55.01866	12.8
55.05507	22.5
57.03437	25.3
61.02921	73.6
67.05502	88.7
69.03438	40.2
69.07062	15.0
71.17576	16.4
73.02905	35.2
79.05495	100.0
81.03416	36.6
81.07065	70.4
83.08626	10.4
84.85916	8.2
85.02912	75.9
91.03969	44.0
91.05477	54.1
93.07053	88.1
95.04973	18.0
95.08611	65.4
97.02909	60.6
99.04471	17.1
101.02396	11.2
103.03917	12.5
105.07063	40.0
105.75444	8.3
107.08602	36.7
109.02911	9.4
109.06549	12.1
109.10162	36.0
117.07045	16.6
119.08602	28.1
121.10132	58.3
123.04439	8.9
123.11775	10.5
127.03905	28.9
129.06964	8.0
131.08592	23.8
133.10135	39.8
135.11723	31.1
145.04987	9.5
145.10121	23.6
147.11659	19.8
149.13338	17.9
159.11739	16.8
161.09561	11.0
171.11716	12.7
215.18002	15.3
230.82687	8.2
232.02278	9.8
233.19066	10.5
307.22650	62.3
443.85175	10.2
469.27634	11.6
469.33527	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	469.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.2
55.05515	22.6
60.09317	4.0
67.05508	30.1
69.03138	4.4
69.03432	55.0
69.07056	20.5
70.77071	5.9
70.77383	6.6
71.04984	14.5
79.05499	31.4
81.03407	18.4
81.07059	100.0
83.04942	5.7
83.08610	10.8
85.02909	29.0
87.00829	9.0
88.41801	4.4
90.95776	4.4
91.05486	28.6
93.07039	66.8
95.04967	10.1
95.08613	45.7
97.02888	23.6
97.06501	5.5
97.10164	10.7
99.04460	10.1
105.07044	55.1
107.08602	71.0
109.02899	7.7
109.06516	4.5
109.10155	47.0
115.03909	8.3
119.08580	54.5
121.06519	5.1
121.10148	36.8
123.04430	5.2
123.08081	5.8
123.11708	40.5
127.03909	14.7
127.11238	5.1
131.08617	7.0
133.10126	43.8
135.11716	57.9
137.09604	5.2
137.13174	5.4
143.08578	6.4
145.10115	9.1
147.11697	39.3
149.13318	24.0
157.10144	7.6
159.11703	9.7
161.09685	7.3
161.13251	17.6
163.14746	5.8
165.09065	5.7
169.10161	6.4
171.11607	6.9
173.13293	5.8
175.14763	8.2
177.12825	5.6
185.13271	6.2
198.40681	4.7
203.14288	4.7
203.17979	32.6
221.19043	10.7
231.05054	9.7
240.76639	5.0
245.19009	5.7
329.21365	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	469.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78152	3.0
53.03944	10.8
55.01874	10.5
55.05520	25.4
57.03445	6.1
57.07064	9.9
61.02929	5.7
64.93214	2.7
67.05502	30.4
68.99795	7.4
69.03434	54.1
69.07063	28.8
69.48321	3.6
69.79133	3.1
71.02063	7.7
71.05000	31.7
71.31448	3.2
73.02917	6.9
79.05495	31.7
81.03416	30.2
81.07063	100.0
83.04984	11.3
83.08630	10.1
84.49718	3.2
85.02905	43.6
85.06532	7.4
87.00845	24.2
91.05479	29.6
92.25912	3.2
93.07054	67.3
95.04975	17.6
95.08611	66.7
97.02897	31.4
97.06541	7.5
97.10166	11.5
98.05054	3.0
99.04438	11.9
99.08115	5.1
103.03953	5.2
105.01881	13.3
105.07039	63.1
105.07735	2.2
107.04968	4.6
107.08605	60.1
109.02887	14.9
109.06538	12.0
109.08567	3.3
109.10158	61.7
111.04443	7.1
111.08154	3.7
115.03940	11.5
117.07020	13.0
119.08581	75.0
121.06492	10.5
121.10148	48.1
123.04423	9.1
123.08059	8.8
123.11707	31.0
125.09633	8.1
127.03951	15.1
127.11206	28.1
128.06241	6.3
128.48328	3.1
129.01804	4.8
129.06998	4.5
131.08592	26.0
133.06485	4.2
133.10132	46.4
135.08092	9.7
135.11694	44.3
137.09659	7.0
137.13246	12.1
141.07014	8.0
142.07794	7.6
143.08580	18.1
145.05000	4.9
145.06593	5.5
145.10136	35.6
146.94890	3.2
147.08044	11.1
147.11699	43.5
149.13239	26.4
149.54373	3.1
149.93298	3.5
151.11244	6.3
153.12746	14.6
155.08537	8.3
156.09222	5.1
157.10097	24.5
159.02892	6.6
159.08054	5.6
159.11691	35.0
161.09729	5.9
161.13268	16.9
163.11250	4.4
163.14890	4.5
165.09117	6.2
165.12811	4.3
169.10217	8.4
171.11667	16.8
173.09618	7.8
173.13289	14.3
175.11197	10.3
175.14857	9.3
177.12781	5.2
177.16417	7.0
181.10152	5.9
183.11711	13.6
185.09695	4.5
185.13255	8.0
187.11220	7.4
187.14899	4.9
189.09047	4.0
189.12733	5.2
189.16389	8.8
191.10619	4.1
191.18004	5.2
193.15874	10.4
197.13304	9.2
201.03943	6.2
201.12769	6.7
201.16394	10.3
203.17931	33.7
205.19547	6.6
207.11754	5.7
213.12779	4.8
215.14389	3.6
215.18042	4.1
219.17612	9.0
221.19012	14.0
225.12651	6.5
225.16292	3.5
227.17970	6.5
231.04980	4.5
231.17395	6.9
233.19081	7.3
243.13872	5.5
243.17526	4.9
245.19000	10.9
255.17712	4.1
259.17184	3.7
261.18524	3.4
263.19855	3.6
269.19083	4.5
287.19986	4.5
293.18942	5.3
296.71234	4.2
306.11716	7.2
311.20099	22.9
329.21161	12.0
415.20740	4.6
433.22208	4.7
434.41156	3.9
451.23215	9.2
469.17313	5.5
469.24231	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	469.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	2.8
52.94255	2.1
53.03935	11.2
55.01875	15.2
55.05509	33.6
57.03437	10.2
57.07068	9.0
59.05005	2.3
61.02932	15.1
65.03942	3.1
66.55717	2.3
67.05503	39.4
68.99802	14.7
69.03435	58.7
69.06719	3.4
69.07068	33.2
69.43325	19.8
71.01353	4.6
71.04990	39.0
73.02912	6.5
73.92362	2.2
79.05055	3.4
79.05496	32.1
79.47266	2.2
81.03425	44.4
81.07059	100.0
83.04977	10.7
83.08614	17.4
85.02910	65.8
85.06551	4.3
87.00838	34.6
91.05485	41.9
93.07049	63.1
95.04972	24.5
95.08611	78.6
97.02901	33.0
97.06532	9.7
97.10164	11.9
99.04461	11.3
99.08080	7.0
103.03941	7.9
103.05508	3.0
105.01864	16.0
105.07035	75.6
107.04955	9.3
107.08596	66.3
109.02883	28.4
109.06536	13.5
109.10161	75.4
111.04436	14.4
111.08084	5.2
111.11717	6.4
113.02357	2.4
113.09634	3.3
115.03920	19.6
115.05489	2.6
117.07037	18.8
119.08581	79.6
121.06512	15.6
121.10150	62.2
123.04436	17.3
123.08099	15.2
123.11697	39.5
125.05975	3.3
125.09668	8.8
127.03938	25.3
127.11202	29.7
128.06244	3.9
129.01836	13.0
129.05492	3.5
129.06996	14.5
130.07841	3.7
131.08577	32.1
133.06459	5.9
133.10133	48.3
135.04425	3.8
135.08069	11.0
135.11702	42.0
137.05983	9.4
137.09633	13.9
137.13258	12.2
139.07512	3.6
141.05492	4.0
141.06998	6.3
142.07765	9.3
143.08600	23.0
144.09361	3.8
145.04945	6.5
145.10126	45.0
146.10797	2.9
147.02931	8.3
147.08054	11.7
147.11691	45.6
149.09613	5.2
149.13257	27.7
151.07524	4.8
151.11185	6.4
153.12737	12.0
155.08586	9.6
156.09351	8.6
157.06500	2.7
157.10133	28.5
158.10880	3.2
159.02855	6.2
159.08063	9.8
159.11694	59.5
161.09624	9.9
161.13261	23.3
163.07552	5.6
163.11238	11.0
163.14864	6.6
165.09163	5.1
165.12720	4.9
167.08549	4.5
168.36839	2.7
169.10115	11.3
171.08078	6.3
171.11702	21.9
173.09650	6.9
173.13228	20.6
175.11195	10.1
175.14864	12.2
177.09081	3.7
177.12769	10.1
177.16365	8.1
179.08501	4.1
181.08643	3.0
181.10143	6.8
182.11018	3.3
183.11751	11.8
185.09618	8.3
185.13271	11.5
187.11201	8.2
187.14825	13.1
189.03963	10.5
189.09126	6.9
189.12744	10.9
189.16411	16.3
191.10722	4.2
191.14317	5.5
191.17937	6.2
192.09193	2.7
193.15907	2.9
193.19514	6.2
195.08130	2.9
195.11699	7.1
195.17354	3.2
197.13249	9.7
199.11089	5.2
199.14787	6.2
201.03926	9.4
201.12738	14.2
201.16386	20.5
203.10684	3.4
203.14429	3.8
203.17967	27.6
205.15927	4.8
205.19582	3.9
207.11711	11.9
209.13271	6.7
211.11201	2.9
211.14928	2.8
213.03931	3.7
213.12706	5.3
213.16341	9.0
215.14342	6.3
215.17973	7.9
217.12041	3.6
217.19543	3.1
219.04991	5.0
219.17415	16.3
221.19000	13.7
223.14781	5.7
225.12735	10.5
225.16408	3.9
227.14388	4.0
227.17966	8.0
229.15834	3.7
231.17476	8.6
233.18925	8.4
241.15793	2.9
243.13766	6.2
243.17426	7.6
245.18985	19.8
257.19012	6.7
259.17023	3.0
261.18484	4.3
263.20160	8.5
269.19019	4.9
275.20526	3.5
287.20102	8.2
293.18979	5.4
305.21167	3.8
311.20032	27.5
329.21066	19.7
337.45258	2.5
347.22003	5.8
389.23679	2.8
415.21039	9.2
433.22372	13.1
451.23389	21.7
469.24402	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91890	3.7
53.03942	10.7
55.01872	15.3
55.05514	30.7
56.94229	3.5
57.03435	12.8
57.07087	7.9
61.02920	9.6
65.03947	3.9
67.05508	38.9
68.99789	13.8
69.03436	49.7
69.07076	33.6
70.71945	10.3
70.72305	4.6
71.04991	29.9
73.02895	3.8
79.05497	34.4
81.03433	44.2
81.07066	100.0
83.04986	13.5
83.08620	10.4
85.02911	59.1
87.00826	32.3
91.03968	3.6
91.05487	41.8
93.07053	70.1
93.16330	3.6
95.04976	22.0
95.08619	72.9
97.02901	29.5
97.06546	8.5
97.10166	10.5
99.04463	14.6
99.08078	6.2
103.03956	7.7
105.01864	12.3
105.07040	93.3
107.04927	4.8
107.07883	4.2
107.08608	70.2
109.02914	25.7
109.06522	13.8
109.10173	65.9
111.04458	11.6
111.11736	5.8
113.09618	5.1
115.03946	12.8
115.05399	4.1
117.01861	3.5
117.06992	21.0
119.04951	5.1
119.08592	77.0
121.06528	10.8
121.10165	55.1
123.04430	19.1
123.08066	10.6
123.11708	34.7
125.06017	6.6
125.09651	9.6
127.03927	28.4
127.11201	37.8
128.06265	6.2
129.01857	12.2
129.05487	5.4
129.07021	13.5
131.08585	33.3
133.06543	5.2
133.10149	55.6
135.04442	5.8
135.08110	11.7
135.11691	40.2
137.05995	12.2
137.09604	5.9
137.13272	12.4
139.07629	4.5
139.11209	6.4
141.07034	8.4
142.07791	11.2
143.08569	24.6
144.09389	5.7
145.04976	8.9
145.06488	7.9
145.10144	53.2
147.02939	9.7
147.08049	9.5
147.11696	44.0
149.09608	7.4
149.13306	15.6
151.07591	4.5
151.11174	6.5
153.12769	7.9
155.08591	11.9
156.09386	4.6
157.10168	31.4
159.02866	8.3
159.08055	4.5
159.11714	59.7
161.09653	10.9
161.13283	18.3
163.11159	8.3
163.14748	5.4
165.09111	6.6
165.12793	6.2
167.07047	3.9
167.08528	8.6
168.09344	4.7
169.10126	15.5
171.08110	5.2
171.11711	24.6
173.09682	5.5
173.13293	18.9
175.11169	8.9
175.14806	7.7
177.09087	4.3
177.12735	6.9
177.16446	8.1
181.10097	5.8
183.11671	19.2
185.09602	8.5
185.13304	8.9
187.11212	9.7
187.14775	10.7
189.03925	7.3
189.09055	7.4
189.12808	9.9
189.16391	23.4
191.10724	4.5
191.14407	4.2
193.15877	6.1
193.19557	6.8
195.11746	7.7
197.13290	11.8
201.12787	10.4
201.16409	20.1
203.17958	25.6
205.15907	5.5
207.11734	9.2
209.09645	4.1
213.12814	7.5
213.16397	7.5
215.18025	10.2
219.17453	12.3
221.19002	15.9
223.14943	5.3
225.12804	16.0
227.17941	15.6
229.15862	5.9
231.17400	8.2
233.18948	5.2
241.16060	8.0
243.13733	5.5
243.17459	6.8
245.19063	16.5
257.18961	6.5
261.18399	5.2
263.20148	8.7
265.43591	3.8
269.18918	6.8
287.20007	10.3
293.19122	5.8
303.10980	3.6
305.21252	5.0
307.18835	4.0
311.20023	28.9
329.21063	20.2
347.15244	5.0
347.22125	4.8
352.26215	4.1
415.20911	5.6
433.22070	11.6
434.17160	10.1
451.17532	5.4
451.22943	27.4
452.18042	12.4
454.31107	3.8
469.24350	17.9
470.19171	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	468.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09838	7.8
62.19372	7.4
67.53230	7.8
71.56631	10.1
71.56981	10.3
81.07066	13.7
88.99961	8.2
91.05497	14.7
91.55994	8.0
114.78614	7.7
116.32458	8.8
119.04937	20.8
121.69317	8.3
131.08525	9.1
146.10960	8.4
147.04408	100.0
151.88742	9.9
229.00098	8.6
274.14545	8.4
284.94293	10.3
321.41980	8.6
352.69977	8.0
433.25931	12.2
458.09467	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	468.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
69.58137	5.1
69.58563	7.3
79.49392	2.0
81.07056	1.8
89.05941	1.9
91.05475	7.5
93.07028	2.0
119.04955	22.8
139.33841	2.2
146.50922	1.6
147.04419	100.0
148.04826	1.7
187.94942	2.0
281.64383	1.9
433.25793	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	467.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	1.8
55.05513	6.5
57.03440	7.7
57.07079	32.6
63.53263	1.2
66.99613	1.2
67.05511	10.7
69.07077	8.7
69.81043	2.5
69.81433	3.3
71.08279	1.9
71.08636	23.5
79.05466	2.3
81.07063	15.3
83.08612	10.1
85.10186	12.9
85.16676	1.2
89.06038	1.5
93.07040	1.9
95.08617	17.1
95.75451	1.2
97.10175	5.7
98.21453	1.7
98.98474	47.2
98.99127	2.5
105.07043	1.4
109.10155	9.9
123.11728	3.7
137.00014	3.0
155.01050	51.3
175.88177	1.2
211.03641	1.7
229.04707	2.1
239.23640	5.7
245.74379	1.3
257.24579	1.7
297.04135	1.3
313.27386	100.0
314.27780	2.9
393.23865	3.1
429.07455	1.4
449.26590	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	468.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98551	0.5
55.01866	0.7
55.05515	0.7
57.07066	1.7
59.04993	1.7
61.02911	0.5
61.23850	0.5
63.01913	0.5
67.05503	1.7
69.03427	1.5
69.07055	2.1
70.02950	1.9
70.44521	0.5
71.56979	0.7
72.04523	6.1
73.02911	2.2
74.02434	0.5
74.17493	0.5
77.26131	0.4
81.03404	2.2
83.04919	0.6
85.02908	3.7
85.06551	3.7
86.09691	0.9
87.00840	1.3
90.05561	46.5
95.04998	2.8
96.08127	0.9
97.02895	1.2
98.02421	6.0
99.04492	0.7
100.03981	1.3
103.07581	2.9
106.81009	0.5
109.02874	1.5
111.04353	0.5
113.06015	1.8
116.03461	6.3
123.04355	0.9
124.07598	7.2
127.03936	2.3
136.06206	1.3
142.08638	4.3
147.04443	1.4
155.87277	0.6
160.09688	1.2
166.08636	1.7
174.11256	1.0
178.44679	0.5
179.46300	0.6
183.87764	0.6
184.09703	10.6
202.10764	20.1
213.96274	0.5
220.11819	100.0
221.12172	1.8
272.54279	0.5
406.98914	0.5
468.18488	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.7
55.51401	0.4
63.02369	0.5
63.14984	0.4
67.05479	0.8
69.07061	0.7
70.74057	0.4
71.57124	0.4
79.05489	1.4
80.03915	0.5
81.07084	0.5
89.03928	7.9
93.07084	0.6
93.87102	0.4
95.04996	0.6
95.08612	1.4
107.04941	1.6
107.08598	0.5
109.10195	0.4
110.65153	0.4
117.03394	8.6
135.04430	18.8
145.02866	11.4
163.03920	100.0
164.04257	0.8
164.65448	0.4
181.04958	0.4
183.26907	0.4
186.05637	0.6
193.04945	0.6
237.07677	1.4
287.22144	0.6
397.02716	0.5
449.25385	5.9
467.32263	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.8
55.01865	11.9
55.05514	28.6
57.03441	19.7
61.02929	48.2
65.03920	5.4
67.05507	40.0
67.08804	2.6
67.73734	3.0
69.03127	4.2
69.03434	43.1
69.07076	17.9
69.31599	28.0
69.74987	3.3
71.01328	4.4
71.04987	10.2
73.02919	22.6
79.05497	59.2
81.02975	5.3
81.03423	71.0
81.07060	46.1
83.01358	3.7
83.04980	21.0
83.08606	7.4
84.08154	4.6
85.02428	4.0
85.02908	60.0
85.06537	8.9
87.00814	9.7
87.04449	3.5
91.03958	30.0
91.05487	100.0
93.07053	41.2
95.04972	17.1
95.08053	3.7
95.08611	42.0
97.02904	40.0
97.06509	12.5
97.10161	12.5
99.04446	15.6
101.02375	9.4
103.03925	10.3
103.05449	7.2
105.01846	4.1
105.07038	54.4
107.04943	13.4
107.08603	29.5
108.38811	3.4
109.02891	19.6
109.06541	17.4
109.10167	16.9
111.04427	7.3
111.08065	4.4
115.05442	14.1
117.07025	61.3
119.04944	4.5
119.07803	4.6
119.08593	68.9
120.08917	3.4
121.06498	12.4
121.10170	17.6
123.04439	5.2
123.08025	17.0
123.11666	6.7
125.05991	10.4
125.09630	5.5
127.03935	36.7
128.06259	21.5
129.05470	7.1
129.07019	99.1
129.08018	5.2
131.04826	4.3
131.08560	31.3
133.06496	11.7
133.10139	12.2
135.08075	16.0
135.11681	9.0
137.05972	14.3
137.09525	5.2
139.07588	3.7
139.11134	3.6
141.07021	22.1
141.94986	3.4
142.07785	4.9
143.08566	31.6
145.04953	6.9
145.06422	5.1
145.10147	22.5
147.04387	13.9
147.08049	52.5
147.11664	9.4
149.09615	10.5
149.13191	4.6
151.07587	4.0
153.07008	5.0
154.06523	6.7
154.07771	3.9
155.08539	6.5
157.10088	23.9
159.02922	4.1
159.08029	4.5
159.11699	15.1
161.09604	14.1
161.13246	4.6
163.07588	4.1
163.11229	5.5
165.06917	7.0
165.09190	4.3
167.08516	16.3
169.10136	24.5
171.08105	3.2
171.11659	16.9
173.04521	4.8
173.13249	6.3
175.11237	6.3
175.14780	3.5
179.08572	3.1
181.12354	3.3
183.06503	3.9
185.09709	5.1
185.13248	29.8
187.11205	13.8
189.12788	5.4
191.10544	5.0
195.10103	3.6
195.11633	18.3
199.14793	3.2
201.12738	5.6
201.16347	6.4
203.14247	6.4
213.12669	17.6
227.12737	5.4
229.12357	3.5
231.13786	12.3
235.13280	3.0
258.72507	3.3
278.48315	2.9
305.17535	36.4
415.93646	3.4
431.28162	4.3
449.29034	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	467.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.6
55.01863	0.8
65.03912	1.0
68.99783	1.7
69.03399	0.7
71.10657	1.2
81.03410	1.2
85.02879	0.6
91.05476	0.9
93.03413	1.1
93.07016	0.6
95.04979	13.1
109.02863	0.6
111.00790	1.3
119.04928	1.4
121.02861	4.5
123.04436	46.1
123.20473	0.5
127.03906	1.0
135.04440	0.7
137.02356	20.1
137.03401	1.1
145.02835	0.5
147.04402	4.3
149.02304	1.8
153.01828	6.1
155.04823	0.8
157.06458	0.8
161.02338	0.9
163.03854	3.5
165.01846	2.3
165.05524	7.7
171.04427	0.8
173.05998	1.4
177.01904	0.8
179.03493	1.0
181.27023	0.5
183.02945	1.0
183.04489	0.6
187.03929	0.8
189.01819	0.8
191.03397	1.1
197.05962	1.2
201.05490	2.6
203.03401	1.3
205.01347	2.1
209.04396	0.6
211.03914	0.7
215.03334	0.7
217.01381	2.0
219.02844	0.6
219.06564	0.5
221.04500	0.5
221.22260	0.5
225.05446	1.5
229.04987	6.0
231.02837	1.6
239.03371	1.5
247.05983	0.9
253.04976	2.0
257.04514	5.1
263.07071	1.2
271.06036	1.4
274.04703	1.0
281.04395	1.2
285.03888	3.4
287.05374	3.4
287.13684	0.6
293.19214	0.5
299.05548	1.8
303.05011	100.0
304.05453	2.4
305.03018	0.8
329.02908	5.9
329.06622	4.7
331.04553	2.3
347.03979	5.3
351.09039	0.5
355.04532	6.6
365.06424	1.1
373.05499	3.5
379.08167	0.6
407.07623	31.4
408.07880	1.8
421.09061	1.2
449.08698	16.0
467.09763	67.8
468.10046	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	466.332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	11.0
67.05508	27.0
69.07069	31.0
71.57130	5.0
71.57532	6.9
73.43343	4.3
79.05484	13.9
81.07065	100.0
83.08618	4.5
86.72787	3.6
91.05495	7.0
93.07050	26.3
95.08607	46.8
97.10130	5.3
105.07057	9.1
107.08591	27.7
109.10169	26.8
113.65286	3.7
119.08573	9.9
121.10162	19.1
123.11717	20.1
132.06004	3.8
135.11707	13.3
137.13271	15.1
138.06802	5.6
144.22067	3.6
147.11674	5.8
149.13235	19.7
151.07562	62.5
163.14842	6.4
166.06253	25.4
175.14806	3.6
177.09055	8.5
177.16429	4.7
190.08583	8.1
191.10725	9.5
191.17950	6.4
203.10707	7.3
205.12218	6.7
206.08142	17.8
357.01007	4.2
409.31052	11.6
425.62784	3.8
466.32974	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	21.3
58.99857	4.8
64.42120	4.5
65.59814	4.3
69.03435	7.3
69.63995	9.4
69.64405	22.9
72.01457	4.6
81.03423	5.5
85.02917	8.7
89.03926	12.1
91.05504	8.8
97.02910	8.0
98.21511	5.3
98.97589	31.8
99.60413	4.1
101.00881	36.7
110.97585	7.4
113.00848	4.7
115.02437	19.5
116.98643	8.7
117.03397	10.4
119.01931	77.2
119.02714	8.2
119.04967	12.3
127.02486	5.3
128.98605	4.9
131.01936	31.0
133.03471	60.6
134.99690	7.1
135.04376	11.9
137.02942	7.9
143.01918	43.9
144.99828	9.1
145.03488	19.8
146.99600	5.8
147.01402	8.4
147.04294	33.3
149.02985	6.0
151.04572	8.7
155.01927	26.3
157.03499	21.4
159.05074	12.4
161.02977	65.9
163.03903	93.2
168.99855	22.9
171.01398	17.3
171.05098	13.0
172.99406	5.7
173.02971	40.1
175.00870	7.7
175.04524	17.8
177.00789	7.1
177.02473	7.0
177.04311	5.5
177.06139	7.2
185.02991	20.0
186.99332	6.3
187.00902	22.2
187.04562	13.6
189.02481	12.6
189.06081	10.3
191.04012	11.2
197.02969	11.9
199.00967	17.8
199.04549	9.8
201.02483	11.6
201.06212	5.2
203.03981	22.5
213.02551	6.3
215.00406	21.0
215.03960	6.8
216.98865	6.1
217.01930	33.7
219.01778	11.3
219.03674	8.6
219.07167	23.6
221.02962	26.2
221.05138	17.1
227.04071	7.8
231.03600	12.4
231.07207	15.0
233.04930	7.2
234.99919	6.7
237.02872	9.6
240.03545	5.6
245.01440	7.0
245.05080	53.6
247.03064	14.1
255.07173	6.6
258.99982	18.7
259.06619	11.9
261.08252	13.1
263.06366	6.1
265.04068	28.5
273.07950	6.3
277.01059	14.2
279.03790	5.4
279.09317	19.2
283.00055	47.5
284.00241	5.3
287.02524	5.6
287.06201	15.5
289.03998	8.1
299.06158	6.0
301.01117	57.4
305.07211	18.8
307.05148	14.2
307.08481	7.0
315.02014	34.7
321.10416	100.0
333.02890	11.4
343.01447	16.8
345.02811	8.2
347.04654	9.1
359.04742	6.5
361.02582	19.9
375.04126	84.1
376.04645	6.6
377.05026	5.8
393.05191	40.2
401.01892	5.2
407.09995	8.2
425.01050	14.8
443.02390	43.0
467.12082	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	467.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39433	0.3
53.00294	0.3
53.03941	0.7
55.01871	0.4
58.18010	0.3
63.15500	0.3
65.03944	0.3
67.05504	0.8
68.99791	0.9
69.03416	0.6
71.57011	0.4
77.03963	0.3
79.05482	0.9
81.03416	0.8
81.07049	1.1
81.31041	0.3
82.87411	0.3
85.02886	0.6
85.48347	0.3
86.09703	5.5
87.10049	1.9
91.05472	0.9
93.03432	0.6
93.06990	0.4
95.04971	11.7
95.08607	0.7
97.02905	0.6
103.05500	0.4
105.04556	0.5
105.07037	0.4
107.04958	11.4
107.08610	0.4
107.67119	0.3
109.02891	1.0
109.10140	0.9
111.00796	1.0
111.04427	0.6
114.50644	0.3
119.04925	0.7
119.08654	0.3
121.02866	2.2
121.06531	0.6
122.57739	0.3
123.04433	50.8
123.11662	0.4
124.04732	0.4
126.09127	0.7
127.03910	1.0
135.04411	0.7
136.07617	0.5
137.02353	5.1
137.05994	0.3
139.03882	1.5
142.08603	0.5
143.11804	1.1
145.06487	0.4
147.04410	1.7
149.02357	0.7
153.01837	13.5
161.02364	0.5
163.03923	1.5
164.30336	0.4
165.01848	2.2
165.05486	13.0
171.11339	0.4
173.05957	0.6
175.03830	0.3
179.03424	0.5
181.04997	0.5
183.02925	0.8
183.04437	0.6
187.03912	0.8
195.02946	0.4
201.05544	1.6
203.03429	0.8
207.02832	0.4
208.65300	0.3
217.05045	0.6
219.10307	0.5
221.06039	0.5
224.15950	0.4
225.05531	0.4
229.04944	4.5
229.06999	0.4
230.97075	0.4
231.06631	0.4
239.03386	0.7
239.07066	1.5
241.08672	0.3
243.06583	0.4
245.04619	0.4
247.06023	0.9
253.05069	0.7
255.06563	0.5
257.04398	2.6
258.05301	0.7
259.05994	0.4
267.06552	0.5
269.04590	0.6
271.05991	0.9
273.03931	0.6
274.04440	0.6
275.05460	0.4
281.04456	0.5
285.04062	1.9
286.04688	0.5
287.05490	5.5
295.06067	1.1
295.16367	0.4
296.16913	0.5
297.04105	0.6
299.05566	0.6
301.03442	0.7
303.04996	100.0
304.05359	2.9
305.05615	0.9
305.14941	0.9
315.05048	2.4
327.04953	1.5
329.02774	1.0
329.06454	5.8
331.04477	2.4
339.05185	0.5
343.04477	3.0
355.04465	6.5
357.07355	0.4
361.05856	1.2
373.05734	1.6
403.08066	1.0
407.07605	6.2
421.09171	8.8
449.08661	3.3
467.09763	16.3
467.19577	0.7
468.09671	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72439	2.5
50.78057	2.8
53.03937	4.3
55.01870	5.2
55.05509	11.5
57.03425	9.0
60.08162	4.8
61.02914	4.4
67.05512	14.1
69.03428	24.5
69.07066	6.2
69.31351	21.6
69.31761	6.1
69.92790	2.9
70.04080	5.5
71.03721	2.8
71.04983	8.8
73.02925	4.3
79.05496	10.6
81.03418	19.0
81.07062	49.6
83.08611	8.4
83.59776	2.9
85.02908	59.3
85.06527	4.8
86.09720	16.5
87.00830	28.7
91.05455	8.9
93.07027	12.3
95.04954	7.2
95.08615	23.8
96.08935	3.9
97.02908	16.6
97.10162	7.0
98.21534	5.7
99.04441	11.0
100.88813	2.7
104.10752	29.2
105.01871	25.7
105.07037	27.5
107.04945	3.6
107.08566	11.9
109.02881	27.2
109.10179	4.8
109.81624	3.0
111.04432	3.0
117.06889	3.2
119.04944	3.9
119.08560	8.3
121.10138	20.0
122.09598	3.0
123.04403	6.1
123.11712	100.0
124.99998	9.3
125.01531	4.1
127.03104	3.5
127.03931	38.2
133.10100	4.1
135.11627	4.9
137.13264	10.0
145.04999	13.3
145.10103	3.2
147.04420	4.1
147.11693	58.6
153.01862	8.3
157.65993	2.9
159.02908	7.8
165.12766	99.7
173.61295	2.8
183.13811	71.7
184.07361	25.3
201.14812	15.0
211.97595	2.7
213.04022	3.8
231.05000	13.6
287.05487	6.1
302.04297	3.5
303.05042	23.0
304.05386	14.4
305.11755	5.7
350.07175	3.0
422.28391	2.9
465.83167	4.8
466.20346	11.3
466.28702	4.3
467.09659	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	466.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.1
55.05502	1.0
55.41407	1.0
57.03429	2.9
57.07066	1.5
67.05498	3.5
69.03433	11.6
69.07068	3.8
69.21801	0.9
69.42207	2.7
69.42636	5.3
79.05502	7.9
81.03416	1.5
81.07063	100.0
85.02917	8.5
87.04485	10.1
91.05458	1.1
93.07042	2.2
95.04969	1.3
95.08606	16.7
97.02893	11.8
105.07011	1.2
107.08588	1.2
109.02856	1.0
109.10146	1.3
115.03937	19.5
127.03956	1.8
133.04979	20.8
137.12302	1.5
137.13278	18.9
145.04974	2.6
150.07591	1.1
154.15866	1.1
259.08334	1.6
295.10175	1.2
394.69016	0.9
456.56421	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	4.3
55.01867	15.8
55.05266	5.0
55.05512	92.2
57.03421	6.7
57.07053	7.9
59.04977	5.1
59.84328	5.4
67.05506	42.1
69.03410	8.8
69.07074	32.9
70.07410	5.8
70.75624	12.8
72.68876	4.1
79.05488	41.6
81.07062	43.9
83.04974	10.5
83.08614	57.2
84.08926	4.1
91.05477	29.3
93.07053	22.3
95.08586	13.0
97.10175	99.2
98.20693	4.2
98.98466	35.5
105.07027	12.8
107.08603	39.9
109.10159	7.0
117.07010	12.3
119.08592	12.5
121.10157	5.3
125.09634	100.0
129.07028	11.5
131.08571	18.6
133.06499	6.8
135.08037	20.6
137.00021	6.8
143.08604	6.8
145.06482	10.1
153.09106	20.5
155.01028	27.4
155.08659	6.9
157.10130	10.1
159.08047	5.8
189.11234	5.1
195.11501	5.9
197.13226	6.6
203.12785	92.7
213.52322	4.2
215.14313	21.7
225.82143	4.1
233.60460	4.6
238.22549	4.7
239.03325	4.5
243.13727	4.4
247.16890	7.0
311.25912	11.1
312.26141	65.2
313.27313	7.0
349.21643	15.4
367.22821	22.9
381.24030	8.3
399.25433	53.3
417.25980	11.0
431.27893	74.7
439.72775	5.3
448.25159	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	465.3578
Annotation	Certonardosterol B2
Peak:m/z	Relative Intensity
52.88513	1.9
53.03942	2.7
55.01873	1.9
55.05295	1.9
55.05519	21.7
56.00093	1.9
57.07092	10.1
64.62595	2.0
67.05502	18.9
69.07072	39.9
70.05822	8.9
70.40335	1.5
71.08658	4.1
79.05486	5.5
81.07064	41.4
83.01346	10.0
83.08633	20.6
85.02911	7.4
85.06580	2.2
85.10212	2.2
89.06052	5.8
91.05474	3.9
93.07009	8.8
95.04957	4.1
95.08614	34.2
95.09204	1.3
97.06538	2.1
97.10184	11.0
105.07024	6.8
107.08612	10.4
109.06535	7.5
109.10161	21.7
111.04466	2.7
111.08064	2.1
111.11732	4.9
119.08566	4.2
120.01189	1.9
121.06510	3.3
121.10146	6.8
123.08076	10.8
123.11707	16.0
125.05987	6.1
125.09635	2.8
127.69033	1.8
131.08588	3.7
133.08582	4.7
133.10130	4.1
135.08046	4.0
135.11711	4.5
137.05992	8.7
137.09569	4.0
137.13266	6.5
139.07562	15.5
145.10124	3.8
147.11717	4.2
149.09604	3.2
149.13289	3.8
151.07530	7.6
151.11197	6.2
151.14835	1.9
153.09196	2.6
154.44896	1.8
155.11540	1.9
159.11710	3.7
161.09666	4.5
161.13284	3.0
163.11154	3.0
165.09076	4.1
165.12741	3.3
173.13240	3.1
177.09059	4.5
177.12743	3.4
179.10658	6.0
179.14351	3.0
181.08620	7.6
181.12244	2.9
183.06541	2.7
191.10597	2.1
193.12291	7.0
195.13837	2.4
205.12279	2.6
207.10258	3.0
207.13869	5.6
209.11723	4.0
221.11699	2.6
233.11658	2.4
249.18616	2.1
303.04996	8.7
373.34705	2.4
401.34146	12.9
408.10223	2.2
408.84531	1.9
411.32565	4.6
419.35040	3.8
429.33621	28.2
447.34744	64.3
465.35785	100.0
466.36005	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	466.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03896	2.0
53.03941	6.3
55.01857	5.7
55.05505	8.0
57.03405	4.4
61.02925	5.2
66.57272	2.4
67.05505	12.2
69.03127	2.6
69.03437	30.4
69.07056	2.9
69.20397	2.3
69.26408	23.9
71.04977	4.8
73.02908	3.2
77.91409	2.5
79.05494	6.3
81.03424	18.5
81.07058	48.5
83.08609	10.0
85.02430	3.3
85.02909	63.2
85.06548	5.0
87.00838	33.0
91.05467	6.5
93.07029	8.4
95.08617	16.6
97.02896	20.6
99.04438	10.2
105.01887	27.3
105.07027	26.4
107.08582	11.3
109.02879	28.0
114.19469	2.5
119.08566	9.7
121.10132	21.9
123.11717	100.0
127.03918	36.3
133.10222	2.3
137.13248	13.0
138.27763	2.6
145.04982	13.2
147.04448	3.1
147.11694	56.9
147.70520	2.4
159.02896	5.2
165.12761	90.0
183.13808	49.8
184.13986	2.6
201.14926	15.0
213.03883	3.8
231.04968	6.8
249.05957	2.6
269.17303	2.6
304.05475	3.5
347.45770	2.2
360.06250	2.4
361.06683	4.4
406.06308	10.8
407.07379	5.6
407.12280	5.5
410.85483	2.7
424.14917	4.9
466.08499	26.2
466.19214	6.1
473.30942	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3218
Annotation	2-Deoxyecdysterone
Peak:m/z	Relative Intensity
53.03947	7.2
55.01881	4.2
55.05267	3.3
55.05519	64.2
57.03430	5.6
57.07059	5.9
67.05511	65.1
69.03435	16.0
69.06725	4.0
69.07073	50.7
69.26019	30.9
71.04987	6.7
79.05502	32.6
81.03408	8.9
81.07067	86.9
82.07380	2.7
82.88261	2.8
83.04980	11.8
83.08630	16.6
85.02907	11.6
85.06551	9.3
91.05488	35.1
93.07059	62.7
95.04968	11.7
95.08614	93.6
97.02917	5.8
97.06536	14.0
97.10177	82.1
99.04468	4.2
99.08076	10.2
101.10740	2.8
105.07047	51.4
107.08607	73.0
108.08972	3.2
109.02925	4.8
109.06519	23.9
109.10164	100.0
111.04459	3.2
111.08087	13.3
111.11725	6.9
113.06000	3.0
117.07027	11.2
119.08594	56.3
121.06533	18.0
121.10161	52.6
123.08076	35.6
123.11700	21.6
125.05989	16.0
125.09615	20.2
129.06989	6.7
131.08595	20.3
133.10155	34.7
135.08063	28.5
135.11670	23.2
137.02342	8.1
137.06004	40.6
137.09621	29.3
137.13268	4.6
139.03879	4.9
139.07542	8.1
139.11163	15.3
141.09105	3.8
142.07837	7.4
143.08546	12.5
143.10722	19.3
145.10161	27.6
147.04472	3.4
147.08064	8.3
147.11711	31.3
149.09590	14.6
149.13272	12.6
151.07536	13.6
151.11191	7.5
153.05481	5.9
153.12720	5.1
155.10701	4.6
156.09377	10.1
157.10155	44.7
157.12225	7.7
158.07379	3.1
159.11719	31.5
161.09624	21.2
161.13264	21.2
163.03903	5.7
163.07576	6.5
163.11211	19.9
163.14799	5.7
165.09100	19.3
165.12779	10.1
167.07169	3.4
169.10065	5.0
171.11711	31.2
173.09711	7.0
173.13251	20.9
175.11235	17.3
175.14836	8.2
177.09093	3.6
177.12775	10.1
179.10670	7.3
181.10159	4.2
181.15993	3.2
183.11678	8.8
185.13298	10.5
187.11131	8.9
187.14888	5.6
187.79044	2.9
189.11215	7.1
189.12773	26.6
191.14180	6.4
193.12238	4.9
195.11671	3.2
196.12502	3.7
197.13338	4.7
199.11378	3.8
199.14851	10.4
201.12805	5.2
201.16373	5.3
203.14340	5.1
203.17960	4.4
205.16042	5.2
207.13815	4.6
209.13382	3.3
211.14842	7.1
213.12852	7.0
213.16420	14.4
217.12149	3.7
225.16281	5.2
227.14366	3.7
227.17964	13.2
229.15895	10.8
231.17413	19.3
233.15385	4.9
235.16811	4.3
241.19600	5.8
245.19022	20.0
247.17009	4.3
247.20560	7.7
252.00343	3.1
253.17946	9.2
255.17412	18.7
257.18927	8.2
259.20590	13.7
263.20065	6.1
267.17484	6.0
271.16708	3.5
273.18533	24.6
277.21643	4.1
285.18561	6.6
291.19583	4.7
303.05005	61.3
304.59189	3.1
365.28214	7.1
383.29398	11.7
393.28036	16.9
401.30789	17.7
411.29050	39.0
429.30069	86.7
447.31284	51.9
465.31860	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.5
60.17899	0.3
65.03934	1.1
67.05502	0.5
69.07079	0.7
70.06884	0.6
70.07268	0.7
81.07051	0.5
91.05491	11.8
91.06083	0.6
93.07064	0.4
95.08607	0.5
97.10156	0.3
98.21375	0.4
102.29701	0.3
106.96956	0.3
119.04954	25.1
121.10110	0.6
138.71989	0.3
147.04422	100.0
148.04747	0.8
165.05476	0.8
178.11787	0.4
221.08171	1.2
303.04968	1.0
318.67563	0.3
447.27481	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	465.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.2
55.01871	6.9
55.05515	22.9
57.03438	32.9
65.03965	4.9
67.05163	6.0
67.05506	74.4
69.03440	4.0
69.07063	16.3
71.05002	5.7
79.05495	78.1
81.03416	13.1
81.07057	68.1
83.04984	17.7
83.08630	17.6
85.02898	5.9
85.06526	4.1
91.05482	100.0
93.06480	4.9
93.07050	78.6
95.05000	16.1
95.08609	26.9
96.77657	3.7
97.02879	7.2
97.06503	11.9
97.10162	4.5
98.76701	3.7
100.09267	4.1
105.07036	48.7
107.04953	14.0
107.08607	24.9
109.06550	3.6
109.10162	5.6
111.08057	8.4
111.47090	3.6
116.52370	3.6
117.07040	18.3
119.08578	18.1
121.10168	31.9
123.08112	6.0
128.06201	4.1
129.06984	7.3
131.08565	10.4
133.06546	3.9
133.10143	30.1
135.08052	7.1
135.11658	6.1
139.11174	5.0
143.08611	8.1
145.10170	6.4
147.11671	10.7
149.02345	7.0
149.09613	12.1
149.13278	17.3
159.11719	4.6
161.09575	17.6
161.13297	6.9
167.10739	5.7
171.11668	16.2
179.10660	11.7
189.12817	6.7
193.04964	5.3
195.13809	9.7
207.13728	21.9
237.07504	7.5
241.14441	22.8
253.14406	39.8
256.26434	7.1
269.17459	37.9
281.17538	19.9
303.05002	48.7
340.92386	3.5
447.27457	68.1
465.15170	7.1
465.31058	4.1
466.31509	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	465.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.7
55.01859	4.4
55.05512	65.8
57.03424	4.7
57.07051	7.9
65.03909	4.6
67.05505	65.9
69.03427	22.0
69.07066	57.8
70.02937	12.7
71.04984	6.5
71.19668	3.6
77.79591	2.8
79.05496	40.7
81.03406	8.8
81.07059	83.0
83.04954	8.5
83.08614	12.4
85.02895	11.0
85.06529	8.4
87.00829	3.8
91.05488	29.1
93.07046	71.8
95.04956	11.7
95.08608	90.1
97.02885	8.6
97.06536	13.8
97.10175	100.0
99.04449	4.2
99.08083	6.0
105.07031	51.3
107.04954	3.5
107.08592	66.3
109.02892	7.1
109.06511	20.1
109.09454	6.4
109.10157	86.4
111.04469	7.6
111.08098	15.3
111.11730	7.0
115.03928	3.8
117.06998	13.0
119.08578	67.3
121.06483	16.8
121.10146	54.9
123.04404	4.8
123.08073	30.9
123.11694	20.6
125.05965	10.0
125.09634	25.7
127.03915	12.6
127.11182	3.4
128.06212	6.5
129.06995	7.6
131.08601	20.5
133.10135	39.3
135.08069	30.7
135.11694	28.9
137.05966	24.5
137.09631	24.3
137.13268	8.2
139.07518	8.7
139.11217	16.8
141.09090	4.4
142.07761	10.0
143.08609	15.4
143.10681	28.7
144.09381	5.2
145.10112	32.8
147.04362	5.4
147.07985	3.7
147.11681	36.2
149.09659	18.8
149.13255	9.7
150.11571	3.1
151.07564	18.3
151.11191	8.7
153.01804	4.9
153.05493	3.7
153.09273	3.1
153.12762	5.3
155.08495	5.4
156.09290	7.7
157.10135	43.4
157.12289	7.9
158.10918	5.3
159.08047	5.4
159.11693	27.5
161.09599	20.6
161.13307	20.2
163.07481	6.4
163.11201	24.0
163.14806	8.4
165.09128	19.6
165.12761	9.8
169.10146	7.9
170.10999	5.3
171.11679	26.0
173.09576	6.6
173.13269	24.2
175.11172	18.1
175.14809	9.2
177.09096	3.6
177.12718	10.6
179.10655	6.4
179.14307	5.3
181.12250	6.9
182.12524	7.9
185.09660	3.6
185.13243	10.0
187.11137	7.9
187.14815	9.6
189.11200	7.6
189.12744	37.8
189.16418	7.4
191.14377	7.5
197.13301	6.7
199.11249	3.3
199.14810	9.9
201.12775	4.4
201.16322	6.1
203.14333	7.3
203.18005	5.1
207.13884	5.2
209.13203	3.5
211.14763	6.9
213.16429	17.7
215.14352	5.3
217.15924	6.5
225.16508	6.5
227.17859	16.5
229.15915	13.1
231.17474	10.2
235.14525	3.4
235.16878	5.5
241.16054	3.9
241.19502	5.1
243.17488	11.7
245.18990	18.8
247.16933	4.9
247.20654	3.7
251.16351	6.8
253.18004	9.6
255.17543	17.7
257.04498	3.9
257.19012	4.2
259.20544	16.5
263.20218	3.9
269.18985	3.5
273.18518	21.6
275.20001	3.8
277.21649	5.5
285.18381	5.8
291.19556	3.6
293.21030	2.9
303.04984	58.3
307.22360	3.6
316.24316	3.1
355.74103	3.1
365.28262	7.5
383.29340	12.2
393.27869	21.5
401.30463	6.2
411.28897	42.2
424.14780	4.3
429.30099	82.0
447.31305	46.7
465.31937	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	465.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	11.2
55.05264	1.7
55.05516	21.9
57.03444	8.1
57.07091	9.8
67.05507	8.3
69.07075	23.6
69.79858	7.1
71.08624	5.7
73.02911	6.7
79.05522	6.4
81.07070	10.4
83.08627	20.1
85.10193	2.7
87.63972	1.1
91.05508	1.3
93.07066	5.8
95.08611	6.5
97.06526	2.5
97.10175	14.0
98.98472	52.5
102.25678	1.1
103.97765	1.2
107.08594	3.0
109.10166	2.8
111.11713	4.0
111.12438	1.1
116.99477	1.4
121.10159	8.0
123.11684	1.1
129.05495	2.8
131.11603	1.2
135.11708	2.4
135.61650	1.3
136.99985	4.0
137.97606	1.4
154.75159	1.1
155.01047	45.2
158.97815	1.2
177.16199	1.6
211.03719	1.2
225.98581	1.1
229.04793	2.6
237.22131	8.8
238.43221	1.1
272.38809	1.3
303.04913	1.7
311.25821	100.0
312.26193	2.8
328.16797	1.2
346.21484	1.2
393.06296	1.4
447.25098	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	465.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11177	0.3
59.22775	0.3
61.02927	0.8
69.03446	0.8
69.92312	1.7
81.03432	0.4
85.02907	2.4
86.09712	100.0
87.10027	0.6
91.03984	0.4
91.05468	0.6
97.02908	0.8
105.07057	0.4
109.02922	0.4
111.00835	0.5
111.04510	0.4
119.04969	0.8
120.08115	0.7
121.02884	0.7
123.04428	1.3
130.06540	0.5
136.07610	4.0
137.02364	1.3
137.06067	0.3
143.11801	17.8
145.02849	0.4
147.04428	0.7
153.01872	1.3
165.01852	0.6
165.05479	2.1
171.11302	11.5
171.12704	0.7
182.08142	4.7
194.98460	0.3
201.05524	0.6
229.05031	1.4
239.17523	2.6
249.16080	0.5
257.04498	1.3
284.19662	5.4
285.03802	0.6
295.16556	11.9
303.05014	27.3
304.05508	0.6
355.04489	0.5
405.06259	0.6
447.26233	0.9
465.08484	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11451	0.3
57.03411	0.5
61.62326	0.3
62.81466	0.3
65.03934	0.4
69.03409	0.9
71.56352	0.6
81.03404	0.5
85.02871	1.2
92.53635	0.4
97.21044	0.4
99.04419	0.5
100.55817	0.4
121.02828	0.6
137.02368	1.9
147.04276	0.4
152.21805	0.4
153.01776	0.9
163.03851	0.7
169.01343	0.5
171.07904	1.5
172.05034	1.3
172.08699	7.2
173.09480	1.0
174.10298	0.6
186.10223	1.8
187.07413	7.3
198.06647	1.2
199.07387	3.8
200.08206	3.3
214.09763	1.0
216.07684	9.5
216.10072	3.0
229.04919	0.7
229.07199	0.6
243.08774	100.0
244.09546	53.7
245.10245	1.4
257.04535	0.6
257.10345	4.3
303.04980	16.2
303.13327	0.5
329.06534	0.5
355.04434	0.6
361.14734	0.6
362.13608	1.2
377.14621	0.7
378.15326	67.9
379.16104	26.6
423.07065	2.2
430.12448	0.6
447.14960	6.7
465.08167	5.0
465.16327	4.3
494.51172	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.9
65.03929	1.4
67.05500	1.3
69.03415	1.0
69.07063	1.2
71.56981	0.4
79.05490	0.8
81.03397	0.8
81.07038	1.2
83.01309	0.4
85.02888	1.1
85.06529	0.6
86.09705	0.8
91.05464	1.0
92.05007	1.7
93.07035	1.1
94.06538	0.4
95.08595	1.1
97.02928	0.5
97.06541	0.5
104.10725	0.9
105.07039	1.0
107.04932	0.5
107.08594	0.8
109.10176	0.6
111.04417	0.4
119.08569	0.7
120.04521	0.7
121.02920	0.5
121.10133	0.8
125.00027	0.5
127.03922	0.7
128.45547	0.4
133.10112	0.6
135.04385	0.8
135.11676	0.5
137.02322	0.8
137.06007	0.9
138.05508	17.0
138.09126	6.4
145.10155	0.6
147.04425	0.9
148.03993	0.5
150.09135	0.6
153.01788	0.6
157.10176	0.5
163.03935	3.1
163.05099	0.7
164.07135	0.7
166.05006	23.1
175.03920	0.5
184.07358	1.5
184.11205	0.8
189.12755	0.5
189.16269	0.5
194.86281	0.4
201.05400	0.4
201.10277	0.5
211.12283	1.1
212.10776	2.3
213.13911	0.7
214.08939	0.4
214.12355	3.1
226.08772	0.4
228.08839	0.6
229.05023	0.7
229.09679	0.8
229.13278	2.1
230.11769	1.7
232.13342	2.5
235.07103	0.5
239.11850	1.2
240.10225	1.4
241.13345	0.8
242.11894	2.8
243.11330	1.2
256.08481	1.7
257.09244	1.4
257.12863	9.3
258.13553	0.5
259.11838	0.8
260.12839	2.7
267.11292	1.1
267.40527	0.4
268.09750	0.7
269.46564	0.4
271.02432	0.6
272.11578	12.7
273.11984	0.4
274.09467	6.1
275.10388	1.2
275.13919	4.7
285.12341	17.5
286.10794	1.2
287.05420	2.2
303.05283	6.3
303.13397	100.0
304.13748	2.3
344.00626	0.4
347.04218	0.4
349.18802	0.4
381.09564	1.4
391.08105	0.4
405.05969	7.4
405.10822	0.7
406.06717	0.8
407.07352	0.5
423.07138	0.9
433.09369	0.4
447.17532	0.8
465.07706	3.5
465.18469	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	10.2
57.25743	3.1
64.38296	2.9
67.52027	3.7
69.03422	8.3
70.73061	8.7
71.04999	68.9
73.02889	3.3
75.04481	6.1
83.04982	10.7
85.02428	5.9
85.02917	100.0
94.75291	3.7
95.04972	5.2
95.07052	3.2
97.02904	10.2
98.21334	3.2
105.01888	3.9
109.02869	3.2
109.11817	3.9
111.04440	4.5
115.19881	2.9
121.02869	4.2
121.72338	2.9
127.03918	11.3
129.05495	57.4
133.06525	6.4
139.03911	5.6
145.04932	4.7
147.04411	7.2
147.06483	20.3
163.03955	6.3
164.09158	4.4
217.08694	5.5
303.04883	5.3
335.38547	3.5
365.08313	3.6
383.09799	12.3
429.28360	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1027
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
57.03436	0.4
61.02929	2.2
68.99792	0.6
69.03448	2.5
69.24116	3.4
73.02930	0.7
75.08646	0.4
81.03407	1.7
85.02912	8.4
91.03970	0.9
97.02897	3.8
98.20758	0.6
99.04454	0.7
109.02883	0.8
111.00794	1.0
121.02879	0.6
123.04424	0.5
127.03915	1.3
131.46342	0.4
137.02356	3.3
145.04968	1.4
149.02306	0.5
153.01840	4.3
161.05986	0.4
163.03947	0.8
165.01834	2.2
183.02853	0.8
187.03934	0.6
195.36867	0.4
201.05437	2.2
229.04942	4.4
247.06120	0.7
257.04480	2.7
274.04861	0.8
285.03918	1.2
303.05014	100.0
304.05362	2.6
455.08359	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1029
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03938	0.6
55.01880	0.4
57.03444	1.1
60.83545	0.2
61.02928	1.9
68.99789	0.6
69.03435	3.5
71.05003	0.4
73.02905	0.6
81.03423	1.7
85.02910	9.6
87.04473	0.3
87.86475	0.2
91.03953	0.7
93.03371	0.2
95.04982	0.4
97.02902	3.4
98.21530	0.4
99.04465	0.4
109.02888	1.5
111.00798	1.0
121.02886	1.5
127.03936	1.9
137.02350	3.9
137.75714	0.2
145.04965	1.3
145.06473	0.2
149.02338	0.4
153.01833	4.4
155.04932	0.3
158.74887	0.2
160.42781	0.2
163.03893	0.6
165.01855	2.1
166.02679	0.3
173.06026	0.3
179.03358	0.2
183.02904	1.0
183.04364	0.4
187.03885	0.4
195.02995	0.3
201.05463	2.0
207.02876	0.2
219.03107	0.2
219.06485	0.4
228.04263	0.4
229.04979	5.4
247.05940	1.0
257.04474	3.1
258.04727	0.2
274.04666	0.7
275.05554	0.2
285.03979	1.5
302.04102	0.4
303.05008	100.0
304.05356	2.3
307.82288	0.2
315.05026	0.6
345.06046	0.5
394.23264	0.2
429.07330	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3786
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
52.02771	2.5
54.48138	1.9
55.05512	12.6
57.07085	28.3
57.82629	2.2
64.08937	2.0
67.05177	2.4
67.05511	7.1
69.07079	24.4
71.08646	23.7
71.57030	3.3
79.05481	3.9
80.32048	2.1
81.07063	20.4
83.08634	15.1
85.10191	15.0
91.05495	4.1
93.07036	7.9
95.08617	20.4
97.10176	11.9
99.04446	4.0
100.24236	2.2
105.07088	5.3
107.08607	5.3
109.06537	11.7
109.10160	7.7
111.11732	4.5
111.57584	1.8
119.08590	3.4
121.10146	3.6
123.08101	9.9
123.11706	5.0
125.06007	13.4
127.07565	44.8
137.05977	5.4
139.07553	100.0
147.11723	2.8
149.06053	3.1
151.07568	5.9
151.11156	2.5
157.82024	2.2
159.11754	2.2
165.09186	2.4
167.07072	7.6
175.14856	2.7
177.09091	14.6
179.10753	2.8
196.88617	2.0
271.25256	2.5
301.28760	6.4
305.01953	2.1
319.30008	11.9
347.33066	15.0
373.30734	3.4
399.36594	2.2
403.35843	2.2
416.63773	2.1
417.37289	19.8
427.35492	5.1
445.36911	37.2
463.38025	30.7
467.47830	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	463.3786
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
53.73518	2.4
55.05522	18.1
57.06874	2.4
57.07082	28.2
61.54814	2.3
63.86953	2.5
67.05508	8.9
69.07068	24.0
71.08648	28.1
72.81941	2.6
79.05482	7.0
81.07059	20.9
83.08634	15.5
85.10172	11.3
91.05463	5.3
93.07056	8.9
95.08620	15.7
97.10179	11.4
99.04454	7.2
105.06992	6.2
107.08611	4.5
109.06522	11.7
109.10168	9.6
111.11703	4.9
119.08614	3.6
121.10130	5.5
123.08063	11.3
125.06028	13.9
127.07558	40.1
133.10112	5.4
137.06013	5.9
137.09665	4.0
139.07549	100.0
139.08626	6.2
142.11021	2.7
147.11655	3.2
149.05940	3.2
149.09578	3.0
151.07538	6.8
156.99377	2.3
161.13266	3.1
163.07564	3.3
165.09117	4.3
167.07013	6.5
177.09145	15.2
189.13028	2.6
200.67273	2.4
301.28900	6.2
319.29926	10.3
347.32986	17.3
373.30850	4.5
399.35825	2.8
403.35431	3.5
417.37204	15.2
427.35953	4.8
445.36832	39.4
463.37946	23.5
483.78857	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	463.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	5.0
55.01874	3.2
55.05514	19.5
57.03446	8.5
57.07071	3.0
65.03947	3.7
67.05508	82.3
68.90947	1.0
69.07072	32.2
69.25503	10.1
71.01363	1.3
71.04988	4.9
74.29768	1.0
79.05496	54.4
80.12546	1.0
80.13021	0.9
81.03416	2.7
81.07063	100.0
83.04982	9.1
83.08633	16.7
85.02937	0.9
85.06547	6.0
91.05482	29.5
93.07050	79.2
93.26557	0.9
94.95826	0.9
95.04975	8.6
95.08611	29.4
97.06539	17.8
97.10206	2.8
97.77256	1.0
97.87708	1.0
99.08092	4.9
103.61107	1.0
105.04562	1.6
105.07034	10.2
107.08604	38.6
109.06520	3.9
109.10163	4.8
111.08096	8.2
117.07035	12.1
119.04975	4.2
119.08583	5.3
121.06538	3.0
121.10149	23.3
123.11745	2.3
125.05890	1.1
125.09666	1.3
129.06985	1.3
131.08574	10.0
133.10117	8.4
135.08086	2.5
135.11711	13.1
139.11232	2.2
144.09372	1.3
145.10164	1.2
147.04424	19.1
147.11740	2.1
149.09673	1.6
149.13264	51.2
153.09138	1.0
159.11729	20.6
163.11255	1.7
177.12740	9.5
195.13824	17.3
213.14937	3.3
249.30536	0.9
368.05087	1.0
457.03394	1.2
463.30667	59.9
464.30646	1.4
485.43066	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.342
Annotation	Stoloniferone T
Peak:m/z	Relative Intensity
53.03947	3.4
55.01863	0.8
55.05513	6.0
57.07078	1.3
57.64732	0.3
61.53897	0.3
65.03926	0.4
67.05507	4.8
69.03441	0.4
69.07074	10.7
70.62753	0.7
70.63086	0.4
77.58113	0.3
79.05499	2.0
79.39890	0.4
81.07074	2.2
83.01348	7.3
83.08628	4.0
91.05496	1.0
93.07058	1.2
95.08629	1.4
97.02887	1.1
97.06542	0.4
97.10165	1.3
107.04977	1.8
107.08645	0.7
109.06544	0.8
109.10129	0.5
111.11712	0.5
115.03944	0.7
119.08626	0.4
121.02875	1.0
121.10142	0.5
127.55491	0.3
127.58221	0.4
129.01862	3.5
133.10197	0.3
135.04424	8.8
135.11682	0.4
153.05475	4.2
157.04935	0.5
163.03914	1.5
163.11241	0.4
166.36754	0.4
169.04980	0.4
181.04973	21.2
182.97699	0.3
183.06555	0.5
191.10622	0.4
195.04736	0.8
195.06544	16.0
199.06033	31.4
200.06293	0.5
207.06516	0.4
209.08113	8.2
213.07532	0.5
218.91367	0.4
221.08203	0.6
222.07629	1.0
223.09680	8.0
235.09708	0.9
237.11247	5.8
249.11311	1.7
251.12848	4.4
263.12799	1.0
265.14386	2.3
277.14410	0.4
279.15936	1.5
291.16095	0.4
293.17572	1.5
300.87326	0.4
307.19052	2.5
319.19043	0.8
321.20758	0.8
333.20404	0.5
345.05521	0.3
349.23862	0.4
361.23880	0.4
363.25571	0.4
377.26761	0.5
389.26987	0.7
445.33136	8.6
463.34222	100.0
464.34631	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	463.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.2
55.01859	0.2
55.05516	2.1
57.03447	1.1
57.07062	0.5
57.15975	0.1
63.02390	0.3
63.64513	0.1
65.03951	0.2
67.05512	1.5
67.70409	0.1
69.06725	0.2
69.07075	2.7
69.94089	0.7
74.13765	0.1
79.05499	1.8
81.07061	1.2
83.04957	0.2
83.08632	1.2
84.64984	0.1
89.03922	5.3
89.04482	0.3
91.05500	0.3
91.79507	0.1
93.07054	1.2
95.04997	0.3
95.08614	1.2
96.86876	0.1
97.06542	0.5
97.10172	0.5
98.20747	0.1
105.06987	0.1
107.04967	1.8
107.08591	0.5
109.10155	0.6
111.11701	0.1
117.03387	6.9
118.17008	0.1
121.10130	0.8
121.10911	0.1
123.11722	0.2
123.73833	0.1
125.09697	0.1
135.04428	13.9
135.11687	0.4
139.17691	0.1
145.02859	10.9
149.13356	0.2
158.05980	0.2
163.03917	100.0
164.04292	0.9
177.05351	0.1
181.04982	1.4
186.05490	0.2
191.17978	0.3
209.19014	0.2
219.72926	0.1
237.07639	0.3
283.22708	0.4
463.26822	3.4
464.27673	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
55.01871	0.4
55.05516	2.5
57.03441	1.4
57.07082	0.6
62.01599	0.2
63.02369	0.3
67.05511	2.2
69.07076	3.0
70.62980	0.6
71.05000	0.3
75.69162	0.2
77.33305	0.2
78.70024	0.2
79.05489	1.6
81.07052	1.7
83.04965	0.4
83.08633	1.1
89.03915	5.0
91.05473	1.4
93.07050	1.8
95.08615	1.6
97.06559	0.4
97.10176	0.8
105.06995	0.5
106.04184	0.2
107.04950	0.4
107.08593	0.8
109.10130	0.5
111.08098	0.3
117.03386	17.3
117.07029	0.2
121.10144	1.5
133.10182	0.2
134.03641	1.1
135.04436	2.4
135.11713	0.6
140.54712	0.2
145.02853	43.3
145.10107	0.3
146.03200	0.4
149.05988	5.2
149.13248	0.3
158.06058	0.3
162.03168	0.5
163.03918	10.2
164.04245	0.2
177.05478	100.0
178.05785	1.1
186.05527	1.4
195.06558	1.2
195.17509	0.5
237.87051	0.2
251.09111	0.4
269.21140	0.3
302.87500	0.2
429.62598	0.2
441.03992	0.2
445.29199	0.4
463.26697	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	463.3057
Annotation	Verbacine
Peak:m/z	Relative Intensity
51.02367	1.1
53.03957	5.7
53.98864	0.9
55.01878	2.4
55.05516	19.7
57.03433	5.0
57.07072	2.9
65.03935	3.3
67.05509	76.5
69.07073	25.3
70.18671	3.0
71.05009	4.9
73.12204	0.9
79.05499	53.8
81.03419	4.5
81.07063	100.0
83.04987	6.4
83.08623	16.7
85.06548	5.1
91.05489	33.0
91.06027	1.0
93.07052	65.7
95.04978	10.1
95.08612	25.7
95.85683	0.9
97.06538	12.0
97.10172	3.7
98.20721	1.0
99.08098	3.5
105.04517	1.5
105.07040	14.0
107.04957	1.3
107.08603	45.8
109.06518	5.0
109.10155	6.3
111.08089	9.3
113.09659	1.3
115.05499	1.2
117.07028	12.9
119.08592	8.3
121.06525	3.2
121.10152	20.0
123.08044	1.8
123.11732	3.9
125.06025	3.8
125.09597	1.3
127.07655	1.4
129.07007	3.0
131.08571	13.1
133.06439	0.9
133.10147	16.2
135.08046	2.8
135.11714	11.4
139.07552	1.2
139.11185	1.5
143.08562	1.4
145.10138	3.0
147.11758	2.3
147.35486	1.0
149.09641	1.9
149.13266	39.1
151.07584	1.1
151.11200	2.6
153.05342	1.1
153.09157	1.1
153.12746	0.9
157.10118	2.8
159.11708	16.1
167.07089	2.4
169.10107	1.1
177.12769	9.4
189.12743	1.0
195.13834	20.4
213.14818	1.8
213.16632	1.0
251.16473	2.0
277.18246	1.5
281.17569	1.3
343.26422	1.0
353.25220	2.3
371.25906	3.7
389.26886	2.3
417.30069	6.1
445.29489	10.0
463.30603	69.2
464.31015	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2329
Annotation	Pulchelloid D
Peak:m/z	Relative Intensity
53.03938	1.7
53.67753	1.3
55.01871	2.7
55.05517	15.0
57.03439	3.3
57.07070	3.0
60.55852	1.5
65.03933	2.6
67.01884	2.9
67.05179	1.9
67.05511	30.2
68.99803	11.3
69.07075	19.2
69.57254	7.2
69.57655	3.0
71.04977	2.9
79.05500	26.8
80.05881	1.5
81.03419	5.1
81.07063	37.7
83.04964	5.5
83.08620	10.7
85.06555	2.1
89.03940	1.9
91.05495	17.0
93.07050	21.3
95.04991	7.2
95.08047	2.8
95.08617	34.8
97.06544	47.1
97.10191	8.4
99.08125	2.0
99.33585	1.6
105.07049	12.2
107.04952	3.1
107.08600	14.6
109.06522	4.4
109.10163	19.4
111.00815	25.4
111.04445	5.3
111.08085	4.4
116.61398	1.3
117.03423	3.5
117.07010	4.6
119.08582	14.8
121.06509	3.0
121.10135	11.1
123.04423	2.4
123.08078	4.5
123.11716	5.6
125.06010	2.5
125.09660	2.2
127.03931	100.0
129.07047	2.6
131.08580	3.3
133.10136	10.0
135.04416	5.1
135.08061	3.3
135.11705	5.8
136.64900	1.5
137.09628	4.5
137.13380	2.0
139.03912	30.8
142.28102	1.4
143.08537	1.9
145.02852	5.0
145.10126	5.0
147.08046	2.8
147.11681	6.5
149.09607	2.2
149.13274	5.3
151.07599	1.7
151.11151	1.7
153.05482	1.4
157.10191	2.1
159.04457	1.9
159.11827	2.1
161.02383	5.3
163.03935	30.9
165.09117	4.6
167.07033	4.2
171.11713	2.5
173.02377	12.3
173.09698	1.8
173.13341	2.4
175.14825	6.9
177.09116	1.9
179.10677	1.5
181.08603	2.2
189.09042	1.6
189.12730	2.1
189.16441	4.1
195.13817	1.9
195.24207	1.6
199.14850	2.6
207.13754	2.1
209.11676	1.9
213.16418	2.2
215.07014	15.7
223.13206	1.8
229.18201	1.6
235.13258	2.1
235.17018	5.3
249.18506	2.0
252.54260	1.5
253.17239	1.4
259.09683	44.9
277.17987	4.0
291.19498	13.7
295.18915	2.9
301.17981	4.2
305.17761	1.6
319.19086	63.2
326.13071	1.5
337.20117	50.6
403.21219	3.2
417.29773	1.8
421.22379	2.1
445.23001	7.2
463.23181	15.9
463.29761	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	463.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99204	2.1
53.03941	4.1
55.01863	11.1
55.05511	19.9
57.03418	4.0
57.07074	3.4
67.05505	21.6
69.03421	8.2
69.07074	21.4
70.31062	8.7
71.04994	6.1
75.94461	2.1
79.05502	19.9
81.03413	4.5
81.07056	30.5
83.01344	3.4
83.04980	10.1
83.08643	4.3
85.02899	5.9
85.06525	3.2
89.03925	5.7
91.05477	17.4
93.07047	19.8
95.04976	13.1
95.08601	31.3
97.02899	4.4
97.06534	71.1
97.10173	10.6
98.20839	3.4
98.63351	2.7
99.04472	4.0
105.07033	15.6
107.04960	3.7
107.08607	14.5
109.02918	3.0
109.06514	6.7
109.10133	19.4
111.04447	2.7
115.05466	13.5
117.03397	3.1
117.05816	3.0
117.07018	10.8
118.06554	18.3
119.08575	14.5
121.06536	4.6
121.10168	12.4
123.04430	7.1
123.08073	7.9
123.11720	7.3
125.06004	7.4
125.09618	2.8
127.03944	6.5
128.06171	3.7
129.06973	4.6
130.06535	65.8
131.04947	3.4
131.08580	12.8
132.08124	11.8
133.06464	5.9
133.10109	11.1
135.04422	11.1
135.08066	4.2
135.11688	4.4
137.05988	16.7
137.09618	4.5
137.13240	2.9
139.07574	2.5
139.11115	2.3
141.06976	14.0
142.06555	6.4
142.07776	3.9
143.04945	4.7
143.08577	6.7
144.08131	11.9
145.02846	6.5
145.06502	3.1
145.10141	11.2
146.06020	44.9
147.04430	5.9
147.08014	4.0
147.11676	10.7
149.09615	2.7
151.07547	31.9
151.11229	4.0
152.06212	4.9
153.05489	8.3
153.06764	2.3
155.04897	3.1
157.06458	3.4
157.10089	16.0
159.08075	3.7
159.09189	34.5
159.11584	5.2
160.05209	26.4
161.02367	3.4
161.05986	87.4
161.09662	3.3
161.13237	4.7
163.03905	99.2
163.11160	4.6
165.07068	3.2
165.09093	3.9
167.08543	12.6
169.06534	7.6
169.10086	3.5
170.06024	22.0
171.08112	5.1
171.11688	5.1
173.05954	20.5
173.09697	3.3
173.13226	5.9
175.03908	12.0
175.07599	7.8
175.11200	3.6
177.05461	6.5
177.09128	7.6
177.12712	2.8
179.08545	4.9
184.05241	6.7
185.05737	5.0
185.07297	15.0
185.09619	10.7
187.07538	11.1
187.14798	3.6
188.07065	89.2
189.01849	3.1
189.05446	7.7
189.07526	3.7
189.09116	91.3
189.16417	2.7
191.10654	2.9
193.08810	2.6
195.08043	15.4
197.05875	2.9
197.09763	3.5
198.06837	3.4
201.09036	3.1
203.07069	7.0
203.10670	5.0
205.09734	20.9
205.12291	3.3
207.02879	5.2
207.44029	2.6
213.09111	34.8
215.06996	58.3
215.10497	4.8
215.14334	3.7
217.08609	37.7
223.07419	3.3
231.07578	7.1
231.10162	15.6
233.15172	2.6
241.08598	11.6
259.09653	100.0
261.18237	3.0
281.03812	2.3
289.17886	3.4
298.77686	2.4
301.07318	2.9
381.27896	2.5
399.16956	9.9
399.28925	8.3
409.27240	5.5
417.18161	31.5
417.29904	7.9
427.28293	6.8
445.17352	3.3
445.29510	7.8
463.28619	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77748	1.5
53.03937	2.6
53.89021	1.6
55.01876	4.0
55.05505	7.4
57.03432	4.1
67.05511	9.2
69.03427	4.4
69.07066	11.9
69.50970	13.6
71.01331	3.2
71.04964	2.9
79.05505	12.7
81.07064	12.5
83.01335	2.3
83.04966	5.5
83.08624	1.6
85.02885	2.6
89.03899	2.4
91.05477	8.9
93.07031	8.8
95.04977	3.5
95.08604	13.7
97.06538	32.2
97.10143	4.7
101.66938	2.2
103.05434	3.4
105.07033	8.5
107.04920	2.4
107.08590	7.4
109.06482	2.2
109.10165	8.6
112.02544	1.9
115.05444	12.0
117.03397	2.4
117.07006	7.5
118.06563	11.7
119.08557	5.4
121.10126	5.1
123.04420	7.8
123.08091	3.1
123.11738	4.2
125.06011	3.2
127.03918	2.7
128.06244	12.0
129.07018	16.0
130.06554	24.7
131.04895	2.7
131.08585	7.2
132.08083	9.9
133.10162	3.5
135.04465	3.9
135.11702	3.5
137.05981	4.6
141.06989	19.1
142.06557	2.8
142.07811	5.2
143.04938	2.9
143.08569	13.9
144.08083	9.1
145.06476	3.3
145.10141	4.8
146.06012	33.4
147.04405	5.6
147.08040	2.6
149.06058	2.3
151.07614	3.2
152.06210	11.2
153.06943	3.1
154.07765	3.1
156.05676	3.7
157.06517	19.1
157.10126	9.7
159.08086	2.8
159.09201	21.6
159.11699	2.9
160.05214	14.6
161.05989	100.0
161.09621	2.7
161.13240	2.2
163.03909	40.9
163.11145	2.6
165.07101	4.2
167.07237	4.0
167.08562	31.8
169.06483	17.3
169.07710	2.9
169.10159	6.8
170.06027	6.6
170.07301	2.5
171.08067	13.5
173.05997	25.7
174.06776	21.4
175.03941	7.1
175.07564	31.8
175.11105	2.4
176.04727	3.3
177.05470	5.1
177.09178	3.0
181.05020	2.5
181.06499	5.8
184.05156	13.0
185.05864	17.4
185.09607	11.4
187.07558	26.5
188.07076	73.4
189.05475	5.4
189.07388	4.0
189.09119	47.6
191.10770	2.5
195.08072	43.4
197.05991	12.7
197.09628	7.5
198.06808	9.4
199.05948	5.6
199.07578	11.7
200.04700	5.3
201.05417	2.3
202.06479	2.1
203.07040	56.2
203.10646	2.2
205.09749	20.3
212.04713	2.5
213.05739	4.6
213.09122	69.4
215.07045	87.7
215.10548	28.8
216.07570	2.4
217.08614	43.8
223.07536	5.7
223.09566	2.4
226.06296	8.1
231.07819	2.6
231.10109	20.2
237.11276	2.3
241.08614	26.8
259.09674	90.0
365.13666	2.3
399.17056	5.0
399.28815	2.7
417.18158	9.2
417.29932	3.1
427.28714	2.9
434.84583	2.2
445.29321	6.8
463.19043	2.9
463.26819	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	463.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
53.57882	0.3
55.01878	1.4
55.05503	0.8
57.03449	0.6
61.02929	0.7
67.05510	0.7
68.99789	0.6
69.03439	3.7
69.07069	0.5
69.32769	3.1
71.04971	0.4
73.02930	1.0
77.03937	0.8
79.05495	0.6
81.03423	7.6
81.07036	0.9
83.40288	0.4
85.02911	10.6
87.00833	2.2
91.05455	0.4
93.07059	0.8
95.04967	2.3
95.08611	0.9
97.02911	2.9
97.10197	0.4
99.04458	1.4
105.01926	2.6
105.03399	28.4
105.07006	0.5
107.08602	0.6
109.02881	5.1
109.10153	0.5
112.52634	0.3
117.01879	0.7
119.08617	0.4
121.10143	0.7
127.03930	9.9
133.10155	0.5
137.02348	93.3
137.09575	0.4
137.89610	0.3
138.02695	0.8
138.75424	0.3
145.04971	3.6
145.10074	0.4
147.02803	0.5
151.07513	0.8
155.03401	0.9
159.02902	3.7
159.11644	0.4
165.09201	0.4
166.00233	0.3
185.15082	0.3
213.04039	0.6
215.07043	100.0
216.07372	2.5
231.05081	1.8
427.28455	0.7
445.29221	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1446
Annotation	Saccharumoside C
Peak:m/z	Relative Intensity
52.00971	2.5
55.01864	6.0
55.48509	2.6
57.03434	4.5
60.89813	2.6
67.05499	4.7
69.03414	6.8
71.33394	5.2
79.05500	4.2
81.03425	3.4
85.02908	14.5
87.83436	3.2
91.05443	3.4
95.04949	3.1
97.02896	9.9
104.06534	3.4
107.08609	3.8
115.03926	5.5
121.10201	4.1
123.04435	9.4
127.03931	8.5
137.02333	5.6
137.05917	4.0
137.09596	3.4
146.24353	2.8
147.04390	4.5
150.25876	2.9
151.03906	17.1
153.01839	9.2
163.03926	5.4
169.04985	100.0
175.03964	2.9
181.04938	12.8
193.05017	30.3
197.11644	3.0
203.03467	6.8
205.04921	4.2
211.06015	24.7
219.06500	5.1
233.05998	3.4
235.05820	3.6
247.06079	4.9
250.69479	3.5
265.07080	13.9
283.08173	4.4
297.03934	4.9
301.06876	3.1
313.03439	4.8
343.04492	36.4
353.72095	3.1
377.17709	4.7
385.06015	3.8
419.18774	9.9
421.05746	5.5
463.07520	4.1
463.17661	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	463.1237
Annotation	LMPK12111174
Peak:m/z	Relative Intensity
51.73259	1.6
53.03949	2.2
55.05496	4.2
57.03442	4.4
58.17764	1.2
59.63426	1.5
60.45609	1.3
63.07607	1.4
67.05499	3.5
69.03429	4.7
69.07069	3.4
69.38959	1.1
69.39297	11.7
71.04636	2.5
71.04995	27.2
73.02932	1.7
79.05496	1.9
81.03406	3.9
81.07040	5.6
83.04980	2.5
85.02915	36.8
85.06534	1.7
86.03236	1.5
87.00803	1.7
91.05482	1.9
93.07036	2.0
95.08612	6.5
97.02889	3.2
99.04473	1.5
105.07049	2.9
107.08615	3.0
109.02856	2.9
109.10151	3.5
111.04443	3.3
119.08640	3.2
121.02844	1.3
121.10154	3.5
123.08075	5.0
123.11716	1.9
127.03900	3.0
129.05484	7.4
131.08571	1.6
133.10106	2.0
137.06015	1.8
139.03926	1.8
146.01242	1.4
147.04410	4.0
151.07545	23.7
153.01843	8.2
168.86380	1.4
193.63875	1.3
196.17847	1.5
228.04149	2.1
229.04961	3.7
246.05286	2.1
258.05206	3.2
273.04150	1.9
274.04819	2.9
285.03949	7.5
286.04800	9.2
301.03891	1.0
301.07053	28.5
302.04190	12.4
317.06577	100.0
318.07047	1.8
320.87790	1.4
418.70880	1.5
427.10358	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.2
55.01873	5.1
55.05518	37.1
57.07079	58.8
65.88839	4.0
67.05508	22.9
69.07068	58.0
70.87832	7.1
70.88173	5.4
71.04991	4.8
71.08631	47.0
79.05476	18.4
81.07061	93.2
83.04974	7.5
83.08627	45.5
85.04108	3.4
85.10195	28.1
91.05475	11.3
93.07050	22.9
95.08617	76.4
97.10175	31.2
98.21463	4.2
99.04455	14.7
105.07037	15.8
107.08591	21.0
109.06512	15.0
109.10162	32.7
111.04441	12.0
111.11741	18.3
117.07013	4.2
118.71267	3.7
119.08565	13.1
121.10161	11.2
123.11716	19.6
125.05984	12.8
125.13271	10.9
127.03903	28.2
131.08566	11.1
133.10112	7.7
135.08067	4.5
135.11682	7.8
137.05984	100.0
137.13257	7.6
145.10152	19.0
147.11699	4.9
149.06026	6.5
149.09637	10.2
149.13271	5.3
151.07541	28.6
151.11200	4.1
151.14838	8.6
157.10118	6.5
159.11707	42.7
161.09654	6.9
163.07620	9.2
163.11212	6.7
163.14882	4.0
165.09166	12.3
167.07030	16.0
169.10158	7.6
171.11755	5.0
172.08839	11.5
173.09633	79.5
173.13292	5.8
175.11192	13.8
177.09158	13.3
179.07016	7.2
183.06462	6.0
187.11191	64.2
189.09000	4.2
189.12756	4.1
191.10712	13.8
193.08650	13.1
201.09209	4.7
201.12796	9.9
203.10614	5.5
205.12241	32.8
215.10744	6.9
217.12122	5.0
219.13725	6.2
229.15874	5.3
277.28940	8.7
317.32104	4.2
335.33038	5.9
360.37894	4.1
383.33093	63.5
397.34644	25.8
401.34177	60.4
425.33975	17.2
443.35184	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	461.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.3
55.01877	2.7
55.05510	34.5
57.07077	69.5
67.05509	20.4
69.07068	62.4
70.78075	2.6
70.78687	8.1
71.04989	4.6
71.08633	45.8
72.93774	2.9
76.96953	2.9
76.98832	2.6
79.05489	21.3
81.07058	89.6
83.04982	10.5
83.08614	38.7
84.70744	2.9
85.10181	21.5
87.57674	2.7
88.06818	2.7
91.05492	10.4
93.07053	15.3
95.08605	71.4
96.09959	2.7
97.06516	2.9
97.10173	23.9
99.04456	13.3
105.07018	18.1
107.08623	21.1
109.06525	15.2
109.10144	36.4
111.04436	6.9
111.11701	17.5
115.12154	2.8
117.07041	6.6
119.08598	13.5
120.92998	2.5
121.06575	4.0
121.10115	16.3
123.08086	9.3
123.11704	17.9
125.05994	7.9
125.13291	7.4
127.03929	24.9
129.07074	3.1
130.07751	4.1
131.08562	11.7
133.06512	4.1
133.10138	7.1
135.08028	7.7
135.11708	10.9
137.05978	100.0
137.13239	5.9
143.08580	4.2
145.10129	19.5
146.10466	2.8
147.08041	3.4
147.11684	6.6
149.09639	6.6
149.13225	5.6
151.07558	27.3
151.14845	5.5
155.08586	4.7
157.10162	8.6
159.08144	5.6
159.11699	39.8
161.13228	5.9
163.07576	5.9
163.11214	7.2
163.14864	3.8
165.09135	7.3
165.16516	3.9
167.07039	12.8
169.10162	4.8
171.11736	7.7
172.08836	10.5
173.09628	75.8
173.13258	7.1
175.11169	17.8
175.14680	3.7
177.09154	10.6
177.12791	3.9
179.07121	10.5
185.13248	4.6
187.11182	57.0
187.14845	4.3
189.12735	4.5
191.10670	12.2
193.08636	10.3
201.12805	8.7
205.12236	31.8
207.10193	3.0
211.14894	4.4
215.10620	6.7
215.14337	3.7
217.12236	4.5
219.13802	11.6
229.12337	8.5
229.15913	5.6
243.17392	3.2
245.15445	4.0
257.19009	3.8
277.28943	6.9
289.29251	3.1
317.32281	3.6
335.33044	10.1
355.29752	3.7
383.33096	67.9
397.34671	24.0
401.34155	48.2
425.34088	11.8
443.35556	22.9
461.32742	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	461.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.05516	3.7
57.03432	0.6
57.07073	0.5
67.05505	6.3
69.03426	0.8
69.07079	3.2
69.52187	1.9
69.52604	0.8
71.05007	0.6
73.81047	0.4
77.03944	0.3
79.05487	2.2
81.03402	0.5
81.07061	8.9
83.04964	1.5
83.08603	1.3
85.02913	0.7
85.06526	0.9
91.05481	1.9
93.07041	3.5
93.97871	0.3
95.04978	1.2
95.08611	9.8
97.06547	0.7
97.10173	2.7
98.21523	0.6
99.04432	0.4
99.08084	0.6
101.06021	0.6
105.07024	2.6
107.04964	1.0
107.08599	2.8
109.02895	0.7
109.06525	1.2
109.10155	7.2
111.08073	0.6
111.11723	0.6
115.05451	0.4
117.07042	0.7
119.08581	4.7
121.06491	0.8
121.10139	2.3
122.07300	1.7
123.08080	2.5
123.11702	1.3
125.05962	0.4
125.09603	0.7
127.03917	0.9
129.06970	0.4
131.08568	0.9
133.10132	1.5
135.08035	1.3
135.11641	1.0
137.05995	1.0
137.09612	10.3
137.13269	0.6
141.09065	1.0
143.08627	0.6
143.10690	0.6
145.10107	1.1
147.08009	0.7
147.11710	0.9
149.09605	2.9
149.13272	0.7
151.07544	11.7
151.14844	0.5
153.05457	0.7
157.10194	0.5
159.08066	0.5
159.11705	1.3
161.09583	0.9
161.13251	0.6
162.06749	0.4
163.07532	0.6
163.11169	0.9
165.09122	100.0
166.09470	0.7
167.07072	0.6
173.09598	1.0
173.13240	0.8
175.07581	0.6
175.11230	0.9
177.09120	3.4
179.10732	0.7
187.11143	0.9
187.14806	0.5
189.09109	0.4
189.12779	0.7
191.10684	4.6
193.08614	0.6
195.17491	0.5
201.12802	0.5
203.14359	0.4
205.12247	6.1
219.13794	0.4
222.44604	0.4
271.16904	0.4
307.60513	0.4
309.24274	0.8
316.48911	0.4
397.27222	0.8
415.28033	0.6
425.26846	1.3
443.27979	1.6
461.28140	1.5
461.33417	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.0
55.01865	1.3
55.05513	7.6
57.03428	1.3
57.07077	1.4
67.05174	0.7
67.05515	12.6
68.99804	0.7
69.03427	3.9
69.07076	6.8
70.90427	0.9
70.90756	1.1
71.04973	1.4
79.05486	6.9
81.03420	2.2
81.07069	17.1
83.01344	1.0
83.04984	1.9
83.08635	2.6
85.02936	3.4
85.06548	1.6
86.09747	0.7
87.00795	0.8
91.05483	4.4
93.07059	7.7
95.04962	2.5
95.08616	24.8
97.02914	1.8
97.06532	1.9
97.10165	6.3
98.97589	1.3
99.04440	1.1
99.08097	0.8
105.07048	6.6
107.04945	1.1
107.08607	7.6
109.02895	1.3
109.06535	2.3
109.10170	10.0
111.04430	1.2
111.08102	0.8
116.10561	0.7
117.07055	1.6
119.08599	5.1
121.06528	1.8
121.10164	6.1
123.04456	0.9
123.08080	15.2
123.11706	4.0
125.05952	1.6
125.09633	2.3
127.03963	3.5
129.07024	1.0
131.08572	2.0
133.06471	0.8
133.10133	3.6
135.08105	5.2
135.11671	3.9
137.05992	3.3
137.09587	4.0
137.13281	1.5
139.07605	1.2
139.11150	0.7
141.09119	1.4
143.08594	1.5
143.10718	1.5
145.10152	3.1
147.08034	1.0
147.11687	2.8
149.05910	0.7
149.09630	2.7
149.13249	2.1
151.07559	100.0
151.14861	0.8
152.07851	1.0
153.05490	1.6
153.09116	1.3
155.08507	0.8
157.10152	1.5
159.08073	1.2
159.11731	2.3
161.09637	2.7
161.13271	1.2
163.07558	2.8
163.11200	1.0
163.14803	0.8
165.09138	19.9
169.10214	0.9
171.11690	1.4
173.09627	2.4
173.13266	1.1
175.07541	1.2
175.11131	3.2
175.14830	1.1
176.08405	0.7
177.09116	4.6
177.12769	0.8
177.16422	1.1
179.10675	1.1
185.13249	1.0
187.11276	1.0
189.04095	0.7
189.09187	2.1
189.12820	1.7
191.10689	14.8
195.13832	1.0
195.17410	0.9
197.13235	0.8
201.12781	0.9
203.10585	0.8
205.12270	3.3
207.13831	1.4
213.09088	2.0
213.12794	0.7
217.12177	1.1
217.15843	0.8
219.13828	0.8
223.16951	0.8
233.15486	0.7
247.16878	0.9
257.15356	0.7
257.19177	0.7
273.18619	0.8
281.17603	1.6
287.23865	1.1
289.17987	0.8
293.24728	1.1
305.24835	2.5
323.25870	0.8
360.93701	0.7
425.26001	1.2
425.30667	2.5
440.18646	0.8
443.26712	1.1
443.31552	2.9
461.16776	1.1
461.28510	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3264
Annotation	Stoloniferone G
Peak:m/z	Relative Intensity
53.03942	4.5
53.54121	3.9
55.01866	5.7
55.05520	23.2
57.03430	8.6
57.07070	8.3
60.09097	4.1
65.03930	7.0
67.05508	52.6
69.07068	23.2
69.47897	14.7
69.48325	18.9
73.17069	4.6
79.05499	41.4
79.12864	4.8
81.07063	73.1
83.08614	13.1
85.06544	8.0
91.05479	47.9
93.07056	42.7
95.04976	5.3
95.08604	39.8
97.01061	4.4
97.06515	8.4
97.10191	5.4
102.46281	4.2
105.07025	38.8
107.08568	21.9
107.45030	4.3
109.06525	5.6
109.10167	20.8
117.07009	24.5
119.08582	36.6
121.10158	20.7
129.06995	16.5
131.08572	42.1
133.10124	26.3
135.08092	5.5
135.11676	9.0
137.13292	4.4
141.06990	4.9
142.07866	4.3
143.08521	16.4
145.10139	28.6
147.04411	17.7
147.08084	4.4
147.11720	13.3
151.07526	6.1
155.08554	10.3
157.10127	19.2
159.11728	22.7
161.09564	6.6
161.13248	12.8
167.07037	8.6
169.10135	13.3
171.11656	21.7
173.13254	12.1
183.10199	6.7
183.11726	13.2
185.13281	15.2
187.14815	10.3
197.13304	6.6
199.14867	9.3
211.14819	6.2
213.16446	10.7
227.17986	5.4
259.20764	4.8
285.22214	7.3
335.25812	13.0
351.26810	25.0
369.27927	84.3
377.26703	11.6
387.28925	5.2
425.30292	5.4
443.31696	46.4
461.32791	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3264
Annotation	Polyporusterone E
Peak:m/z	Relative Intensity
55.05514	11.0
57.07079	6.6
58.74056	2.3
65.03927	2.1
67.05502	7.2
69.07083	14.9
69.42561	12.8
71.04990	5.7
71.08625	2.9
73.06555	6.6
73.23534	2.3
76.71687	1.7
77.38311	1.6
79.05507	4.5
81.07051	18.0
82.17476	1.9
83.04980	3.9
83.08630	6.6
83.38303	1.7
85.06551	5.2
91.05492	4.5
93.07048	12.4
93.88747	2.1
95.08614	14.8
95.63492	1.9
97.06538	2.2
97.10181	3.5
98.21499	3.2
100.36353	1.8
105.07025	4.6
107.08595	6.0
109.10167	9.8
111.11731	2.2
119.08621	3.9
121.06522	2.7
121.10165	3.2
123.11710	6.1
133.10091	2.5
135.11726	2.6
137.13292	2.2
139.07535	3.7
141.04474	1.8
143.45564	2.4
145.10156	2.6
149.06027	5.7
149.13235	2.5
151.07558	7.6
154.85075	2.0
159.11742	2.9
161.06049	3.6
161.09616	2.7
165.09128	2.1
167.07057	100.0
175.07594	4.6
177.09193	2.5
179.07077	5.8
187.53856	1.9
189.09174	8.6
193.08670	4.0
201.09155	3.5
205.08620	5.8
205.12291	2.7
207.10185	7.3
293.27768	1.7
328.68121	1.6
359.25958	2.7
387.25143	4.5
415.31900	2.2
425.30106	3.3
443.31601	16.3
461.32666	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	461.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	9.4
55.01871	6.6
55.05515	30.4
57.03431	8.5
57.07085	2.7
65.03938	6.3
66.99714	1.9
67.05507	85.8
69.07066	20.5
71.01353	3.6
71.04996	5.8
71.56849	2.9
73.06555	2.8
76.82894	1.7
79.05495	100.0
81.03420	15.3
81.07059	58.5
83.04986	14.8
83.08617	7.4
85.06541	4.1
91.05484	77.9
93.07050	90.2
95.04979	26.4
95.08612	31.9
97.02892	2.2
97.06535	11.6
97.10169	13.0
99.08113	3.0
103.05489	2.1
105.04492	2.6
105.07037	42.2
107.04977	9.7
107.08596	45.0
109.06517	6.4
109.10139	11.2
111.08114	3.6
115.05488	3.0
117.07022	17.2
117.36668	1.8
119.08598	25.6
121.06503	2.4
121.10161	9.7
123.08085	5.9
123.11714	2.8
125.09650	2.6
128.06274	3.7
129.07028	14.3
130.07811	2.8
131.08592	5.9
133.06514	2.8
133.10115	11.3
135.08060	4.5
135.11697	39.8
143.08582	7.0
145.10147	17.5
147.08096	3.8
147.10608	3.2
147.11690	27.5
157.10086	2.2
159.11670	2.4
161.09657	6.1
161.13260	11.0
163.11197	6.8
165.09160	1.9
167.07042	22.8
171.11722	24.3
179.14284	1.8
181.12320	5.4
189.12703	8.8
207.13820	28.7
225.14848	3.1
281.17462	2.6
443.28110	3.9
461.29053	60.8
461.35187	3.9
462.29654	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.4
57.03425	1.2
57.07056	0.7
60.86381	0.3
65.03939	0.7
65.73488	0.2
66.05115	0.3
67.05493	1.2
67.40168	0.2
69.07079	1.7
69.94034	0.3
69.94382	1.0
69.94795	0.5
72.98923	0.2
79.05481	0.9
81.07055	1.5
83.08617	1.1
89.73447	0.3
91.05485	8.0
93.07019	0.9
95.08584	0.9
97.06509	0.4
97.10185	0.6
98.20741	0.3
107.08569	0.4
109.10165	0.3
119.04949	21.1
121.10120	0.9
123.11713	0.3
135.11705	0.6
147.04414	100.0
148.04732	1.0
149.13203	0.4
165.05463	2.3
185.05972	0.4
245.79269	0.3
461.29126	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	461.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	8.5
54.16666	3.0
55.01861	5.3
55.05523	31.1
57.03427	9.4
57.07067	7.7
65.03939	4.3
67.05512	85.4
69.03409	4.6
69.07081	24.6
70.04862	9.7
70.05271	6.5
71.01347	3.3
71.04984	9.3
73.02914	3.9
79.05503	100.0
81.03426	19.2
81.07066	78.6
83.04980	18.2
83.08615	16.0
85.06561	8.6
91.05486	65.0
93.06473	5.8
93.07050	87.5
95.04973	23.1
95.08618	49.4
97.02885	4.3
97.06517	15.1
97.10161	12.1
105.07040	40.6
107.04966	6.1
107.08604	43.6
109.06532	8.6
109.10146	19.3
115.05435	3.4
117.07003	17.0
119.08585	29.9
121.06555	4.0
121.10155	11.6
123.08086	4.7
123.11716	3.5
129.07028	13.2
131.08582	7.1
133.10139	15.4
135.11705	32.2
137.43219	3.7
143.08551	9.4
145.10144	17.5
147.08037	4.3
147.11713	31.9
149.13286	8.4
159.11964	3.6
161.09624	5.7
161.13301	13.2
163.11211	8.5
171.11752	23.0
173.11798	4.0
181.12202	5.0
189.12779	10.7
207.13837	27.5
225.14885	6.1
299.26007	5.4
334.31076	11.7
428.88531	3.4
443.36423	11.1
461.28934	69.5
461.37344	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	461.29
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.9
53.03956	9.3
54.29546	1.0
55.01864	3.3
55.05262	1.4
55.05513	26.6
57.03441	7.6
57.07078	1.2
60.48000	1.1
65.03929	5.3
67.05508	81.7
69.03425	1.5
69.06716	1.6
69.07070	17.3
70.63083	2.4
71.01343	3.7
71.04988	4.6
73.06551	2.0
77.03911	1.8
77.68526	1.1
78.71930	1.1
79.05498	100.0
81.03423	12.3
81.07062	50.1
81.10579	1.0
83.04985	17.2
83.08630	7.5
85.06548	4.0
85.39983	1.2
91.05486	63.1
93.07053	81.7
95.04975	25.1
95.08614	24.8
97.06525	15.9
97.10165	8.7
103.05443	1.2
105.04523	3.9
105.07037	39.6
107.04967	7.4
107.08604	40.0
109.06507	6.1
109.10163	8.3
111.08060	2.3
115.05492	1.5
117.07032	11.4
119.08587	24.0
121.06516	3.1
121.10150	8.8
123.08062	5.1
125.09647	2.6
127.07600	2.0
128.06236	3.0
129.07014	14.0
130.07784	1.9
131.08574	3.3
133.06454	1.1
133.10153	12.0
135.08092	1.4
135.11707	40.4
137.09615	2.7
143.08559	8.2
145.10133	15.7
147.08058	2.9
147.11702	31.0
151.11125	1.4
153.12756	1.8
154.56157	1.2
159.11717	1.3
161.09665	3.5
161.13252	13.3
163.11208	6.2
165.09102	1.4
171.11693	27.3
179.14355	2.1
181.12271	7.8
189.12759	13.1
207.13806	34.4
219.93349	1.2
225.14830	5.4
237.14926	1.1
254.83588	1.3
255.15923	1.3
281.17419	3.0
453.58771	1.1
454.53113	1.2
461.28995	65.7
462.29333	2.3
463.77713	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50341	0.1
53.03953	0.1
55.05516	2.1
57.03444	1.0
57.07075	0.7
60.61921	0.1
65.03934	0.8
67.05507	1.7
69.07070	2.1
70.54844	0.3
71.08617	0.2
72.11155	0.1
79.05501	0.8
81.07065	2.3
83.08620	1.3
88.41859	0.1
91.05487	8.0
93.07050	1.1
95.05017	0.2
95.08616	1.4
95.25196	0.1
96.44248	0.1
97.06550	0.3
97.10174	0.5
98.20794	0.1
107.08600	0.5
109.10163	0.5
119.04951	19.7
120.05278	0.2
121.10165	0.7
123.11719	0.2
135.11694	0.4
147.04419	100.0
148.04744	1.1
149.13274	0.3
159.08009	0.1
165.05484	2.8
174.37386	0.1
210.14978	0.1
212.32133	0.1
221.08061	0.2
334.30981	0.4
443.36337	0.4
461.28873	2.4
461.37256	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	461.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23684	2.0
53.03944	1.9
55.05516	9.6
57.07083	3.6
67.05495	5.2
69.03431	15.5
69.07069	22.2
71.05003	3.3
71.29945	3.5
73.02912	1.8
73.57175	1.5
79.05488	7.4
81.03419	5.6
81.07058	18.1
83.08611	5.3
85.02919	13.1
85.06525	6.8
85.71718	1.9
87.00808	7.6
91.05494	3.8
93.07074	10.7
95.08617	33.0
97.02888	7.2
97.06507	3.1
97.10155	3.6
99.04449	3.4
99.08096	10.1
105.01874	6.9
105.07036	4.0
107.08604	27.5
109.02856	5.3
109.06528	1.8
109.10141	13.2
111.08076	4.2
111.11716	3.5
121.09309	3.3
121.10145	44.0
123.11734	2.7
125.09632	32.8
127.03899	6.2
135.11717	10.1
137.13266	18.7
139.11176	4.9
149.13232	6.6
151.07587	2.4
159.02867	2.0
165.09129	3.0
177.09070	1.9
177.16397	100.0
178.16672	2.3
194.35083	1.7
195.17458	46.0
211.16917	2.4
213.18529	30.5
269.92343	1.8
373.28110	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	8.7
55.05520	49.6
57.03439	12.6
67.05503	45.0
69.03429	29.8
69.07072	20.1
70.73036	19.4
71.04973	9.8
79.05497	43.5
81.03421	18.9
81.07064	44.9
83.04981	22.1
85.02906	27.3
91.05474	40.3
93.07036	40.5
95.04958	10.2
95.08611	46.4
96.05934	6.3
97.02927	7.3
97.06499	10.1
97.10193	37.4
99.04499	7.9
105.07030	29.5
107.08585	20.1
108.18067	7.2
108.38876	6.2
109.02901	18.8
109.10180	15.6
119.08582	18.2
121.10116	12.3
123.08041	9.4
123.11666	11.6
125.05949	9.6
125.09624	10.6
127.03954	43.3
129.07051	12.2
133.10158	10.4
137.06018	10.2
143.08533	7.7
143.10612	8.3
145.10124	14.0
147.11655	18.5
151.07558	23.9
153.05457	7.7
159.11685	11.3
161.09618	7.5
165.09114	47.1
171.11667	13.1
177.09079	11.0
189.04103	6.6
191.10744	15.9
193.57765	6.9
205.12225	14.3
207.13797	9.6
211.18494	6.4
229.72235	7.3
281.17517	100.0
334.43900	6.7
443.28018	10.4
461.28644	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	461.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	14.6
55.01878	7.0
55.05310	2.5
55.05520	22.2
57.03433	9.1
58.57231	3.0
65.03935	3.6
67.05507	40.0
67.65760	3.2
68.99778	5.3
69.03435	35.3
69.07072	13.2
69.30620	24.1
71.04991	7.7
72.45540	2.9
77.01595	3.0
79.05501	41.7
81.03426	44.0
81.07066	31.6
83.04990	10.1
83.08630	7.8
85.02420	4.9
85.02912	63.1
85.06535	6.5
87.00837	8.8
88.02129	2.7
91.05483	44.5
93.07052	44.8
95.04971	14.3
95.08615	39.4
97.02880	15.1
97.06554	3.7
97.10191	13.4
99.04468	16.8
105.07058	30.3
107.04959	7.4
107.08602	19.9
108.05679	3.1
109.02883	37.7
109.06522	4.9
109.10192	19.8
110.91359	3.4
111.04434	6.2
117.06995	4.4
119.08586	20.3
121.06467	3.4
121.10186	7.9
123.08069	14.2
125.09637	4.9
127.03935	81.6
129.07005	12.5
131.08589	5.3
133.06531	3.5
133.10147	12.5
135.11623	5.3
137.09622	12.7
138.09782	3.5
139.07542	3.6
141.09050	5.4
143.08580	6.1
145.04895	4.1
145.10153	8.8
147.11690	28.5
148.93068	3.4
149.09674	4.5
151.07553	54.2
153.44374	3.7
161.09633	7.2
161.13223	4.7
165.09138	100.0
167.07079	3.8
171.02924	5.9
171.11691	17.7
177.09073	6.8
179.08435	4.1
187.06020	4.9
189.03961	6.5
189.12769	10.4
191.10680	16.0
205.12207	6.0
207.13826	48.2
213.03947	11.8
231.04930	4.9
281.17526	40.8
305.17438	5.2
325.83484	3.0
339.07098	3.8
351.18002	9.7
425.27017	4.7
443.27814	5.4
486.04099	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	461.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23684	2.0
53.03944	1.9
55.05516	9.6
57.07083	3.6
67.05495	5.2
69.03431	15.5
69.07069	22.2
71.05003	3.3
71.29945	3.5
73.02912	1.8
73.57175	1.5
79.05488	7.4
81.03419	5.6
81.07058	18.1
83.08611	5.3
85.02919	13.1
85.06525	6.8
85.71718	1.9
87.00808	7.6
91.05494	3.8
93.07074	10.7
95.08617	33.0
97.02888	7.2
97.06507	3.1
97.10155	3.6
99.04449	3.4
99.08096	10.1
105.01874	6.9
105.07036	4.0
107.08604	27.5
109.02856	5.3
109.06528	1.8
109.10141	13.2
111.08076	4.2
111.11716	3.5
121.09309	3.3
121.10145	44.0
123.11734	2.7
125.09632	32.8
127.03899	6.2
135.11717	10.1
137.13266	18.7
139.11176	4.9
149.13232	6.6
151.07587	2.4
159.02867	2.0
165.09129	3.0
177.09070	1.9
177.16397	100.0
178.16672	2.3
194.35083	1.7
195.17458	46.0
211.16917	2.4
213.18529	30.5
269.92343	1.8
373.28110	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.0
67.05529	3.1
69.03424	5.9
69.07045	7.5
70.88528	7.4
79.05485	5.1
81.07055	12.2
82.32809	3.1
83.08612	8.1
85.02904	8.2
85.06530	3.6
93.07036	12.4
95.08628	24.9
97.02908	3.8
97.10194	4.2
99.08085	15.5
105.01855	5.9
107.08595	25.1
109.10165	5.3
111.08090	6.9
118.36469	4.2
119.04548	2.9
121.10147	39.1
125.09700	5.2
127.03901	3.7
135.11664	8.6
137.13277	5.2
177.16403	100.0
195.17482	27.7
213.18518	30.8
228.22791	3.4
261.05328	2.9
471.72235	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	461.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	11.4
69.07059	11.6
71.11723	11.3
71.12085	8.5
73.17831	5.6
74.50488	6.0
81.07059	19.1
83.08627	5.9
85.02888	8.1
85.06537	10.3
91.21208	6.1
93.07044	12.4
95.08585	28.5
99.08094	10.6
107.08617	27.9
109.10161	7.9
121.10159	45.4
124.22940	5.4
125.09645	18.1
126.83681	5.7
135.11655	10.8
136.65312	7.0
137.13225	18.7
151.07487	6.4
177.16380	100.0
195.17532	28.3
213.18486	14.1
307.04550	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	461.217
Annotation	[3aR-(3aalpha,4alpha,6beta,8alpha,8aalpha,9aalpha)]-8-(Acetyloxy)-2,3,3a,4,6,7,8,8a,9,9a-decahydro-5,8a-dimethyl-3-methylene-6-(2-methyl-1-oxopropoxy)-2-oxonaphtho[2,3-b]furan-4-yl ester 2-methyl-2-propenoic acid
Peak:m/z	Relative Intensity
53.03935	0.6
55.01870	1.8
55.05261	0.6
55.05514	6.9
57.03433	0.5
57.07074	1.4
59.05011	0.5
60.67303	0.4
65.03957	0.7
67.01846	0.8
67.05506	6.2
68.99803	4.1
69.07076	5.4
69.82979	1.4
69.83386	0.9
71.04991	1.2
71.08627	0.5
79.05498	6.2
79.26758	0.4
81.03419	1.7
81.06577	0.6
81.07059	11.1
83.04981	1.3
83.08627	6.4
84.64835	0.4
85.02870	0.5
85.06549	0.8
87.00847	0.9
91.05489	2.5
93.07053	7.1
95.04957	1.3
95.08614	9.4
97.06527	2.2
97.07071	0.4
97.10174	3.7
99.04485	1.1
99.08125	0.5
105.07022	2.2
107.04985	0.5
107.08608	4.8
109.02902	1.6
109.06488	0.5
109.10152	2.3
111.00813	8.6
111.04467	1.2
111.08084	1.3
111.11723	0.5
117.07017	0.6
119.08574	1.6
120.67580	0.3
121.06500	0.7
121.10148	5.7
123.08068	0.6
123.11742	1.0
125.05990	0.7
125.09607	0.5
127.03926	100.0
128.04265	0.4
129.06989	0.6
131.08565	1.9
133.10100	0.5
135.08086	0.8
135.11684	1.3
137.09627	0.6
137.13263	0.5
139.03914	5.2
139.07591	0.7
139.11250	0.5
143.08546	0.5
145.10126	0.9
147.11729	1.2
149.09628	0.6
149.13269	0.7
153.01834	1.8
153.09201	0.5
157.10104	0.6
161.09583	0.6
163.03886	0.4
163.07520	0.7
163.14854	3.3
165.05486	0.5
165.09157	0.6
167.07042	3.2
167.10692	0.5
171.11772	0.6
173.13271	1.3
177.16377	0.5
181.08649	0.7
181.15889	1.3
191.14290	1.0
195.10260	0.5
209.15439	1.9
215.02980	0.4
223.16949	1.8
225.18584	0.7
227.16495	1.6
251.16554	0.5
265.18045	5.0
289.17975	0.8
293.17477	15.4
294.17828	0.7
307.19086	5.9
317.17416	4.0
335.18549	48.4
336.18890	1.0
351.23285	0.5
415.17783	0.6
443.27954	1.1
461.21756	4.7
461.28809	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	12.2
53.22171	1.9
55.01865	8.8
55.05518	4.3
57.03430	5.7
61.02934	4.1
67.05505	8.6
68.99782	8.9
69.03077	3.1
69.03433	45.7
69.07061	6.5
70.85609	3.6
71.04996	9.2
73.02911	5.8
79.05502	4.3
81.03420	56.0
81.07061	8.4
83.01372	1.9
83.04970	7.1
83.08600	2.4
85.02911	76.9
85.06532	2.6
87.00823	22.8
91.05492	3.0
93.07030	5.0
95.04978	2.9
95.08607	13.3
97.02888	23.8
97.10155	2.3
99.04474	21.8
99.08088	6.1
103.03949	4.2
105.01875	7.1
105.07005	4.2
107.04958	3.3
107.08592	6.4
109.02892	46.3
109.10161	4.2
111.04440	5.4
119.08547	3.3
121.10152	7.4
123.04425	6.2
125.02379	4.3
125.09673	2.0
127.03925	100.0
129.01863	3.5
135.11707	5.5
135.86945	1.9
139.03932	2.7
145.04935	6.1
147.02855	2.7
147.04320	1.9
147.48753	2.1
151.03860	4.2
151.07610	2.4
159.02901	2.2
161.05968	2.0
163.03831	2.6
165.05527	2.0
171.02950	12.1
177.16406	19.3
183.43652	1.9
187.05989	2.2
189.03954	14.9
195.17433	6.3
211.16882	2.6
213.03976	16.1
213.18353	3.6
217.05095	2.5
231.05017	6.3
235.05974	4.3
251.53064	2.1
253.07185	3.1
338.43137	2.2
339.07022	5.0
425.07037	2.6
443.08188	3.9
461.09189	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	459.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.1
55.01860	9.3
55.05269	4.3
55.05516	66.5
55.84972	2.7
57.03431	6.4
65.03948	3.5
67.05168	3.6
67.05508	51.4
69.07053	17.0
69.63496	17.5
76.16348	2.6
79.05502	52.4
81.07062	44.2
83.04984	5.2
83.08617	25.7
91.05486	48.2
93.07046	19.6
95.04982	7.3
95.08609	12.8
97.10176	54.8
103.05470	24.3
105.07038	34.2
107.04939	3.9
107.08595	27.7
109.06511	3.9
109.10156	10.4
115.05488	12.7
117.07027	68.4
119.08598	14.0
121.06532	3.6
121.10144	7.6
121.75636	3.7
123.08080	4.1
125.09644	42.3
128.06247	8.9
129.07010	28.6
131.04941	3.9
131.08565	44.6
133.06500	10.3
133.10173	6.5
135.08055	11.8
137.09654	3.8
141.06975	13.4
143.08568	18.1
145.06523	13.7
145.10117	15.2
147.08083	4.0
147.11624	5.0
149.09628	5.8
152.06178	3.0
153.09164	4.8
154.07829	3.0
155.08565	20.2
157.06503	8.8
157.10161	6.5
159.08051	5.8
159.11731	6.3
161.13466	3.1
167.08604	7.0
169.10124	13.1
171.08044	4.5
171.10265	4.4
171.11725	9.3
173.11887	2.8
173.13298	4.8
175.11243	2.9
181.10049	3.6
185.09627	3.8
185.13193	4.1
187.14772	17.2
189.11218	33.8
195.11713	5.7
197.13269	22.7
207.11836	3.3
211.11238	2.9
213.12746	7.0
215.12277	5.6
215.14326	100.0
217.95477	3.1
227.12730	36.9
227.14487	3.2
231.13905	4.7
233.15439	3.0
237.12764	4.2
241.12309	7.1
245.13942	4.5
271.16998	9.1
303.20953	2.8
331.20432	5.0
334.99777	3.0
339.23340	6.1
349.21582	19.0
367.22638	41.2
385.23740	25.0
403.24954	6.4
423.25504	3.2
441.26349	69.3
459.27478	96.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.9
55.01877	8.2
55.05516	32.0
57.03430	5.0
65.03931	2.5
67.05508	42.7
69.03430	3.8
69.07078	12.1
69.41776	11.7
71.04998	2.7
79.05495	35.9
81.03433	12.2
81.07061	34.8
83.05004	7.6
83.08617	11.2
85.06522	3.0
86.35703	1.5
91.05486	42.5
93.07053	24.4
95.04974	22.3
95.08633	13.0
97.06529	4.5
97.10176	15.3
99.45060	1.5
102.57310	1.7
103.05469	3.6
105.07028	30.1
107.04957	10.5
107.08599	23.2
109.06532	5.1
109.10163	16.9
109.82278	1.6
111.08109	3.5
114.06210	1.7
115.05476	3.9
117.07026	20.2
119.04911	2.3
119.07018	1.5
119.08582	11.3
121.06499	6.7
121.10168	4.3
123.04414	2.1
123.08076	4.9
123.11734	2.9
123.20480	1.5
125.09648	13.7
128.06258	6.2
129.07025	11.1
131.04980	1.5
131.08595	21.1
133.06496	6.4
133.10141	21.6
135.04396	2.2
135.08043	7.2
135.11691	5.7
137.05948	3.1
137.09654	3.6
141.06982	4.5
142.07758	2.0
143.08559	9.7
145.06456	11.7
145.10167	8.5
147.08070	7.6
147.11693	5.6
149.09653	4.4
151.11201	9.2
153.09146	3.1
155.08597	7.2
157.06522	4.6
157.10159	6.2
159.08073	8.7
159.11725	3.8
161.05975	1.9
161.09630	6.7
163.11191	4.9
165.09113	2.0
167.08582	2.8
169.10078	7.6
171.08034	3.9
171.10339	2.0
171.11739	4.9
173.09622	3.8
173.13252	1.7
175.11259	4.0
181.10085	3.9
183.11694	2.4
185.09743	2.3
185.13245	3.3
187.11194	2.6
187.14890	4.3
189.11232	10.2
193.12230	5.3
195.11723	3.9
197.13271	7.1
199.11166	3.5
201.12910	1.9
205.12335	2.4
207.11932	2.8
207.13840	2.9
213.12637	2.8
215.14366	16.7
223.16980	1.9
227.12701	4.1
231.13878	2.3
233.15381	4.3
249.15062	2.4
264.76813	1.7
266.69101	1.6
271.16995	2.7
273.15091	2.1
287.16495	4.2
289.14548	1.9
321.22253	1.9
331.20676	2.5
339.23325	6.2
349.21677	8.1
357.24216	6.1
361.20209	2.9
367.22760	35.9
385.23801	47.5
403.24750	7.8
423.25491	2.4
441.26346	15.6
459.27444	100.0
460.27646	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57036	0.8
53.03960	4.9
55.01877	3.3
55.05520	13.7
57.03441	1.8
63.33044	0.7
65.03944	3.8
67.05511	42.8
69.03433	1.9
69.07079	6.9
69.55579	5.3
71.04992	2.0
71.58263	0.8
73.06550	1.0
79.05500	48.9
81.03424	14.7
81.07062	28.5
83.04992	12.2
83.08617	4.9
85.06544	2.6
91.05489	100.0
92.05783	1.0
93.07053	32.4
95.04978	14.8
95.08614	12.4
97.02895	3.3
97.06554	4.8
97.10205	1.2
98.20614	0.8
103.05470	1.5
105.04546	1.3
105.07040	44.4
107.04962	10.3
107.08607	12.3
109.06541	5.7
109.10153	2.9
115.05507	1.9
116.08205	0.7
117.07029	12.4
118.43353	0.8
119.08589	19.0
121.06510	1.8
121.10146	2.4
123.08080	3.1
128.06216	3.8
129.07010	9.6
131.08565	5.3
133.06424	1.4
133.10141	44.6
135.08072	3.5
135.11707	1.1
137.34174	0.9
141.07014	0.9
143.08566	8.1
145.10130	5.6
147.08102	2.3
147.11697	18.4
149.09624	4.9
151.11189	6.5
153.58971	0.8
159.08075	0.8
159.11671	1.3
161.09633	14.3
161.13268	7.2
162.10088	0.9
171.11702	16.1
177.12714	0.8
179.10684	9.7
179.14243	1.1
189.12703	6.0
197.11736	3.7
207.13800	14.8
225.14809	1.4
253.14305	1.1
270.47147	0.8
281.17459	14.8
299.98068	0.8
309.17053	2.7
367.22525	0.9
389.23288	2.2
441.26437	1.9
459.27408	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.3
53.94845	0.9
55.01874	5.6
55.05519	17.9
57.03436	3.0
59.00377	1.3
63.10964	1.2
65.03960	1.9
67.05506	26.4
69.03415	3.1
69.07071	9.4
70.10358	2.4
70.10774	3.9
71.04993	2.8
73.39017	1.2
76.77592	1.1
79.05492	26.5
81.03423	11.0
81.07057	26.6
83.04995	4.9
83.08614	7.8
85.06541	1.6
91.04965	1.8
91.05489	25.5
91.16084	1.0
93.07053	17.1
95.04975	16.4
95.08614	10.3
97.06531	4.4
97.10173	10.7
103.05470	2.4
105.07035	21.9
107.04960	10.2
107.08591	17.8
109.06516	4.9
109.10162	13.3
114.11727	1.2
115.05478	1.1
117.07012	9.8
119.08593	10.4
121.06491	6.2
121.10151	5.1
123.04440	2.7
123.08080	3.3
125.09628	7.6
128.06236	2.9
129.06981	6.4
131.04947	2.0
131.08572	12.9
133.06487	4.7
133.10129	20.3
135.08058	5.7
135.11748	3.1
137.09647	3.1
141.07004	2.9
143.08556	6.9
145.06516	9.7
145.10138	5.5
147.08058	5.0
147.11693	3.3
149.09657	3.4
151.11185	8.3
153.09109	4.0
155.08543	5.4
157.06529	2.6
157.10133	2.7
159.08044	5.7
159.11696	3.7
160.52538	1.1
161.05965	2.0
161.09641	3.3
163.11177	3.9
165.09122	4.5
169.10158	4.9
171.08110	3.2
171.11713	3.1
173.09608	4.7
173.13306	1.4
175.11214	2.8
175.14935	1.3
181.10139	3.4
183.08093	1.6
183.11766	2.3
185.09544	1.4
185.13274	3.3
187.11298	1.6
187.14864	2.1
189.11188	5.7
191.10483	1.5
193.12285	3.9
195.11690	2.2
197.09781	1.2
197.13324	2.8
199.11226	3.0
205.12268	2.3
207.13748	1.9
209.13358	2.1
213.12781	2.0
215.10574	1.2
215.14331	4.5
233.15437	4.6
249.14967	2.3
255.13844	1.6
257.15393	1.1
259.13358	1.7
269.15372	1.9
273.14944	1.5
287.16446	3.1
319.19681	1.2
321.22186	1.5
331.20422	1.0
339.23254	4.9
349.21634	5.6
357.24289	7.3
361.20068	1.5
367.22690	25.0
385.23727	43.0
403.24951	4.1
418.26263	1.2
423.24930	1.5
441.26575	4.9
459.27414	100.0
460.27753	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	459.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.6
55.01876	16.1
55.05518	89.4
57.03441	5.5
57.07063	2.9
57.37645	1.9
59.04987	2.6
59.77499	2.0
65.03933	5.5
67.05510	73.8
69.03427	8.6
69.07077	27.1
69.43722	12.4
69.44141	3.8
71.04990	5.1
79.05500	74.4
79.05962	4.4
80.80040	1.7
81.03423	6.5
81.07068	56.9
83.04987	8.6
83.08620	36.0
85.06572	2.6
91.05488	60.0
93.07055	33.6
95.04969	13.3
95.08614	23.0
97.06533	4.5
97.10184	71.1
99.72221	1.7
101.05995	3.2
103.05484	12.4
105.07044	51.0
107.04971	12.8
107.08609	40.1
109.06519	5.8
109.10158	18.4
111.04469	3.7
111.08081	3.9
115.05448	9.2
117.07042	44.0
119.04958	3.3
119.08595	23.2
121.06528	10.6
121.10175	10.1
123.08080	6.2
125.09639	56.9
125.10553	3.1
128.06253	8.1
129.07007	30.1
129.07895	2.8
131.04918	5.2
131.08583	38.3
133.06511	10.0
133.10133	13.5
133.12912	2.1
135.04384	4.2
135.08067	14.5
135.11760	3.3
137.09685	2.2
141.07016	14.1
142.07797	2.8
143.08597	15.2
143.10648	2.8
145.06496	19.9
145.10159	16.0
147.04427	3.6
147.08069	7.8
147.11693	4.5
149.05997	2.2
149.09612	8.1
151.07558	5.9
153.07086	4.4
153.09149	10.4
155.08549	11.2
157.06491	10.0
157.10132	10.6
158.07256	2.0
159.08076	10.0
159.11719	4.0
161.06001	4.2
161.13254	2.0
163.11157	3.4
165.07011	2.6
165.09096	3.6
167.07072	14.1
167.08598	5.1
168.09479	2.3
169.10170	8.8
171.08096	6.6
171.10320	3.5
171.11726	10.2
172.73441	2.4
173.09612	5.1
173.11862	3.3
173.13306	5.5
175.11244	4.8
175.14920	2.7
177.12819	3.1
181.10153	7.3
182.10934	2.0
183.08029	2.7
183.11751	3.1
185.09691	2.7
185.13280	8.4
187.11247	3.7
187.14877	12.9
189.11243	37.6
189.12840	2.2
191.10614	2.6
193.10228	2.4
193.12270	3.0
195.11717	6.0
197.13268	14.8
199.11230	6.8
201.12650	2.4
203.03439	5.7
203.14447	2.5
205.10086	1.8
211.11285	2.1
213.12764	5.7
215.14320	36.2
215.16275	2.6
217.12309	2.3
219.11725	2.7
223.11258	2.7
225.12857	2.2
227.12854	8.1
231.02982	5.8
231.13965	4.5
233.15381	11.0
237.12895	2.1
239.14180	2.1
241.12163	3.6
241.15904	2.4
255.13762	2.9
259.13477	2.2
269.15399	4.1
271.16986	4.7
273.15018	6.2
277.14386	2.2
287.16324	2.3
289.17984	2.4
303.21356	2.0
321.22092	3.7
331.20627	4.5
339.23227	9.4
349.21738	18.8
357.17090	3.4
357.24359	5.9
367.22714	39.7
379.87833	1.9
385.16559	8.8
385.23730	30.1
403.24863	12.4
431.27823	4.2
441.26266	14.8
459.27466	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.8
55.01857	9.2
55.05501	10.9
57.03427	4.6
67.05507	17.2
68.94952	2.5
68.99780	2.5
69.03439	25.9
69.07059	9.3
69.81991	14.3
71.01344	2.4
71.04988	7.9
73.02907	3.6
79.05463	5.1
81.03430	26.7
81.07044	17.9
83.04990	11.7
85.02914	49.6
85.06530	9.3
86.09698	3.5
87.00838	18.4
89.06010	4.3
91.05478	4.4
93.07064	18.5
95.04977	17.4
95.08616	27.0
97.02895	21.9
99.04472	13.5
99.08105	100.0
105.01858	9.9
105.07032	8.3
107.08607	17.8
109.02896	20.0
109.06502	5.2
109.09454	3.6
109.10167	46.2
111.08051	4.4
113.29481	2.6
119.08567	17.2
121.10160	12.5
123.04458	4.6
123.08090	2.7
123.11710	8.3
125.09602	4.8
127.03927	35.5
129.01834	2.4
133.10147	27.9
135.08057	4.1
135.11720	23.2
137.05988	2.7
137.09627	29.3
144.43629	2.7
145.04927	12.7
147.11678	4.4
149.13281	2.9
151.11142	7.9
151.14862	3.0
153.09067	3.7
155.10706	22.6
159.02901	12.4
165.16382	4.7
175.14821	19.3
193.12161	3.0
193.15907	70.1
211.13449	14.1
211.16951	54.2
213.04039	2.9
217.12256	2.7
231.04990	6.9
445.93423	2.8
459.22339	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	459.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.6
55.01867	6.3
55.05512	14.9
57.03437	3.8
59.04983	2.8
61.02905	4.4
67.05519	16.0
67.76465	2.2
68.78474	2.1
69.03436	15.8
69.07058	9.6
69.37321	20.1
71.04996	6.7
73.02915	4.8
77.24831	2.5
79.05490	11.4
81.03419	17.4
81.07044	17.5
83.04978	7.7
83.08616	5.5
85.02916	32.1
85.06541	8.9
87.00848	11.9
91.05476	7.4
93.07051	28.5
95.04963	9.1
95.08610	31.8
97.02892	14.3
97.06513	3.1
97.10169	5.4
99.04453	12.1
99.08101	100.0
105.01855	10.5
105.03413	4.6
105.07034	13.8
107.04957	3.8
107.08614	25.0
107.59078	2.3
109.02887	19.0
109.06480	5.0
109.10157	26.9
111.08082	3.8
119.08598	12.7
121.10150	12.3
123.08093	5.9
123.11696	6.1
125.09631	8.1
126.97648	2.5
127.03915	27.2
131.08469	3.0
133.10124	18.5
135.08092	3.1
135.11703	31.8
137.09589	10.2
145.04955	8.9
147.11685	4.2
151.07533	6.5
155.10669	14.7
159.02936	8.3
159.11781	3.6
161.09723	2.8
165.09158	8.2
175.14803	12.7
177.09163	3.6
191.10593	2.4
193.14169	4.0
193.15894	39.9
196.68663	2.3
199.14749	2.3
206.13211	2.7
211.16927	30.9
220.83720	2.2
231.05006	3.3
241.40208	2.1
385.23779	3.5
459.21973	5.2
459.27734	5.1
459.62988	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.4
55.01866	4.2
55.05517	10.3
57.03451	4.3
61.02929	3.8
67.05506	16.1
67.83253	2.1
69.03434	19.4
69.07062	6.6
71.04996	4.8
73.02921	4.3
79.05511	14.1
81.03424	18.7
81.07059	17.0
83.04980	9.9
83.08617	4.2
85.02913	28.3
85.06533	6.8
87.00829	12.6
91.03936	2.8
91.05499	10.6
93.07064	26.6
95.04971	9.1
95.08615	28.8
95.09173	3.6
97.02907	14.1
97.10134	2.7
99.04459	10.3
99.08101	100.0
105.01894	10.4
105.07042	11.8
107.08601	21.7
109.02904	19.3
109.06503	5.1
109.10152	29.6
111.08085	4.0
113.09622	2.9
119.08617	14.6
121.06512	3.9
121.10137	8.9
123.08054	4.8
123.11677	7.3
125.09644	9.6
127.03915	25.7
129.01793	2.2
129.07018	2.5
131.08533	4.9
132.21733	2.0
133.10136	15.7
135.08070	4.9
135.11690	36.5
137.05977	2.5
137.09618	10.5
143.08562	2.5
145.04973	12.2
147.08051	3.6
147.11772	3.1
149.13289	5.6
151.07576	8.7
155.10660	16.8
159.02917	8.2
159.11708	4.7
165.09161	9.4
168.83473	2.3
173.13443	2.2
175.14845	12.6
177.09174	3.7
191.10794	4.7
193.15897	40.0
199.14920	2.6
211.16968	27.1
229.52554	2.4
231.04970	2.4
235.30685	2.3
247.38690	2.3
413.26407	2.9
441.26355	3.6
459.21747	2.8
459.27325	8.2
467.56198	2.7
477.30643	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.9
55.05502	5.1
61.02319	2.5
65.52113	2.7
69.03422	9.2
70.62361	8.1
71.04978	3.2
81.03402	5.9
81.07053	10.4
83.04969	4.7
83.08635	2.6
85.02917	18.1
87.00828	7.8
90.01152	2.6
91.05491	6.1
93.07043	6.4
95.08615	19.3
97.02883	7.9
99.08127	4.7
105.01875	5.6
105.07027	8.2
107.08585	10.2
108.08753	2.9
109.02872	6.1
109.10142	5.9
110.21142	2.5
119.08585	64.3
121.10173	3.5
123.11705	6.2
127.03908	8.4
133.10139	81.8
135.11711	27.4
145.04982	6.0
145.51378	2.3
175.14832	100.0
193.15923	33.7
211.16933	11.0
231.04910	4.1
274.84351	2.7
418.60684	3.2
425.13028	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	459.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91798	1.1
53.03946	3.2
55.01865	2.4
55.05508	2.9
57.03444	1.6
59.04994	1.5
61.02941	1.3
67.05515	6.4
69.03436	11.9
69.07072	2.3
69.44325	8.3
71.04983	3.7
73.02914	2.0
79.05482	2.3
81.03431	15.5
81.07071	6.1
85.02430	1.8
85.02913	25.2
85.06538	2.4
87.00845	8.6
90.10633	1.2
91.03974	1.2
91.05506	1.7
93.07053	10.3
95.04962	3.7
95.08613	8.9
97.02897	9.9
99.04478	8.0
99.08102	100.0
105.01884	8.6
107.08627	7.8
109.02893	17.7
109.06544	1.2
109.10172	13.6
119.08566	4.5
121.10159	3.9
123.08058	2.0
123.11671	2.5
127.03938	21.9
129.01833	2.6
133.10127	4.6
135.11719	10.8
137.09613	6.7
145.04962	8.9
149.13277	1.3
151.07614	1.4
155.10680	9.3
156.80164	1.1
159.02911	7.0
165.09143	2.0
165.16351	1.3
175.14850	6.4
193.15919	20.2
211.16942	18.8
213.04007	1.7
231.05019	5.2
249.05721	1.1
253.83113	1.3
282.02435	1.1
380.20447	1.3
459.22079	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.1
55.05503	7.9
57.03442	1.9
58.79767	1.0
59.04999	2.8
64.12397	1.0
67.05514	12.6
69.03434	16.8
69.07059	4.4
70.86234	2.1
71.04997	10.6
79.05499	3.3
81.03419	11.8
81.07063	11.5
83.01346	1.7
83.04993	4.0
83.08621	2.4
85.02909	14.3
85.06550	4.3
87.00835	12.1
87.32303	1.1
91.05485	3.6
93.07043	19.0
95.04977	14.2
95.08620	29.9
97.02901	26.9
97.06521	1.7
99.04457	15.5
99.08099	100.0
101.06039	1.5
102.06969	0.9
103.51224	1.0
105.01875	6.6
105.07026	5.6
107.08596	14.0
109.02905	3.6
109.06531	1.6
109.10162	28.7
111.08128	1.9
113.06031	1.4
113.09634	1.5
119.08583	10.5
121.10153	7.5
123.08093	1.2
123.11708	9.1
125.09667	3.9
127.03910	15.5
133.10126	10.3
135.08165	1.3
135.11700	19.9
137.09622	16.1
145.04962	5.8
147.11757	1.4
148.20723	1.1
149.13234	1.5
155.10680	32.4
156.08406	1.2
165.16412	3.5
175.14838	12.9
193.12326	1.4
193.15891	27.5
195.71210	1.1
197.05936	1.7
209.15198	1.2
211.16943	81.0
212.17203	1.6
231.05051	4.8
373.13150	1.2
441.19391	1.7
458.81985	1.3
459.22153	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.0
57.03429	2.7
61.02903	2.3
67.05506	6.4
69.03445	5.5
69.07073	3.5
70.68793	6.3
79.05496	3.9
81.03413	4.8
81.07061	7.4
81.81889	2.0
83.04960	2.8
83.08649	2.6
85.02901	10.6
87.00833	6.3
93.07040	6.2
95.08601	15.0
97.02918	3.3
97.10167	2.8
99.08084	9.3
105.01938	3.0
105.07061	4.6
107.08587	6.6
109.02872	4.1
109.06541	4.1
109.10172	23.4
111.08077	9.5
119.08604	16.3
121.10165	7.6
123.08089	8.8
123.11737	4.0
127.03915	7.3
133.10146	14.0
135.11749	12.1
137.09630	22.4
145.41238	2.5
147.11691	2.7
147.85506	2.3
149.13298	3.0
163.28406	2.2
165.09103	8.7
175.14844	27.4
193.15857	21.1
211.16957	100.0
212.17337	4.0
440.36789	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.5
55.01875	1.8
55.05516	3.7
55.05769	0.8
57.03430	1.3
57.07090	1.3
64.56416	0.8
67.05503	3.8
69.03440	6.2
69.07063	3.7
70.68388	1.6
71.04986	3.7
73.02923	1.3
79.05495	3.0
81.03426	5.3
81.07072	9.0
81.17390	0.8
83.04993	1.6
83.08612	1.7
85.02914	13.0
85.06532	1.5
87.00829	7.1
91.05483	6.9
93.07053	13.8
95.04968	1.4
95.08619	13.4
95.15392	0.8
97.02888	6.5
97.06544	1.1
97.10164	1.8
99.04459	2.2
105.01873	5.5
105.07047	11.0
107.08604	21.5
109.02892	5.8
109.06524	1.7
109.10154	3.8
117.07029	1.9
119.08591	29.2
121.10163	4.6
123.08104	2.5
123.11707	5.1
127.03928	10.2
129.01817	1.1
131.08585	1.6
133.10144	56.1
135.11705	59.7
137.09633	3.4
145.05031	4.1
145.10153	1.3
147.11736	3.7
149.13239	1.2
151.07556	3.1
152.36638	0.7
159.02901	3.4
165.09161	2.5
171.25262	0.9
173.13260	1.7
175.14842	100.0
176.15233	1.3
191.10666	1.3
193.15903	53.4
211.16986	11.1
231.05057	1.5
303.13455	0.8
459.27548	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.0
55.01844	2.7
55.05500	4.2
57.03432	2.6
67.05483	6.3
69.03417	15.3
69.07054	5.7
69.62325	14.8
71.04983	4.4
73.02916	4.1
80.99317	2.0
81.03411	11.4
81.07076	13.7
85.02909	27.3
85.06536	3.6
87.00822	11.9
91.05470	6.3
93.07040	12.1
95.04967	6.3
95.08607	19.5
97.02882	9.7
99.04453	8.2
99.08097	78.4
105.01884	12.7
105.07034	12.0
107.08596	14.3
109.02904	13.2
109.10168	12.4
113.35720	2.2
119.04920	2.7
119.08588	44.4
121.10127	3.5
123.11735	5.6
127.03938	24.6
133.10132	60.3
135.11690	17.8
137.09578	4.7
145.04958	10.5
147.04340	3.7
147.11694	2.4
155.10667	8.2
159.02853	6.8
175.14830	100.0
176.15099	2.6
193.15883	27.6
200.10568	2.2
211.16989	14.9
211.62013	2.2
231.04982	7.8
400.84219	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.9
53.51045	1.1
55.01855	4.6
55.05519	8.5
57.03427	4.2
57.07065	2.3
59.05009	1.2
61.02922	2.3
67.05510	16.6
68.99780	1.5
69.03434	25.9
69.07073	6.6
71.04990	6.9
73.02911	4.2
79.05492	4.7
81.03423	20.4
81.07053	13.7
83.04996	5.4
83.08605	3.5
85.02911	34.3
85.06535	6.7
87.00836	15.2
91.05460	4.1
91.15073	1.2
92.05304	1.0
93.07056	20.4
93.68507	1.0
95.04973	7.0
95.08611	28.9
97.02901	10.5
97.06515	1.0
98.97824	1.0
99.04456	15.0
99.08099	100.0
103.03960	1.4
105.01874	7.6
105.07028	5.2
107.08604	18.6
107.53720	1.2
109.02889	15.4
109.06492	1.7
109.10162	47.4
111.08080	4.3
117.01836	3.2
119.08584	15.7
121.10143	9.2
123.08060	4.1
123.11720	8.6
125.09644	6.2
127.03921	28.0
129.01825	2.5
133.10172	9.8
135.08093	1.1
135.11702	44.6
137.09633	12.9
145.04959	10.9
147.02832	1.5
149.13281	2.3
151.07652	1.1
151.11183	2.2
151.14807	3.4
153.09055	1.2
155.10677	25.8
159.02911	8.7
165.16371	5.2
175.14844	14.9
193.15897	43.9
211.16945	85.3
212.17377	2.3
231.04984	5.9
249.05887	1.5
459.22156	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	457.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.8
55.05515	53.8
57.03436	3.5
57.07080	35.2
59.05006	3.5
63.66451	1.6
67.05506	28.2
69.07072	100.0
71.04994	8.6
71.08641	22.2
71.18063	3.9
73.06561	3.2
79.05495	15.1
79.27244	1.7
81.07058	46.6
83.05000	4.5
83.08623	62.2
85.06548	5.1
85.10183	10.0
88.07660	2.1
91.05492	6.5
93.07043	33.5
94.07352	2.2
95.08612	49.3
97.06528	19.5
97.10171	46.3
99.08096	5.3
105.07058	8.0
107.08600	33.8
109.10163	34.6
111.08096	12.3
111.11726	18.0
111.38792	1.6
113.09697	2.3
115.07596	6.3
119.08586	5.8
121.06505	2.3
121.10145	39.5
123.08076	1.7
123.11723	21.3
125.09648	13.7
125.13271	10.3
129.09108	5.0
131.08559	3.2
133.10152	8.8
135.08083	4.3
135.11697	37.6
137.13274	8.4
139.11168	12.0
139.14703	1.6
143.10680	5.7
143.14380	1.8
145.10103	3.6
147.08092	2.4
147.11711	5.4
149.09631	10.4
149.13261	17.9
151.14893	3.1
153.12750	9.2
157.12270	4.7
159.10387	1.5
159.11710	5.3
161.09634	5.7
161.13292	3.1
163.14876	6.7
164.82841	1.7
167.14351	2.0
167.17967	2.4
171.13850	3.2
173.09645	2.3
173.13292	4.3
175.11253	1.7
175.14821	2.7
177.16338	3.2
185.13266	2.8
185.15401	2.1
187.14816	2.6
189.16373	1.9
191.17964	53.7
193.16064	2.2
200.20135	4.6
201.16420	2.8
201.20496	3.8
203.17928	2.3
207.13815	2.1
209.19022	65.3
211.11334	1.9
213.22188	6.3
227.18007	3.6
227.20042	33.3
229.19508	2.9
231.23245	6.1
245.19135	1.8
257.22458	2.4
271.20505	10.8
284.26688	5.3
284.56308	1.9
289.21591	2.9
299.23718	5.0
301.21649	7.7
385.30978	5.0
397.34625	2.8
421.34808	4.7
439.35785	33.1
440.35742	2.0
457.36557	31.0
457.44312	14.6
458.37119	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3677
Annotation	Petatrichol B
Peak:m/z	Relative Intensity
51.46197	0.9
51.87394	0.8
53.23711	0.6
53.84106	0.7
55.05513	4.0
55.73819	0.7
57.07061	2.0
59.04999	1.6
67.05515	6.8
69.07076	9.3
70.70396	2.2
71.04991	4.4
74.61856	0.6
79.05502	3.5
81.07066	16.0
83.08639	5.5
85.06531	1.3
85.10203	0.9
91.05509	3.9
93.07059	9.5
95.04972	0.9
95.08617	21.3
97.10161	2.1
99.08070	1.5
105.07051	5.7
107.08601	14.4
109.06540	1.5
109.09457	1.4
109.10167	26.2
111.08125	1.7
113.09644	1.4
119.08601	5.7
121.06510	1.5
121.10154	17.8
123.08077	1.7
123.11717	7.5
125.09643	1.9
127.11147	0.8
131.08607	2.0
133.10167	4.6
135.08051	2.7
135.11700	7.2
137.09631	1.9
137.13290	4.7
139.11192	2.3
143.08533	1.4
145.10144	3.1
147.08067	3.0
147.11699	5.0
149.09650	12.5
149.13275	4.1
151.14864	1.7
152.48259	0.7
155.08539	1.0
157.10181	2.1
159.08070	1.6
159.11780	4.2
161.09637	6.2
161.13249	3.0
163.11215	1.1
163.14853	2.9
165.12761	0.8
169.10118	1.8
171.11682	2.3
173.09694	2.7
173.13272	3.4
175.11203	3.2
175.14842	4.7
177.12766	0.8
177.16425	8.5
181.10228	0.9
183.11687	1.5
185.13303	2.0
187.11206	3.3
187.14845	3.0
189.12782	1.6
189.16420	1.2
193.15872	1.3
197.13287	1.4
201.12775	3.5
201.16609	0.8
203.14311	1.1
207.13855	1.0
211.14735	1.7
213.12744	1.0
213.16298	1.1
215.14250	1.4
215.17880	0.7
217.15820	1.0
225.16400	1.2
227.17960	2.0
229.15955	3.0
229.19568	2.7
231.17433	1.4
239.18159	1.0
241.19597	3.0
243.17496	2.2
245.18991	7.0
255.21011	1.2
257.19107	1.6
269.22583	1.5
271.20624	11.8
271.23984	1.6
283.20581	0.9
299.23740	16.4
301.21707	4.0
305.11087	0.9
313.25107	3.6
327.26837	2.2
365.28278	0.9
369.31525	1.3
379.33853	0.9
383.29364	1.0
395.33109	0.9
403.33609	2.5
421.34644	7.2
433.76913	0.7
439.35760	100.0
440.36172	3.5
457.36850	16.8
466.50812	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3678
Annotation	Microfokienoxane B
Peak:m/z	Relative Intensity
55.05514	6.0
57.07069	7.0
67.05499	6.2
69.07088	11.5
69.07409	1.7
70.82273	3.4
71.04988	3.6
72.08158	4.3
76.10298	1.8
78.64144	1.6
79.05490	3.3
81.07067	21.6
83.08625	4.7
91.05486	5.6
93.07041	15.5
94.52722	1.8
95.08614	25.2
97.10187	2.7
105.07034	14.4
107.08604	15.4
109.10162	18.4
112.94375	1.7
119.08584	14.9
120.08105	1.8
121.06494	4.6
121.10161	14.6
123.08084	2.3
123.11722	15.2
125.09683	3.0
131.08577	4.3
133.10150	9.8
135.08046	10.6
135.11716	10.6
137.13300	10.4
139.11256	2.4
142.08028	1.8
143.08607	4.1
145.10109	4.7
147.08017	6.2
147.11685	15.5
149.09631	100.0
149.13306	6.1
157.10054	3.3
159.11697	4.4
161.09666	13.8
161.13287	5.7
163.11263	2.6
163.14856	8.7
171.11707	4.9
173.13293	3.9
175.11176	5.2
175.14851	4.7
177.16385	2.9
179.14250	5.0
181.15884	3.7
185.13316	2.1
187.11176	2.5
187.14804	2.7
189.12852	2.8
191.14348	2.3
200.20149	2.7
201.12820	3.4
201.16399	8.7
203.17978	3.7
205.19466	5.3
207.13788	16.8
213.12787	4.1
223.20602	6.0
227.14211	2.2
261.18570	9.7
261.21893	1.8
265.19742	2.0
271.20575	83.1
283.20569	4.4
283.26468	2.4
299.23666	4.5
301.21652	24.7
315.22989	2.4
376.14960	2.0
377.61465	2.0
379.33420	4.2
397.34238	3.1
421.34756	12.0
439.35727	40.2
440.36102	2.4
457.36353	8.0
457.44373	5.6
478.88504	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.01863	2.0
55.05514	4.6
57.03434	2.4
57.07061	1.3
65.21077	0.9
67.05515	7.2
68.71546	1.0
68.99762	1.1
69.03075	1.5
69.03435	17.4
69.07067	7.7
69.09054	1.0
71.04982	1.8
71.37324	0.9
71.45655	1.9
73.02935	2.0
79.05499	6.8
80.58787	1.0
81.03407	4.4
81.07062	11.7
83.04979	4.1
83.08605	2.8
85.02910	7.2
85.06541	2.7
86.06071	1.1
86.09773	1.2
87.00827	3.6
91.05478	8.1
93.07042	7.8
93.96835	0.8
95.04964	3.2
95.08611	16.3
97.02889	4.0
97.06539	10.3
97.10182	1.4
98.88768	0.9
99.04460	2.5
105.01855	2.8
105.07043	8.9
107.04976	1.3
107.08606	20.2
109.02883	4.0
109.06536	10.7
109.10157	12.2
111.08112	1.2
117.07053	2.2
119.08589	8.6
121.06487	6.3
121.10163	14.0
123.08062	5.0
123.11697	5.4
125.09675	1.0
127.03940	5.0
129.07018	1.5
131.08563	11.6
133.10147	9.6
135.08061	15.7
135.11676	5.4
137.09625	4.1
139.11217	1.5
143.08568	2.8
145.04927	1.8
145.10117	8.4
147.04425	1.6
147.08040	2.2
147.11699	4.0
149.09616	9.5
149.13255	4.8
151.07535	4.1
157.10162	1.2
158.10927	5.2
159.02884	1.8
159.11664	1.8
161.09650	2.4
161.13242	1.1
163.11180	6.6
163.14810	6.3
165.09113	14.3
167.07054	1.1
167.81407	0.9
171.11707	1.3
173.13266	30.2
175.11111	1.3
176.45839	0.9
177.09169	1.4
189.12653	1.4
191.14316	100.0
192.14656	1.7
205.12331	2.1
209.15385	34.4
210.15640	1.1
240.81662	1.0
277.21460	1.6
288.10834	1.1
295.19043	1.6
433.22180	1.1
457.20956	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	457.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57177	0.9
52.05837	0.9
53.03960	5.1
55.01876	1.0
55.05255	0.9
55.05510	5.9
57.03446	2.1
57.07080	2.1
61.02928	1.4
67.05515	7.4
68.99770	1.1
69.03432	9.2
69.07073	9.3
69.31712	4.7
69.32145	4.5
71.05005	6.5
79.05493	4.6
79.88560	0.9
81.03422	27.6
81.07067	10.4
83.04978	2.5
83.08608	3.2
85.02911	100.0
85.06540	3.5
87.00832	7.2
91.05479	5.7
93.07043	8.0
95.04963	2.8
95.08611	11.0
97.00284	0.9
97.02905	7.1
97.06550	6.7
97.10172	1.2
99.04481	5.9
99.08084	1.7
103.05421	1.3
105.01855	4.0
105.07043	9.6
107.08604	12.3
109.02885	12.5
109.06506	3.9
109.10152	10.5
111.08112	2.6
111.11703	1.7
113.09583	1.2
117.07002	1.4
119.08582	7.3
121.10164	12.7
123.08104	1.9
123.11713	3.3
125.06026	2.4
127.03931	13.1
129.01852	1.1
131.08614	5.3
133.10138	42.9
135.08052	7.0
135.11685	3.0
136.67783	1.0
137.09601	2.2
143.08540	2.0
145.04968	2.0
145.10150	4.7
147.08086	1.3
147.11708	6.0
149.09631	2.6
149.13257	5.1
151.07539	3.1
151.11153	2.9
157.10193	1.4
158.10886	1.4
159.11760	2.1
161.13277	1.4
163.11101	1.3
163.14861	1.9
165.09088	8.6
173.13258	10.9
175.11169	2.2
189.12689	2.2
191.10698	1.5
191.14337	19.8
201.12857	1.1
209.15384	55.6
213.03897	1.0
220.97452	1.2
231.04965	1.8
251.16414	2.3
257.15430	1.1
295.19028	1.9
439.19434	2.1
456.91196	1.0
457.20572	27.2
457.29770	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66995	2.7
53.03956	14.2
54.46933	2.8
55.01872	12.7
55.05525	17.1
57.03428	11.7
57.07085	6.9
59.05038	2.6
61.02929	6.8
61.46738	2.9
61.95626	2.9
67.05490	10.2
68.99798	5.2
69.03430	45.4
69.07079	19.4
69.45010	23.8
70.29480	2.9
71.04989	9.9
73.02918	13.5
79.05495	9.1
81.03423	56.7
81.07058	7.7
83.05000	7.7
83.08616	8.9
85.02911	94.4
85.06545	8.1
87.00835	37.2
91.03920	3.9
91.05496	10.2
93.07047	26.4
95.04990	3.9
95.08608	9.8
97.02895	28.3
99.04461	23.5
99.08102	6.5
101.06050	15.4
105.01860	32.5
105.07040	11.5
107.04975	6.2
107.08605	44.8
108.09309	3.2
109.02886	59.2
109.06520	14.3
109.10155	19.9
113.09682	3.4
117.01840	5.8
117.06989	3.2
118.49848	3.1
119.08591	17.3
121.06528	10.7
121.10162	53.0
122.07294	5.9
123.11726	4.3
127.03930	90.8
129.01852	7.0
131.08556	16.8
133.10149	12.4
135.08073	14.3
135.11717	13.5
137.09631	73.7
143.06865	3.3
145.04971	32.3
145.10049	3.8
145.37045	2.7
147.11646	5.3
149.09645	31.5
149.13237	8.1
151.11168	19.2
158.10977	4.3
159.02899	32.4
163.14828	62.7
167.10548	3.4
173.13263	15.7
191.14317	100.0
209.15407	35.3
213.03975	3.5
231.05049	19.6
290.92987	3.1
406.36258	3.2
457.20740	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	457.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.4
55.01886	2.6
55.05513	2.7
57.03432	2.4
61.02914	3.2
69.03435	10.1
70.29130	3.6
70.74557	2.0
71.04993	2.2
77.28144	1.9
77.85723	1.8
79.05492	4.1
81.03426	12.7
81.07055	5.2
85.02908	26.4
87.00842	12.5
87.93433	2.0
91.05492	9.5
93.07046	9.0
95.04984	8.9
95.08621	9.1
97.02887	5.1
97.06523	13.5
99.04470	6.3
99.08117	4.7
105.01871	9.7
105.07031	40.2
107.08598	7.1
109.02869	9.2
109.10178	2.4
111.08095	4.5
117.07001	2.5
119.08594	8.0
121.10165	4.9
127.03945	18.0
128.33701	1.8
131.08580	33.6
133.10138	100.0
143.08569	6.1
144.09305	3.1
145.04967	7.1
145.10109	13.3
147.11676	8.0
149.09689	3.0
149.13254	6.4
153.09160	6.4
158.10915	12.6
159.02966	4.6
163.11177	1.8
165.61545	2.1
171.11780	2.8
173.13269	98.1
180.95876	2.2
191.14316	67.4
209.15372	13.8
231.04956	3.7
309.74289	2.3
463.68448	2.0
464.06088	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	457.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.2
55.01852	1.2
55.05514	4.6
57.03420	1.3
59.05003	1.3
61.40049	0.8
65.40000	0.8
67.05508	6.0
69.03430	20.1
69.07070	7.1
71.04996	2.5
71.14445	1.4
73.02910	1.0
79.05494	3.4
80.83772	0.8
81.03410	3.8
81.07057	10.7
83.04985	4.3
83.08611	1.7
85.02908	8.2
85.06551	1.7
87.00836	3.0
87.35776	0.9
91.05476	5.7
93.07044	8.5
95.04971	2.7
95.08605	15.4
97.02882	2.6
97.06541	9.1
97.10134	1.2
97.76289	0.9
99.04453	1.6
103.91202	1.0
105.01851	1.3
105.07029	8.6
107.04938	1.4
107.08597	15.7
109.02885	2.4
109.06528	7.0
109.10155	10.9
111.08100	2.1
115.05514	1.3
117.07011	2.0
119.08587	7.4
121.06522	4.9
121.10146	10.4
123.08078	5.2
123.11726	4.7
127.03902	4.0
131.08556	8.4
133.10120	7.6
133.96545	0.9
135.08057	12.9
135.11702	5.3
137.05966	1.2
137.09612	5.7
143.08597	3.2
145.04915	1.2
145.10141	6.7
147.04541	0.9
147.08078	1.1
147.11707	3.0
149.09630	9.1
149.13269	5.6
151.07538	2.8
157.10153	1.3
158.10910	6.0
161.09641	2.4
163.11211	4.0
163.14835	4.7
165.09137	12.5
173.13271	31.9
175.11299	1.6
176.11960	1.6
191.14314	100.0
192.14725	2.0
209.15369	32.8
210.15799	0.9
255.51616	1.0
457.20602	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	15.4
55.01876	30.0
55.05517	44.6
57.03436	14.9
61.02927	15.1
67.01984	4.5
67.05508	20.2
68.99812	13.9
69.03431	74.7
69.07080	12.6
70.81651	5.4
70.81973	8.1
71.04983	14.2
73.02918	10.7
79.05487	21.2
81.03432	59.8
81.07076	34.1
81.07492	6.6
83.04987	58.1
83.08631	49.5
85.02911	100.0
85.06543	15.9
87.00830	54.5
91.05491	18.8
93.07046	22.2
95.04974	55.8
95.08619	27.0
97.02907	44.5
97.06547	26.0
97.10198	6.7
99.04456	22.5
99.08089	11.4
103.03939	30.6
105.01883	26.2
105.07051	21.2
107.04962	8.6
107.08604	48.3
109.02899	51.6
109.03601	6.8
109.06521	17.7
109.10160	26.2
111.04538	4.9
111.08097	15.8
115.03947	7.6
117.01842	6.0
117.07037	7.6
119.08591	17.1
121.06528	18.6
121.10136	38.8
123.04460	7.1
123.08073	28.2
123.11716	9.1
125.06002	24.1
125.09665	22.8
127.03932	61.8
127.11250	5.1
129.01849	13.6
131.08591	16.7
133.10144	28.8
135.08055	51.9
136.66386	5.0
137.05952	9.3
139.07585	6.8
139.11200	76.2
145.04973	11.9
145.10136	7.4
147.02950	8.3
147.08115	8.8
147.11739	11.4
149.06027	25.7
149.09651	10.3
151.07565	5.5
151.11214	23.4
153.07114	4.6
153.09123	20.2
155.10681	6.7
157.10167	8.1
159.02850	21.0
163.11211	6.3
167.07056	14.4
167.14317	16.2
169.12250	14.2
171.02873	7.2
173.13287	17.5
174.09222	4.8
175.11299	5.1
177.09044	5.1
177.12706	6.2
181.12251	91.7
189.03989	49.7
191.14317	32.1
195.10194	17.5
195.13850	5.6
209.08078	6.8
209.15358	39.1
213.04027	5.6
217.12173	5.4
231.05130	7.9
231.13901	5.9
233.15430	19.9
263.16537	8.4
275.16452	6.8
277.21646	6.1
299.16452	6.1
303.42868	4.7
317.17407	10.1
399.16437	7.7
409.17789	6.2
421.18527	10.8
439.19308	15.4
457.20636	28.4
457.27829	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.8
55.01859	5.0
55.05500	7.2
55.17704	1.8
57.03431	3.1
57.07068	2.3
58.02600	1.7
61.02924	3.4
67.05505	20.7
68.99776	3.2
69.03434	22.6
69.07071	8.9
70.96227	2.2
70.96583	3.9
71.04994	9.6
72.08132	4.4
73.02895	2.3
79.05486	5.4
80.04539	1.8
81.03427	16.1
81.07064	9.3
83.04984	4.3
83.08621	13.7
85.02436	3.0
85.02911	42.1
85.06532	4.4
87.00845	18.9
88.29055	1.9
91.05476	7.7
93.07042	7.3
95.04980	23.0
95.08617	12.1
97.02893	12.9
97.06555	10.6
99.04448	6.7
105.01886	13.4
105.07029	12.8
107.08605	11.7
109.02895	17.4
109.06517	10.6
109.10163	93.3
111.08098	2.3
115.93630	1.8
117.06990	6.1
119.08578	5.4
121.06491	2.1
121.10141	10.3
123.08083	5.8
127.03925	25.7
129.01877	2.6
130.13426	1.8
131.08569	17.8
133.10147	29.4
135.08058	27.5
145.04951	8.5
145.10100	4.7
147.11700	6.5
149.09615	8.4
149.13239	5.7
153.09103	4.4
158.10883	4.9
159.02863	8.1
163.14815	3.3
165.12732	2.0
168.96007	1.7
173.13284	26.4
191.14319	100.0
192.14671	2.1
209.15370	26.5
231.04889	2.9
233.15332	2.1
421.18622	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	456.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
55.05506	2.3
57.07071	13.0
59.05006	100.0
61.02917	1.5
67.05497	1.7
68.91943	1.1
69.03447	7.1
69.07079	2.6
70.30436	1.1
70.30785	4.6
71.04995	1.2
81.03414	5.0
81.07066	1.6
85.02909	16.9
85.06516	1.5
87.00829	9.0
89.72842	1.5
95.08608	1.4
97.02887	4.8
97.10178	2.2
99.04458	1.7
105.01864	5.5
105.07003	1.3
109.02864	4.5
109.10155	1.4
115.11210	33.5
116.10741	2.2
127.03916	6.5
145.04962	4.5
147.02870	1.4
159.02908	2.6
165.09178	1.5
173.15395	5.2
191.16444	61.3
244.15508	1.5
261.08868	1.5
438.28293	2.4
454.18713	1.4
456.22049	2.5
456.29422	5.2
457.21619	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	6.4
56.96575	4.4
59.74963	2.5
63.26405	2.6
69.03433	13.1
71.55827	4.8
72.68111	2.3
73.02911	3.4
81.03410	5.5
85.02912	23.5
89.03925	6.0
91.05502	6.2
95.01337	6.0
97.02901	10.0
98.97545	5.6
101.02367	2.4
103.03931	3.8
103.05483	6.3
107.04976	3.4
109.02886	4.7
111.04457	3.2
115.05458	13.1
117.03334	2.6
119.04958	11.1
123.04433	3.6
127.03930	4.9
128.06209	3.4
129.07028	4.7
131.04927	6.5
133.06479	6.5
135.04433	25.9
139.03920	9.7
141.07051	2.5
143.04935	20.1
145.02853	4.1
145.04979	4.9
145.06531	4.0
147.04424	48.0
149.06003	10.5
157.06494	10.1
159.04362	2.7
161.06004	47.1
163.03920	100.0
165.05431	4.1
167.03397	3.0
171.04446	8.6
173.05991	6.2
175.03873	13.2
177.05554	8.9
181.04916	4.9
184.85593	2.9
185.06035	9.0
187.03860	4.5
189.05487	57.7
189.07039	2.6
191.03391	4.0
193.04962	27.4
199.03941	5.6
201.05530	3.0
203.07034	4.6
205.04881	4.9
207.06479	6.6
213.05499	39.6
215.07034	3.7
217.04938	21.4
231.06543	28.6
235.06033	31.5
241.04915	14.8
249.07634	5.6
254.71184	2.7
259.05988	31.1
277.07037	11.2
295.08249	27.5
397.02231	2.8
457.09183	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.6
55.01878	1.8
57.03430	1.9
59.05039	1.1
62.94227	1.1
67.89026	1.1
69.03418	5.1
69.07111	1.5
70.58514	2.5
70.58855	1.6
79.05492	1.3
81.03413	3.8
81.07032	1.8
85.02913	12.8
85.06566	1.3
87.00816	3.1
91.05464	1.9
92.00574	1.4
93.07037	2.2
95.08617	19.5
97.02890	4.6
97.06535	5.9
99.04443	2.3
105.01857	5.4
105.07050	6.4
107.08594	3.7
107.50401	1.2
109.02876	4.4
109.10145	1.6
117.01881	1.2
117.07068	1.7
119.08588	4.1
121.10197	3.4
123.08042	2.9
124.80154	1.3
127.03902	6.7
131.08575	5.1
133.10144	100.0
143.08559	1.9
145.04916	3.3
145.10115	2.8
149.09625	1.4
149.13246	1.8
158.10910	2.9
159.02849	2.3
163.14832	3.0
173.13295	22.9
191.14320	19.1
209.15393	4.4
227.46161	1.2
231.04997	1.2
282.88306	1.3
397.18170	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.2
53.30829	1.6
55.01882	3.3
55.05516	60.2
57.03449	13.5
57.07082	77.6
59.05001	1.9
67.05509	41.4
68.96284	1.6
69.07077	37.0
70.18305	1.5
71.05000	2.5
71.08632	40.1
71.09000	2.9
79.05504	21.4
81.07069	56.9
81.47470	1.7
83.05005	3.0
83.08630	50.9
85.06566	6.0
85.10193	24.0
88.02267	2.3
89.06053	7.1
91.05511	3.6
93.07053	23.6
95.08616	85.8
97.06538	14.7
97.10178	26.6
98.20777	4.2
99.08099	4.1
99.11769	4.4
101.06017	2.9
101.87500	1.7
103.07635	5.3
105.07054	4.0
107.08605	21.5
109.10165	43.3
111.08112	7.6
111.11744	2.5
117.09138	2.2
119.08640	2.4
121.10159	22.7
123.11707	15.3
125.09666	3.8
135.11781	3.0
137.13315	1.7
145.10098	1.9
163.14827	32.7
163.16042	2.4
165.16463	5.0
171.95773	1.7
181.15886	24.5
183.17462	100.0
199.16983	17.0
201.18478	9.2
241.20772	1.7
255.19572	8.2
257.21115	9.0
437.34427	4.9
455.37427	66.4
456.38245	1.9
456.44305	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	456.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
54.33900	0.6
54.43307	0.6
55.01882	2.3
55.05514	1.5
57.03440	1.5
57.07081	14.4
59.05007	100.0
60.05336	0.8
61.02953	1.5
64.54254	0.7
66.33013	0.7
66.91789	0.7
68.99802	0.9
69.03433	7.1
71.05006	1.7
71.27143	1.3
73.02936	1.3
73.98136	0.7
81.03414	6.5
85.02914	17.9
87.00838	8.0
88.08184	0.8
97.02915	4.9
98.26696	0.7
99.04480	2.3
105.01881	7.5
109.02902	5.4
115.11217	30.5
117.01900	0.8
117.09176	1.4
127.03923	9.8
129.01823	0.9
145.05013	3.2
159.02966	2.5
165.09189	0.8
173.15433	4.4
191.16438	51.7
192.16808	0.9
218.01712	0.7
231.05141	1.2
287.10477	1.0
322.62018	0.8
364.11554	0.8
379.51422	0.8
400.89151	0.9
456.22647	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	455.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22403	5.8
55.01879	5.6
55.05516	23.7
55.20331	6.1
56.96556	9.7
57.72616	5.3
61.02939	6.3
67.05521	28.7
69.03442	28.7
69.07079	15.1
70.06607	6.1
70.96797	8.3
71.04993	8.2
79.05505	22.8
81.03428	11.7
81.07066	32.7
83.04975	10.6
83.08618	7.1
83.33619	5.7
85.02914	38.1
85.06550	26.8
86.09724	8.8
91.05498	22.2
93.07046	42.6
95.04983	19.7
95.08626	28.9
97.02882	16.8
97.89569	5.8
98.97593	14.0
99.04475	13.1
99.08096	15.3
105.07037	46.9
107.04961	13.8
107.08596	23.1
109.02914	11.9
109.10177	26.1
111.08078	7.6
117.07014	6.4
119.08600	32.6
121.06510	13.2
121.10152	29.7
122.09664	13.9
123.08083	11.5
125.09637	10.5
127.03959	19.5
129.07004	7.6
131.08598	26.4
133.10136	33.6
134.99644	6.7
135.08057	15.3
135.11737	11.5
137.09644	26.1
143.08601	11.0
145.06502	5.9
145.10114	19.6
147.04407	10.5
147.11769	12.1
149.09625	12.0
155.08606	6.1
157.10139	8.8
159.08084	7.1
159.11705	13.9
161.09616	13.7
161.13306	6.3
163.11215	13.3
165.09091	10.4
165.12846	8.4
171.11728	7.1
173.09636	10.0
173.13274	25.6
175.14774	7.7
179.10651	10.8
189.09030	5.9
199.14851	8.1
209.08434	7.6
217.84933	5.5
227.09550	9.2
237.02834	20.2
243.12679	9.3
257.18991	24.8
267.12775	17.7
269.14282	15.0
275.20084	100.0
287.15314	8.1
293.17233	75.4
293.21069	17.8
413.18558	72.2
455.22870	63.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72343	1.5
55.97062	1.7
57.07074	40.5
59.69669	1.6
66.94357	1.6
71.08628	23.0
71.57333	2.3
73.06551	6.5
77.22903	1.4
78.64609	1.5
81.07039	2.6
83.08613	3.9
85.10183	18.5
85.36880	1.7
87.04485	1.9
89.06033	100.0
95.08637	2.1
97.10162	4.8
99.11707	2.5
105.06982	1.6
107.07063	2.7
117.09158	3.3
130.08632	4.3
133.08603	43.2
151.09599	2.3
155.17941	3.8
177.11227	15.4
187.85472	1.9
195.12263	2.4
197.61577	1.7
199.20587	3.2
221.13872	2.1
239.14958	2.8
243.23215	7.9
283.17511	14.1
287.25906	5.0
351.62003	1.9
437.34705	14.0
454.33704	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04069	0.5
56.96409	1.6
56.96724	1.9
69.03269	1.0
69.03627	1.1
71.55896	0.5
71.56260	0.7
73.44323	0.4
79.05323	0.5
81.03250	1.2
81.03697	0.7
85.02713	1.6
89.03692	4.2
89.04317	1.3
90.04086	1.0
91.05274	1.8
97.02709	1.1
97.03297	0.9
98.97359	2.6
99.04266	1.1
101.00673	2.0
101.01340	1.1
107.04720	1.4
107.05379	0.5
109.02712	1.0
110.01241	0.6
110.97395	1.1
110.98044	0.5
113.00735	0.9
116.98408	1.1
117.03156	3.9
118.00944	0.9
119.01689	6.6
119.02596	1.0
119.04715	2.5
120.05102	0.4
123.48962	0.5
127.03738	1.2
128.98454	1.0
130.99988	1.2
131.01668	4.8
131.02705	1.1
131.51865	0.7
133.03363	1.0
134.99480	0.8
135.04176	8.1
135.05267	0.9
136.04597	0.8
137.01776	1.2
137.02805	0.8
137.51839	0.6
139.02298	0.6
142.00977	0.7
142.38927	0.5
143.01662	5.6
143.51781	0.8
144.02542	0.9
145.02696	5.8
145.04436	0.9
146.99513	1.2
147.04169	9.4
148.04549	1.7
149.00993	1.8
149.02821	0.7
149.05864	0.7
153.03946	0.6
155.01648	3.5
156.02472	1.1
157.01555	0.8
157.03238	3.2
158.99454	0.8
159.04837	0.9
160.02017	0.6
161.02734	5.1
163.03661	46.6
164.03983	3.8
167.01718	1.7
169.03329	1.3
171.04863	0.8
173.02982	9.0
175.02615	0.6
175.04272	1.4
177.00484	1.5
185.02966	7.7
187.04373	0.8
189.00539	0.9
191.02127	0.7
195.04869	0.9
197.02731	2.0
199.04338	2.1
201.00684	1.1
203.02003	1.4
203.04010	7.0
203.54007	1.0
204.03769	1.0
205.03229	0.6
207.04996	0.8
209.02908	1.1
211.04459	0.6
213.05949	0.6
215.03827	1.9
217.05382	0.8
219.01659	1.3
221.03040	15.7
221.04962	2.9
221.06699	0.6
224.04297	1.5
224.54494	0.8
227.03894	0.9
228.98555	0.6
231.06970	0.6
235.04623	0.9
235.06459	2.8
239.04039	5.0
241.03648	0.6
245.05107	13.8
246.05299	0.6
247.01001	0.5
247.04433	1.5
251.04472	2.5
253.07607	1.0
257.05225	5.1
259.04385	1.8
261.02783	0.5
263.00589	0.6
263.03622	2.6
263.06076	1.3
269.05396	4.4
271.06662	1.1
273.05991	0.6
275.05975	1.6
277.05283	2.1
277.08090	2.9
281.04822	0.9
287.03989	0.9
293.03244	1.0
295.06485	2.3
303.06982	0.8
305.01505	0.6
305.04587	0.7
305.07428	0.8
311.06326	0.6
321.07953	1.4
323.06332	0.7
330.01443	0.6
337.09894	0.8
353.11002	1.3
365.09647	3.4
379.08777	8.4
397.09842	100.0
398.10010	3.0
411.11292	0.9
413.09836	0.7
415.10156	3.4
438.13062	0.6
451.11780	1.2
455.11633	16.8
473.11517	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.1
55.01900	0.7
55.05517	0.4
57.03436	0.5
61.02949	0.3
69.03439	3.3
69.85558	1.9
70.06602	0.9
71.04990	0.5
72.29820	0.3
73.02927	0.5
75.03305	0.3
81.03431	3.7
82.45914	0.4
83.08598	0.4
85.02921	3.7
86.09765	0.5
87.00816	2.2
94.95395	0.3
97.02901	1.9
99.04468	1.6
100.11262	5.7
101.11538	0.4
105.01860	1.2
109.02887	3.2
127.03932	4.9
132.04454	6.6
140.67613	0.4
145.04979	1.6
146.06024	0.6
147.04442	0.8
159.02925	1.9
178.05009	56.1
179.05338	0.9
199.31534	0.4
206.04503	100.0
207.04837	1.5
209.16463	1.0
227.17564	4.7
228.17891	0.8
231.05035	1.0
269.09201	0.7
270.07736	0.4
289.11139	0.4
315.09793	1.5
333.10913	0.6
351.35535	0.4
368.09671	0.4
369.45245	0.4
454.09802	2.7
454.31042	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2929
Annotation	LysoPE(0:0/16:0)
Peak:m/z	Relative Intensity
55.05497	2.6
57.03436	3.7
57.07080	23.3
58.40239	0.6
61.89993	0.5
62.06093	22.9
63.18702	0.6
66.64161	0.5
67.05504	5.2
69.07077	3.5
71.02101	1.3
71.08636	15.6
81.07062	6.7
83.08631	4.5
85.09722	0.8
85.10188	7.9
89.06021	0.8
95.08603	8.1
97.10172	2.3
98.98476	6.7
103.07561	0.8
109.10184	4.0
115.78987	0.7
123.11710	1.0
124.01597	1.7
125.13238	0.6
142.02693	0.9
143.20253	0.6
155.01041	6.4
164.22192	0.6
171.60347	0.7
185.57187	0.6
198.05284	1.7
216.06339	2.7
239.23726	2.7
257.24921	0.8
261.46042	0.7
276.13779	0.7
282.27948	11.0
313.27377	100.0
314.27789	2.1
314.97684	0.7
393.24127	6.6
436.28366	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	27.6
55.01873	17.4
55.05515	36.5
57.03426	16.7
57.07075	10.5
59.94508	4.1
61.02919	12.9
65.03952	7.4
67.05510	83.5
68.99807	26.7
69.03077	6.7
69.03436	92.3
69.07079	29.2
71.01357	4.9
71.04997	16.2
73.02903	3.9
73.26941	4.0
79.05499	79.9
81.03430	70.8
81.07066	100.0
83.01260	3.8
83.05000	21.9
83.08620	14.7
85.02914	49.6
85.06537	8.1
87.00830	18.9
91.05485	71.2
93.07049	92.8
95.04993	33.6
95.08611	70.6
97.02895	23.5
97.06551	9.6
97.10162	7.2
99.04458	15.6
101.09044	4.1
103.03986	3.8
105.07039	63.2
105.28440	4.8
107.04971	25.8
107.08601	60.8
109.02882	33.7
109.06510	18.1
109.10161	43.3
111.04443	12.1
111.08070	5.4
115.03912	5.1
115.05450	9.9
117.07012	25.4
119.08586	48.9
121.06530	21.4
121.10155	51.7
122.09669	6.6
123.04453	13.1
123.08070	11.9
123.11720	17.6
125.06000	44.6
125.09679	6.1
127.03918	76.2
128.06244	7.6
129.01845	12.1
129.05516	6.0
129.06996	17.1
131.08572	40.3
133.06477	13.8
133.10144	34.2
135.04494	4.8
135.08058	23.1
135.11702	29.0
137.06023	7.5
137.09631	13.7
137.13242	4.7
139.07547	7.2
139.11172	4.3
142.07732	6.9
143.08578	23.2
145.06453	10.9
145.10150	29.3
147.04408	7.1
147.08054	15.4
147.11696	16.5
149.06010	5.6
149.09608	17.3
149.13289	7.8
151.03978	5.9
151.07545	11.6
151.11211	5.3
153.05479	6.0
155.08592	7.2
157.10123	18.5
159.08052	11.6
159.11685	21.1
161.06012	11.5
161.09647	15.1
161.13252	25.1
163.03842	5.8
163.07573	11.1
163.11174	11.9
163.14835	22.2
165.09134	21.9
167.08565	6.1
167.10657	5.6
169.10141	10.0
171.08009	6.0
171.11719	12.1
173.09688	7.9
173.13292	13.2
175.07564	5.4
175.11270	5.0
175.14838	14.1
177.16440	10.7
179.10641	6.0
181.08694	5.7
181.10164	7.0
183.11749	9.2
185.09566	6.2
185.13269	12.3
187.11267	7.1
187.14853	19.0
189.09093	7.7
189.12791	6.0
189.16425	6.3
197.13210	5.9
199.11198	5.2
199.14847	10.5
201.12706	4.9
202.87125	4.3
203.10677	4.4
203.14404	12.0
205.15924	15.9
211.14812	4.8
213.04008	15.4
215.14325	7.0
217.15895	15.7
221.15323	9.1
225.16321	6.6
227.14235	6.9
231.05017	11.7
231.13884	8.1
235.14679	4.4
235.16913	8.2
245.15392	17.0
263.16397	9.4
271.17078	5.2
273.14877	5.9
277.18048	7.9
285.18579	7.1
291.15939	23.3
313.18033	18.3
327.18027	10.1
331.19086	21.4
349.20166	9.4
360.30676	4.4
373.21381	4.0
393.19342	6.2
417.19083	10.8
435.20059	14.7
453.21109	58.0
453.33603	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	453.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	13.9
55.01884	17.6
55.05511	29.9
57.03428	7.0
57.07071	8.2
57.58978	3.9
61.02916	10.2
65.03936	8.5
67.04022	3.2
67.05174	4.6
67.05512	81.0
68.99796	22.7
69.03076	5.5
69.03434	100.0
69.07082	19.1
69.59190	17.8
69.59605	6.0
71.04990	11.8
71.08621	6.3
72.37068	3.5
79.05495	57.2
81.03430	54.7
81.07065	90.6
83.04983	14.1
83.08619	7.3
85.02916	42.2
85.06537	4.9
87.00855	19.4
91.05488	53.3
93.07056	72.9
95.04946	19.7
95.08612	73.0
97.02905	20.1
97.06517	11.8
99.04475	18.1
99.08102	3.8
103.03918	4.1
105.01840	5.2
105.07041	49.9
107.04967	17.4
107.08592	48.6
109.02872	38.6
109.06510	16.8
109.10168	37.7
111.04439	12.2
111.08096	6.6
113.72634	3.4
115.05537	5.8
115.75133	4.4
117.07008	15.6
119.04943	7.7
119.08591	41.1
121.06513	18.1
121.10160	35.8
123.04436	11.9
123.08051	9.1
123.11729	17.1
125.02361	4.3
125.05984	8.3
125.09611	7.0
127.03918	80.2
128.06223	5.2
129.01846	13.0
129.06984	14.9
131.08578	30.1
133.06477	14.6
133.10167	25.9
135.04401	6.6
135.08105	9.6
135.11736	21.1
135.12582	4.1
137.09598	6.6
139.07527	4.6
142.07787	5.3
143.08572	10.8
145.06503	9.1
145.10133	28.7
147.02942	5.5
147.08026	8.5
147.11710	14.0
148.21088	4.1
149.05978	7.4
149.09628	8.5
149.13263	6.6
151.07591	11.1
153.05501	5.4
155.08469	7.0
157.10136	14.5
159.08031	6.0
159.11705	14.1
161.06017	8.7
161.09666	9.7
161.13271	22.8
163.03856	4.8
163.07587	10.3
163.11201	6.4
163.14832	21.5
165.09174	11.2
169.08673	6.0
169.10068	6.9
171.08080	5.0
171.11746	6.1
173.09674	8.6
173.13260	9.0
175.07558	8.0
175.11215	7.1
175.14819	12.6
177.09169	7.1
177.12990	3.9
177.16417	9.0
181.10136	5.3
183.11659	5.7
185.13246	12.0
187.11292	5.4
187.14799	12.5
189.03960	5.1
189.09102	4.4
189.12743	5.1
189.16412	5.2
197.09465	4.3
199.14886	10.8
203.14308	9.0
205.15974	11.6
207.06424	5.8
213.03963	22.0
213.12730	4.9
217.15811	7.4
221.15474	6.1
231.04968	11.0
231.13802	5.6
241.15895	5.2
243.17470	5.4
245.15320	13.0
246.60674	3.9
257.90298	4.3
273.15005	7.8
285.18469	6.1
287.16217	4.1
289.18179	4.7
291.15909	28.2
303.19629	4.7
309.16971	17.4
313.17905	12.3
331.19089	15.3
349.20139	5.4
384.83438	3.6
399.18140	5.0
417.19131	4.6
435.19937	8.6
435.32632	4.2
453.21310	42.1
453.33594	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22697	0.3
54.13792	0.3
55.05503	0.6
65.03932	1.0
67.05502	0.7
69.07078	0.6
69.82381	1.8
79.05493	0.6
81.07069	0.6
83.08604	0.6
91.05486	12.8
93.07035	0.5
95.08614	0.9
119.04950	26.0
119.08624	0.4
121.10188	0.4
147.04417	100.0
148.04771	0.7
161.62650	0.3
165.05502	0.5
172.20441	0.4
174.86682	0.3
221.08052	0.6
261.48483	0.3
287.22284	0.6
431.73984	0.4
433.25912	4.1
446.07236	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77136	4.1
56.96566	12.3
57.03447	5.2
64.13581	4.6
67.91165	6.1
69.03439	9.0
71.05742	10.2
76.75372	4.0
82.04842	4.8
84.96035	4.9
85.02912	10.8
89.03918	19.9
91.05486	14.6
97.02910	5.4
98.97588	11.1
101.00884	12.3
108.70960	4.4
115.02485	5.1
116.98640	12.7
117.03360	11.4
119.01929	39.2
119.04956	16.4
127.03924	6.6
131.01906	16.2
133.03488	19.3
135.04410	24.3
137.01936	6.9
137.51923	8.8
138.01772	6.9
143.01920	16.0
144.99821	6.4
145.02757	8.5
145.98424	4.0
146.54865	4.4
147.04419	79.4
148.04758	11.9
152.02504	7.3
157.03455	11.9
161.02957	16.5
163.03903	100.0
164.52545	4.9
165.04330	4.4
168.99821	8.5
171.01395	6.5
173.02963	19.3
173.53094	7.8
174.02841	6.7
185.02927	10.9
187.00887	13.2
187.04527	7.0
191.00320	4.9
197.03119	7.6
203.04001	14.0
203.54208	6.9
205.01952	7.1
205.05698	5.4
215.00426	12.0
217.01970	13.2
217.05545	6.3
221.03055	14.3
225.04608	7.4
227.03891	5.0
231.03490	5.9
245.05125	19.7
255.01889	7.4
263.60043	4.8
265.04019	10.4
275.05835	4.6
291.05573	5.6
296.80838	4.2
306.07111	5.2
307.05325	5.5
307.08716	12.5
307.28961	4.5
315.02094	9.6
361.02444	10.7
375.04065	26.4
393.05225	13.8
395.08096	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	451.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	12.1
53.80994	5.4
54.52872	4.2
55.01867	22.6
55.05524	23.0
57.03429	8.8
61.02932	9.8
61.99278	4.3
62.37269	4.6
65.03963	5.2
66.80141	4.8
67.05508	52.4
68.99786	16.7
69.03439	58.3
69.07084	37.3
71.01358	5.3
71.05004	39.4
71.56530	7.8
72.45528	4.8
73.02906	10.5
78.24945	4.7
79.05498	30.6
80.38284	4.3
81.03423	48.7
81.07064	65.2
83.04987	15.1
83.08603	14.8
85.02911	69.4
87.00842	47.4
91.05484	48.4
93.07052	52.2
95.04955	17.8
95.08614	84.5
97.02892	36.4
97.06522	13.5
97.10148	6.2
98.64838	5.7
99.04455	13.9
99.08125	5.5
103.03940	12.2
104.36669	4.9
105.01854	10.4
105.07038	96.4
107.04938	13.7
107.08604	46.4
109.02869	21.3
109.06518	15.0
109.10171	55.8
111.04432	14.4
115.03919	16.9
115.05420	7.0
117.07061	24.0
119.04905	6.7
119.07789	8.2
119.08592	92.8
121.06498	14.5
121.10168	41.4
122.09685	24.6
123.04430	8.4
123.08035	12.4
123.11706	26.2
125.05978	9.2
125.09617	6.7
127.03911	30.3
127.11182	17.5
129.01855	8.0
129.07002	17.2
130.07802	7.7
131.08568	55.9
133.06532	6.8
133.09396	4.8
133.10149	57.1
135.04466	6.5
135.08069	8.3
135.11687	28.3
137.05972	11.1
137.09593	6.0
141.05370	6.0
141.07068	7.5
142.07761	14.8
143.08577	34.8
144.09309	7.4
145.04924	8.2
145.06514	7.2
145.10146	76.8
147.02916	7.0
147.04420	8.3
147.08025	9.2
147.11713	43.1
149.09554	13.9
149.13271	14.8
151.07574	6.5
151.11108	8.6
155.08548	22.9
157.10138	40.6
159.02928	9.7
159.08090	10.6
159.11711	70.1
161.09645	13.6
161.13257	15.7
163.03900	5.3
163.11214	7.4
167.08560	6.3
169.10107	17.4
171.08023	12.2
171.11664	35.6
173.09663	8.3
173.13342	25.7
175.11237	12.8
175.14825	11.7
177.12845	6.8
180.85379	5.6
181.10117	15.6
183.11748	23.8
185.09622	9.0
185.13251	17.7
187.11214	11.1
187.14847	28.3
189.04071	6.4
189.09189	7.2
189.12729	13.8
189.16403	47.7
191.10626	5.7
197.13295	21.0
199.14859	10.1
201.12688	15.9
201.16409	40.4
203.17943	13.8
207.11725	12.1
209.13268	10.0
213.12790	7.7
213.16341	15.0
215.14111	5.8
215.17946	19.1
217.12355	7.5
217.15875	5.0
219.17426	7.4
225.12791	15.7
225.16418	8.6
227.14282	10.0
227.17923	11.9
231.17490	8.4
241.15866	10.0
243.13724	11.8
243.17462	8.1
245.18983	12.1
257.19168	10.3
265.19559	7.8
275.20120	6.2
287.19931	8.0
293.18866	10.3
304.65289	5.5
311.20035	28.8
329.21072	26.4
347.14905	7.0
347.22073	11.4
365.23322	10.5
407.24286	9.1
415.20816	13.2
433.22165	27.1
451.17380	9.4
451.23328	100.0
452.23694	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	451.2331
Annotation	Leucophyllin C
Peak:m/z	Relative Intensity
53.03946	3.5
55.01871	6.9
55.05519	19.2
57.07067	2.6
65.03953	4.0
67.01865	3.3
67.05517	40.6
68.99792	21.4
69.03429	5.8
69.07076	12.4
70.29330	9.9
71.05001	3.0
79.05499	22.6
81.03425	6.5
81.07066	48.6
83.04994	11.3
83.08626	12.3
85.02911	2.9
85.06577	2.7
91.05482	22.7
93.07050	40.4
95.04984	8.7
95.08043	3.9
95.08622	49.2
97.02876	4.7
97.06548	11.1
97.10168	6.8
99.04484	2.4
99.33397	2.4
105.07040	16.5
107.04976	7.1
107.08598	23.7
109.06548	4.7
109.10166	20.0
111.00823	32.7
111.04439	11.2
111.08090	6.3
117.07025	4.5
119.08578	19.9
121.06506	6.0
121.10165	24.9
123.04454	6.2
123.08091	6.7
123.11718	8.1
124.04698	2.4
125.06001	8.4
125.09641	5.6
127.03938	16.4
129.07016	2.7
131.08582	9.2
133.06516	3.5
133.10149	8.6
134.89285	2.6
135.08044	5.9
135.11713	12.0
137.05978	2.8
137.09662	8.1
139.03914	93.8
139.07599	3.7
141.07062	2.2
143.08575	7.4
145.10152	8.1
147.08015	5.1
147.11725	7.4
149.09659	5.4
149.13257	3.6
151.03903	3.2
153.05508	6.1
157.10155	7.0
159.11702	6.3
159.65607	2.5
161.09576	4.3
161.13313	3.0
165.05450	2.7
165.09116	7.7
171.11667	3.7
173.06029	2.7
173.13321	3.8
177.16443	5.8
181.08624	3.0
183.11690	5.3
185.13264	6.0
187.11244	5.8
187.14828	4.9
199.14960	3.5
201.12581	3.3
201.16423	4.1
209.11777	2.8
221.11719	2.7
261.18390	4.0
265.18030	3.8
277.18115	5.3
285.18515	2.6
289.18021	9.4
303.19611	7.9
307.19055	100.0
325.20071	31.8
331.18964	12.1
373.20248	12.8
391.20892	3.3
415.21307	45.5
433.22302	26.6
451.22455	16.6
451.32297	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	451.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47323	6.9
53.03946	12.2
55.01871	18.4
55.05503	29.5
57.07073	14.3
60.06936	7.1
60.52269	7.3
61.02954	8.1
67.05524	40.8
68.99780	9.4
69.03437	73.5
69.07064	32.7
70.89172	13.4
71.04992	28.3
73.02920	10.2
79.05494	27.8
81.03428	60.8
81.07063	80.8
83.04990	38.8
83.08626	15.3
85.02919	75.6
87.00826	33.3
91.05474	48.9
93.07061	63.7
95.04959	27.5
95.08624	78.6
97.02888	31.6
99.04470	18.5
99.08043	9.3
103.03952	12.2
105.01893	10.1
105.07048	84.3
107.04951	9.7
107.08602	60.2
109.02856	19.2
109.06516	20.7
109.10169	56.7
111.04432	13.3
115.03943	10.8
117.01858	11.8
117.07031	22.0
119.08585	91.4
121.06543	22.5
121.10150	64.0
123.04429	12.5
123.08095	18.5
123.11729	24.6
125.06017	10.7
127.03949	29.8
127.11184	9.1
128.06166	9.0
129.07016	23.4
131.08582	45.5
133.10147	60.7
135.11717	27.6
135.90781	8.3
137.09624	25.8
142.07790	17.1
143.08571	32.7
143.53690	8.8
145.10143	87.9
147.08051	11.3
147.11708	35.3
149.09621	11.4
149.13268	18.9
155.08592	17.9
157.10117	36.1
158.10898	9.0
159.02910	12.5
159.08038	19.4
159.11678	76.6
161.09627	11.8
161.13280	26.0
163.11139	9.1
167.08615	7.5
169.10147	19.0
171.11729	37.9
173.09669	12.4
173.13263	28.5
175.01591	14.7
175.11217	15.5
175.14839	18.8
181.10158	10.1
183.11697	25.7
185.13243	18.9
187.11232	13.7
187.14861	30.0
189.04050	10.0
189.12631	14.3
189.16389	56.9
195.11722	13.8
197.13266	15.1
199.14732	9.9
201.16461	37.1
203.17963	18.8
207.11761	12.7
213.16391	17.8
215.17999	31.7
217.12347	9.5
221.92497	9.8
223.14868	11.7
225.12744	16.2
227.17902	13.8
231.17439	13.3
241.15881	9.5
243.13791	13.1
243.17560	16.1
245.19113	15.2
261.14853	8.0
297.71460	8.8
311.20050	31.6
329.21021	27.1
331.12915	9.3
347.22229	13.8
365.23331	10.1
395.10242	15.8
407.24500	10.6
408.09082	9.3
415.21115	13.7
433.22055	21.5
451.23151	100.0
451.32629	8.7
472.35098	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	451.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.0
55.01873	20.5
55.05508	19.3
56.67931	1.4
57.03439	11.4
57.07069	7.3
59.05004	2.5
61.02933	9.7
65.03938	4.0
65.20929	1.4
67.05509	40.8
68.86320	1.4
68.99791	13.6
69.03430	79.5
69.06716	1.9
69.07069	24.3
69.45546	12.1
71.01349	4.5
71.04993	26.1
72.15376	1.5
73.02913	8.0
79.05495	22.1
81.03419	50.8
81.07056	61.5
83.04985	13.7
83.08608	10.0
85.02906	67.2
85.06542	3.4
87.00830	42.8
87.04464	5.1
91.03977	2.6
91.05483	42.2
93.07047	50.2
95.01318	2.8
95.04966	17.9
95.08611	70.2
97.02895	38.9
97.06538	6.8
97.10181	4.8
99.04468	14.8
99.08081	4.1
103.03947	10.3
103.05467	3.1
105.01855	14.6
105.07034	74.9
107.04963	10.3
107.08592	52.6
109.02876	22.8
109.06522	14.2
109.10152	43.8
111.04465	14.0
111.08057	3.4
111.11676	1.6
113.05996	2.3
115.03936	15.0
115.05459	4.3
116.06252	1.8
117.01842	3.7
117.07022	15.1
119.04967	3.8
119.08582	82.5
121.06509	10.9
121.10152	37.2
123.04438	6.9
123.08088	7.6
123.11706	21.1
125.05995	4.9
125.09576	3.1
127.03918	31.6
127.07579	1.8
127.11208	9.3
128.06232	6.1
129.01846	11.9
129.05475	2.0
129.07008	10.6
130.07797	5.0
131.04918	1.8
131.08568	40.7
133.06511	7.3
133.10132	53.8
135.04427	6.6
135.08052	11.8
135.11697	18.4
137.05974	7.8
137.09630	11.7
137.13271	2.6
139.07576	2.0
139.11169	3.6
141.05357	1.9
141.07011	6.5
142.07776	14.7
143.08569	27.1
144.09363	7.7
145.04971	7.6
145.06465	9.3
145.10126	72.3
147.02892	6.1
147.08037	11.7
147.11690	47.5
149.09637	6.4
149.13251	13.8
151.07500	4.9
151.11197	5.5
153.05458	3.0
153.07057	2.0
155.08575	14.4
156.09346	10.3
157.10129	44.3
158.10890	3.5
159.02890	15.0
159.08101	11.8
159.11685	67.9
160.12206	2.4
161.09628	9.2
161.13269	21.3
163.07576	4.5
163.11124	7.5
163.14825	2.7
165.07016	3.4
165.09142	3.5
165.12746	1.7
166.07858	2.1
167.08598	4.7
167.10741	2.2
168.09334	4.4
169.10165	19.2
170.10899	2.4
171.02985	3.2
171.08086	7.0
171.11696	29.2
172.12547	3.1
173.09610	9.4
173.13249	24.9
175.07635	2.1
175.11203	12.8
175.14825	14.3
177.09120	3.5
177.12819	3.8
177.16423	5.4
179.08621	3.7
179.10634	1.8
180.09386	1.8
181.10123	10.1
182.10924	4.8
182.52603	1.6
183.08168	2.1
183.11708	18.3
184.08867	1.7
185.09674	7.3
185.13268	18.9
187.07535	3.0
187.11217	10.2
187.14815	32.8
189.03928	12.3
189.09111	5.5
189.12721	9.0
189.16383	53.1
190.16756	2.1
191.10661	5.6
191.14366	3.7
191.17995	3.0
192.09387	3.1
193.10109	6.8
194.11058	1.8
195.07991	2.0
195.11710	11.4
197.09674	4.1
197.13237	14.8
199.11220	6.0
199.14809	10.4
201.03957	11.2
201.12691	8.1
201.16399	37.8
203.10669	3.4
203.14363	4.7
203.17943	19.2
205.12199	2.4
205.15837	4.0
207.10074	1.7
207.11809	9.3
209.09596	1.9
209.13313	7.2
210.10387	2.4
211.11212	4.3
211.14793	4.8
213.03915	1.7
213.12781	6.0
213.16389	16.2
215.14377	4.4
215.17982	21.2
217.12375	2.6
217.15926	3.7
217.19438	1.8
219.05058	2.2
219.13879	3.3
219.17477	6.5
221.13339	3.3
223.14879	6.9
225.12827	12.0
225.16331	7.9
227.14331	4.3
227.17868	12.5
229.15887	3.7
231.05014	2.8
231.13864	2.7
231.17407	13.6
233.19041	6.5
235.13124	2.3
237.12791	3.0
237.16542	1.8
239.14343	3.3
239.18004	5.8
241.15820	9.7
241.19562	2.3
243.13947	11.4
243.17409	11.7
245.19043	14.4
251.18010	3.3
253.15894	2.2
257.15500	2.9
257.19034	9.5
259.16901	3.2
261.14853	3.0
261.18549	4.4
265.19681	3.8
269.19135	5.6
273.18610	2.6
275.17682	3.6
275.20404	2.9
283.20566	4.5
287.20050	5.4
289.15613	2.9
293.18961	8.8
301.21707	2.9
311.20023	30.3
329.21118	25.7
347.14972	3.7
347.22153	7.1
365.16058	2.2
365.23364	4.4
389.23373	3.3
397.19958	3.0
407.24359	7.6
415.21112	10.9
433.22229	27.3
451.23285	100.0
452.23688	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	451.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	14.1
55.01873	13.7
55.05514	29.1
57.03437	13.8
57.07079	8.4
61.02924	9.7
65.03931	4.4
67.05508	48.0
68.99789	11.4
69.03430	83.6
69.07069	28.8
69.92742	7.6
69.93156	13.9
70.06610	5.6
71.01368	4.8
71.04998	26.0
73.02902	5.7
79.05482	27.1
81.03419	50.3
81.07063	84.2
83.04991	13.5
83.08624	14.1
85.02900	64.7
85.06565	6.7
86.09700	7.6
87.00841	33.2
87.04475	7.0
91.05485	42.7
93.07057	63.4
95.04963	26.2
95.08607	89.4
97.02901	44.9
97.06528	9.4
97.10155	6.2
99.04472	10.8
99.08079	8.6
103.03963	5.1
103.05467	4.2
105.01875	13.3
105.07031	73.9
107.04961	15.3
107.08594	54.6
109.02902	22.0
109.06532	16.9
109.10162	56.1
110.07124	3.9
111.04440	12.8
111.08115	5.6
115.03928	16.0
117.01826	4.4
117.07033	16.3
119.04948	5.0
119.08579	100.0
120.08098	5.1
121.06531	15.7
121.10160	54.8
123.04456	10.4
123.08077	16.8
123.11688	21.0
125.06041	8.2
125.09618	10.2
127.03922	25.1
127.07603	6.3
127.11205	11.1
128.06223	8.9
129.01834	5.9
129.07013	17.6
131.08577	40.0
133.06499	8.0
133.10136	45.8
135.08089	12.7
135.11678	24.0
137.05963	12.2
137.09621	14.9
137.13319	5.1
139.11098	5.8
141.06956	6.5
142.07791	15.4
143.08566	35.5
143.10519	3.7
144.09344	7.8
145.05000	10.4
145.06461	6.5
145.10112	76.9
147.02795	4.0
147.04419	9.0
147.08061	11.9
147.11685	47.9
149.09628	9.0
149.13254	15.4
151.07564	4.5
151.11188	5.6
151.60114	4.6
155.08578	12.3
156.09352	12.7
157.10138	48.2
159.02899	16.6
159.08041	13.7
159.11690	67.2
161.09615	14.0
161.13245	22.7
163.07594	5.6
163.11172	7.5
165.07076	7.1
165.09116	4.9
167.08580	5.1
169.10141	17.5
170.10910	4.4
171.08017	6.5
171.11687	34.5
173.09634	13.5
173.13258	35.0
175.11198	10.3
175.14864	17.1
177.16544	4.9
181.10112	10.7
183.11662	19.0
185.09612	8.3
185.13214	20.5
187.11185	9.9
187.14883	22.7
189.03960	10.9
189.09117	13.9
189.12788	10.6
189.16382	39.9
192.09357	6.5
193.10272	4.8
195.11641	12.4
197.13255	16.0
199.11185	7.8
199.14844	13.6
201.03944	8.3
201.12779	11.2
201.16403	36.4
203.10739	5.3
203.14406	4.5
203.17964	22.0
205.15860	6.4
207.11795	9.9
209.13283	11.1
211.14861	9.1
213.12833	11.0
213.16321	19.6
215.14330	5.5
215.17976	23.7
217.15883	5.1
219.17455	8.7
223.14845	6.5
225.12669	19.3
225.16312	7.7
227.14294	5.0
227.17987	12.2
229.15793	6.9
231.17404	11.9
233.19003	8.0
237.12808	5.9
239.14368	4.7
239.17996	6.8
241.15852	10.5
243.13821	12.9
243.17517	13.3
245.19032	13.6
255.17438	5.0
257.19107	9.0
261.14975	7.3
269.18991	8.1
287.20044	9.2
293.19009	4.6
311.20087	34.4
329.21085	25.6
347.22263	12.3
407.24490	4.7
415.21051	13.7
433.21765	26.3
451.23331	75.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.4
53.48628	0.2
55.01863	0.8
55.05504	0.5
57.00762	0.2
57.03436	2.2
57.39125	0.2
58.03774	0.3
61.02937	0.4
65.03943	0.4
66.65825	0.2
67.05500	1.0
68.99761	0.3
69.03419	1.4
71.04993	0.4
73.02911	0.9
74.03268	0.2
75.04483	5.2
76.04811	0.9
77.04912	0.9
79.05491	1.1
79.41913	0.2
80.05024	0.4
81.03426	0.6
81.05800	0.2
81.07045	1.0
83.08620	0.2
84.04514	0.5
85.02902	3.0
87.04453	0.5
91.05470	2.7
92.05025	0.3
92.06252	0.4
93.07055	1.2
94.06575	0.9
95.04973	0.5
95.08584	0.5
96.08144	0.8
97.02890	1.3
99.04449	0.3
100.11253	1.0
104.04974	0.6
105.05759	0.3
106.06563	1.7
107.05007	0.2
107.08608	0.8
108.08124	1.0
109.02874	0.5
109.06537	0.4
109.10100	0.3
112.52041	0.2
116.04987	0.3
117.05804	0.4
118.06546	2.6
119.07330	0.4
119.08601	0.6
120.03123	0.3
120.08110	12.6
121.02850	0.6
121.10181	0.3
122.09687	1.2
123.04413	0.4
123.08064	0.3
123.11742	0.4
124.07596	7.1
126.09158	1.1
127.03912	0.7
129.05472	0.3
133.10097	0.5
134.06026	5.4
136.07571	2.8
137.02354	0.6
138.02710	0.2
138.05493	1.5
138.09134	0.5
145.04962	0.4
145.10112	0.4
146.05968	2.4
146.06894	0.2
147.04364	0.4
147.06790	2.7
148.07578	12.5
150.09129	1.1
152.07083	1.3
153.01807	1.0
154.02145	0.3
154.12271	0.7
155.02303	0.3
163.03896	0.6
164.07072	64.0
165.01746	0.3
165.07564	0.8
166.08699	2.2
184.07393	0.5
198.12892	0.3
200.10698	0.8
201.10472	0.2
202.12267	0.4
214.11037	0.9
215.15504	2.0
216.10251	1.6
217.09914	0.4
225.13895	0.5
226.12239	0.6
228.10197	0.7
229.05003	0.5
229.13286	1.3
230.05449	0.6
231.05550	0.5
232.09776	0.5
243.11160	0.3
243.14946	6.7
245.16460	3.1
253.13318	1.5
254.11632	1.3
257.04370	0.4
258.04623	0.3
259.05075	0.4
271.14420	22.3
281.18631	0.8
287.05273	1.0
287.13885	0.4
288.05911	0.4
289.15466	100.0
290.15823	2.8
291.58417	0.2
303.05011	5.9
304.05356	7.4
305.05530	17.4
306.05829	0.4
451.10257	0.6
451.20798	1.3
451.32843	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1024
Annotation	Gaboroquinone A
Peak:m/z	Relative Intensity
53.03930	0.8
53.28109	0.7
55.01837	0.7
63.41066	0.7
65.03925	1.2
65.19689	0.6
68.99769	1.8
69.03409	1.5
69.07046	1.5
70.06599	14.5
70.41236	1.4
72.08131	0.8
79.53787	0.6
81.07021	1.1
85.02872	2.1
86.09713	5.3
87.04424	0.6
91.05460	1.2
93.07040	0.9
95.04969	3.9
97.02855	1.1
97.06499	0.7
105.03342	1.6
105.06967	0.9
107.04944	1.9
107.08604	0.7
109.02825	0.9
111.00814	0.9
111.04396	1.0
119.04903	1.7
121.02876	28.7
123.03580	0.9
123.04439	15.1
127.03902	1.7
127.08662	1.7
129.06996	0.7
131.04849	0.9
133.02843	1.0
135.04410	1.5
136.07562	1.8
137.02301	1.7
137.05940	1.1
137.75987	0.6
138.09059	0.8
145.02826	1.9
146.05949	0.7
147.04407	9.7
149.02237	0.8
153.01833	6.4
155.08154	0.9
157.06433	1.0
163.03888	3.3
165.01822	2.9
170.06898	0.7
171.04413	1.8
173.05960	0.9
175.03807	0.7
179.03400	1.0
183.02899	1.7
187.03906	1.5
197.05977	1.4
201.01935	1.0
201.05467	0.8
203.03322	0.8
213.05495	2.3
215.03346	3.6
217.01358	0.9
225.05466	1.6
229.04970	1.1
229.15509	4.1
230.15813	0.8
231.06473	1.3
235.14484	0.9
238.08699	0.9
241.04997	2.0
247.07632	1.5
253.04961	2.0
257.04495	2.8
258.05069	1.4
259.05963	1.0
269.04422	3.9
271.06143	1.9
283.05902	1.1
286.17603	2.1
287.05508	97.0
288.05774	3.2
289.03357	1.3
289.06128	2.2
306.14804	0.8
313.03467	5.9
313.07092	6.5
321.06848	0.7
331.04501	15.8
339.04993	5.2
340.15536	0.9
342.17194	1.1
345.07333	0.9
349.07187	3.0
357.06076	1.4
360.18167	0.9
363.08719	1.5
370.16653	1.9
388.17697	2.2
389.06503	0.7
389.13107	0.8
391.08109	55.2
392.08630	2.1
405.09900	1.3
415.18735	2.2
433.09210	26.0
434.09610	1.4
451.10272	100.0
452.10730	3.7
465.43954	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.5
55.01869	5.4
55.05513	24.2
57.03436	15.3
63.10812	1.8
65.03947	4.6
67.05510	100.0
69.03426	2.2
69.06711	2.7
69.07076	31.4
71.01356	5.8
71.04993	10.0
71.56600	2.5
71.57047	1.5
79.05502	81.5
81.03433	6.4
81.07066	91.9
83.04991	16.1
83.08624	14.8
85.02921	2.1
85.06564	7.5
91.05484	35.7
91.06009	2.8
93.07053	86.4
95.04958	11.5
95.08619	22.5
97.06539	17.4
97.10162	8.4
99.08126	5.7
105.07032	14.0
107.04966	3.7
107.08607	51.0
109.06542	5.1
109.10159	8.9
111.08094	8.2
111.11700	2.0
113.06083	2.0
117.07045	12.2
119.04945	4.7
119.08604	10.1
121.06548	2.6
121.10147	18.4
123.11676	2.4
125.09660	2.0
131.08572	9.7
133.10155	7.5
134.86421	1.7
135.08046	3.6
135.11708	53.8
135.12706	3.2
137.09657	2.3
139.11212	2.7
145.10081	9.0
147.04424	20.8
147.11726	3.5
149.13280	32.5
153.12787	2.3
159.11673	13.7
163.11206	5.7
171.11717	3.0
177.12781	5.4
181.12178	8.6
186.02609	1.7
195.13846	9.3
213.14897	3.7
251.16512	2.0
269.16846	1.6
287.05527	11.7
288.05865	2.0
294.18533	2.1
303.05051	2.6
395.74030	1.7
420.32901	2.3
449.29092	73.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07095	5.8
53.03936	8.9
55.01871	12.0
55.05515	31.1
57.03442	16.7
57.07081	18.5
66.53557	5.3
67.05510	62.4
69.03434	30.3
69.07076	25.8
70.12070	22.9
71.01382	7.9
71.08616	5.3
79.05498	51.4
81.03413	27.6
81.07063	64.6
83.04973	11.0
83.08633	18.0
85.02909	24.5
85.06541	8.9
87.04456	5.6
91.05489	100.0
93.07058	58.2
95.04948	14.1
95.08624	48.0
97.02905	12.2
97.06564	11.0
97.10170	6.4
98.98460	10.7
105.07043	68.5
106.07341	6.7
107.04967	11.1
107.08602	37.2
109.02876	5.9
109.10184	18.8
111.04452	9.3
111.08073	6.8
117.07031	51.0
119.08593	38.0
121.06551	8.1
121.10182	24.9
127.03946	7.7
128.06250	9.9
129.05534	9.1
129.06978	33.7
131.08583	66.5
133.10159	34.3
135.08025	7.7
135.11703	7.6
136.99989	10.8
137.09641	8.2
141.07014	12.2
143.08589	20.6
144.75604	5.0
145.10130	37.4
147.11755	14.1
149.09529	8.6
149.13330	6.9
155.01038	9.0
155.08578	17.7
157.10170	19.0
159.11705	12.5
161.09602	9.4
161.13289	8.5
163.14824	5.5
169.10194	17.8
171.11717	20.8
173.09676	6.6
173.13326	14.8
175.11264	6.7
175.14836	11.5
181.10115	10.8
183.11717	12.5
185.13287	19.9
187.14761	15.8
189.12767	11.7
189.16501	10.6
193.10156	6.9
195.13719	5.0
197.13301	9.3
199.14778	12.5
201.16470	8.4
203.14429	7.6
203.17973	16.0
205.16020	7.2
211.14835	6.5
213.16431	9.6
225.16383	5.7
227.14386	5.5
251.18237	5.8
267.21194	11.5
269.22665	23.5
281.22757	6.8
285.22162	26.4
287.05490	14.4
287.23792	32.2
299.23633	7.1
311.23468	6.0
324.61172	5.6
329.24548	8.3
340.38852	6.7
395.25732	13.8
413.26801	14.8
431.28082	21.2
438.28745	5.5
449.29755	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	449.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.7
55.01876	8.9
55.05509	31.3
57.03440	16.3
57.07075	16.1
61.02929	7.6
67.05516	84.3
69.03432	18.7
69.07066	38.3
69.77264	30.1
71.04998	9.4
71.08624	16.1
73.02897	8.0
79.05505	55.6
81.03420	30.3
81.07056	70.0
83.04971	18.6
83.08631	20.1
85.02913	24.8
85.10187	6.4
91.00266	4.5
91.05487	100.0
93.07047	60.7
95.04984	12.4
95.08624	51.9
97.02902	12.5
97.06502	7.9
97.10143	10.9
98.98479	5.4
99.04459	5.4
105.07038	80.8
107.04991	5.4
107.08602	37.7
109.02911	6.1
109.06528	11.5
109.10162	18.5
111.04433	5.4
111.08050	6.4
115.05472	8.9
117.07029	57.3
119.08586	46.1
121.06534	8.4
121.10148	34.7
123.08140	5.6
125.09589	6.7
127.03941	8.5
128.06296	7.3
129.05511	7.2
129.07001	37.5
131.08580	61.9
133.06519	10.2
133.10126	33.1
135.08049	9.0
135.11671	12.4
136.99998	14.4
141.07010	17.2
143.08603	29.8
145.06453	5.5
145.10141	41.2
147.08089	9.4
147.11742	23.6
149.09654	9.2
149.13304	6.0
155.01140	9.5
155.08572	14.5
157.10175	24.8
159.08165	5.5
159.11716	22.1
161.09636	12.2
161.13289	13.0
163.11227	5.8
167.08601	6.3
169.10161	15.2
171.11716	25.5
173.13306	11.2
175.14830	15.8
181.01550	5.6
181.10097	5.4
183.11713	13.6
185.13278	22.0
187.11272	6.7
187.14888	9.5
189.12837	7.6
189.16408	8.8
195.11766	10.2
197.13335	10.3
199.11417	6.2
199.14859	13.9
201.12759	9.2
201.16389	18.6
203.14273	6.2
203.17963	17.8
211.14873	9.7
213.16455	8.8
215.14352	5.9
215.17889	9.1
227.18057	8.3
243.21114	7.5
267.21057	16.2
269.22617	19.4
271.17236	5.6
281.22958	5.5
285.22253	25.9
285.25156	5.5
287.05539	25.6
287.23752	30.1
299.23700	7.2
303.04996	6.1
311.23492	7.1
313.27173	5.2
329.24863	11.5
395.25812	16.7
413.26889	14.5
426.14096	9.3
431.27979	23.0
449.29733	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	449.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.8
55.01880	22.8
55.05518	36.6
57.03442	15.5
63.60379	2.0
67.05511	73.7
68.92359	2.6
69.03436	5.1
69.06767	2.5
69.07073	25.4
69.44981	14.4
71.04987	8.8
79.05499	80.7
81.03431	20.0
81.07063	100.0
83.01317	2.3
83.04999	14.3
83.08618	19.4
85.02888	7.9
85.06548	2.9
91.05489	63.1
93.07053	62.1
95.04980	55.7
95.08613	64.6
95.09229	3.2
97.02916	2.5
97.06530	9.3
97.10177	25.1
99.04449	3.1
99.08088	4.2
105.07041	37.8
107.04975	22.9
107.07962	3.3
107.08609	37.6
109.06528	21.1
109.10182	20.0
111.04428	8.6
111.08089	3.7
115.05445	5.3
117.07019	30.1
119.07904	2.8
119.08604	30.4
121.02873	6.0
121.06517	19.6
121.10154	20.7
123.04406	11.0
123.08068	48.9
123.11742	3.2
125.05996	7.4
125.09631	22.8
127.03909	2.5
128.06212	2.7
129.06972	13.9
131.08563	26.4
133.06464	9.2
133.10164	18.1
135.04430	5.7
135.08069	20.8
135.11711	10.8
137.06020	3.1
137.09587	7.3
139.03870	3.1
139.11165	3.3
141.06970	7.7
142.07730	2.5
143.07031	4.1
143.08565	12.8
145.06470	12.4
145.10126	27.4
145.30272	2.3
147.04384	7.6
147.08035	11.4
147.11717	3.9
149.05949	2.6
149.09607	7.7
149.13226	4.7
151.07521	11.3
151.11183	5.1
153.09111	4.5
153.12738	3.2
155.08589	5.2
157.06508	5.0
157.10086	7.4
159.08046	4.5
159.11690	13.0
161.06029	4.3
161.09598	11.8
163.07576	7.0
163.11205	26.8
165.09116	7.4
167.08545	6.1
167.10716	6.5
169.10150	9.5
171.08038	7.3
171.11641	5.4
173.09622	5.7
175.11189	6.6
175.14845	3.3
177.12720	4.7
179.10808	3.7
181.10109	3.1
183.10223	3.1
183.11708	3.6
184.60815	2.4
185.09630	7.5
187.11212	20.5
189.09143	4.6
189.11192	11.5
189.12730	4.6
191.10660	6.7
193.12291	4.2
199.11214	7.0
201.09180	2.6
201.12685	3.4
203.10648	4.5
205.12236	11.0
205.15866	3.3
207.13847	2.4
209.09709	3.0
209.11737	3.1
213.12798	2.9
223.13329	7.1
227.10828	4.2
227.12814	6.6
231.13948	2.8
233.15280	3.1
241.12201	2.6
245.11803	5.3
247.17082	2.7
259.13364	8.5
261.15146	2.7
273.14722	3.4
283.15390	6.6
283.20514	3.0
287.05460	14.8
293.18997	3.5
299.59744	2.4
303.04907	2.3
305.17471	2.9
311.19995	14.8
321.18542	4.8
329.21100	38.2
339.19571	41.2
349.12744	2.6
357.20630	81.9
375.21536	13.5
403.24609	2.7
413.23251	6.8
431.24182	43.1
449.25287	75.1
450.25500	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	449.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	8.5
54.05619	2.1
55.01878	18.9
55.05513	26.6
57.03438	10.7
57.07070	2.9
60.16181	1.9
65.03937	5.4
67.05503	78.9
69.03425	7.2
69.06712	3.9
69.07066	45.1
70.12711	3.7
70.13114	7.3
71.04990	12.6
73.06551	4.1
77.80898	1.8
79.05494	84.4
80.26881	2.0
81.03432	15.2
81.06570	4.5
81.07058	80.2
83.01323	2.9
83.04988	14.3
83.08622	13.7
85.02899	6.7
85.06523	5.2
91.05479	100.0
93.07049	61.9
95.04976	27.9
95.08608	37.6
97.02888	3.0
97.06544	19.0
97.10171	11.4
99.04463	3.5
99.08075	5.6
103.05463	3.3
105.03419	2.9
105.04521	2.5
105.07028	51.3
105.07676	4.3
107.04957	21.5
107.08596	52.4
109.06535	15.6
109.10149	29.6
111.04427	4.3
111.08096	4.0
111.66252	2.2
113.05953	2.3
115.05447	8.0
115.07536	2.5
117.07018	43.0
119.04934	2.2
119.08588	24.5
121.02882	4.9
121.06496	11.8
121.10131	16.6
123.04433	3.9
123.08052	7.7
123.11701	7.3
125.06002	10.9
125.09649	14.0
127.03899	2.2
128.06239	2.6
129.07028	11.1
131.04938	2.8
131.08586	21.3
133.06468	10.7
133.10132	41.7
135.04442	5.7
135.08044	43.7
135.11703	6.4
137.05960	4.6
137.08688	2.8
137.09560	11.9
139.03842	2.2
139.07471	2.4
139.11183	2.2
141.06998	3.3
142.07788	4.1
143.07005	13.5
143.08560	8.6
145.06453	12.0
145.10141	13.1
147.04378	2.9
147.08051	9.1
147.11702	8.2
149.05939	2.2
149.09615	7.6
149.13257	10.9
151.07530	3.5
151.11177	18.9
153.09128	14.3
155.08572	6.3
157.06512	4.4
157.10127	10.2
159.08058	4.0
159.11734	13.4
161.06012	3.2
161.08101	5.4
161.09618	14.7
161.13249	3.1
163.07570	12.4
163.11122	3.2
165.06879	2.3
165.09090	5.3
165.12814	2.5
167.08560	5.6
169.10101	6.0
169.12227	2.2
171.08069	2.7
171.11765	9.5
173.09639	7.3
173.13278	5.9
175.11189	5.2
177.09085	10.2
177.12704	4.7
179.10712	6.0
181.08575	5.5
181.10059	3.2
183.11719	2.7
185.09584	2.5
185.13235	4.5
187.11215	6.4
187.14787	2.6
189.09232	2.3
189.11182	2.4
189.12767	3.4
191.10678	2.5
193.12190	2.7
195.10048	2.1
195.11877	3.0
195.13826	5.7
197.13223	3.5
199.09558	3.5
199.11186	5.3
201.09149	3.7
203.17842	2.0
213.12712	6.2
215.10706	3.8
215.14293	4.5
221.11671	2.4
227.10588	3.0
227.18106	2.6
229.12231	3.9
231.10074	2.7
231.13951	3.4
233.15393	4.4
241.12454	3.5
247.12959	2.5
255.13701	2.3
259.13278	3.6
287.05548	19.2
287.12527	2.7
287.16266	2.1
293.19016	3.6
303.05023	4.4
311.20074	17.8
321.18542	3.4
325.90237	2.6
329.21109	15.9
339.19559	33.2
357.20596	68.9
375.21616	8.0
385.30951	4.0
403.24774	2.8
413.23325	3.9
413.30640	5.0
431.24045	31.6
431.29272	2.4
449.18625	2.6
449.25317	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	449.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
54.94078	0.5
55.05526	3.9
55.32312	0.4
57.03426	1.5
67.05497	2.7
69.07068	2.5
71.56870	0.6
75.51849	0.5
79.05494	2.3
81.07054	3.3
83.08608	1.9
87.05138	0.5
89.03925	5.8
91.05495	1.3
91.83141	0.5
93.07060	3.0
94.47170	0.5
95.04943	0.6
95.08629	2.4
97.06548	1.0
97.10141	1.2
107.08589	1.8
117.03381	17.1
117.07040	0.4
121.10160	1.5
125.52547	0.4
131.08566	0.5
131.50354	0.4
134.03671	1.3
135.04443	1.4
135.11752	0.7
145.02855	43.1
145.10115	0.7
146.03259	0.5
149.02306	0.6
149.05995	5.3
153.01830	0.6
163.03932	1.9
172.90369	0.4
177.05479	100.0
178.05809	0.9
186.05536	1.8
193.05055	0.5
195.06569	1.2
287.05450	1.8
303.04956	0.6
449.25153	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	449.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.2
55.01855	0.4
55.05264	0.1
55.05515	2.6
57.03441	1.3
57.07078	0.4
63.02378	0.3
63.09923	0.1
67.05512	1.6
67.41750	0.1
69.07069	2.0
70.16519	0.6
77.53634	0.1
79.05499	2.1
79.94176	0.1
81.07072	1.3
83.08618	1.2
85.06532	0.2
89.03919	4.7
91.05473	0.4
93.07040	1.2
95.04966	0.3
95.08604	1.5
97.06539	0.5
97.10172	0.6
105.07005	0.2
107.04961	1.9
107.08585	0.6
108.19250	0.1
108.94022	0.1
109.10165	0.5
111.11694	0.1
117.03384	6.2
117.06967	0.2
121.10120	1.0
132.73489	0.1
133.48598	0.1
135.04428	13.6
135.11668	0.3
145.02858	10.2
146.03250	0.2
151.30904	0.2
158.06082	0.2
163.03914	100.0
164.04250	0.9
177.16383	0.4
181.04985	1.4
186.05536	0.5
217.26567	0.1
219.06580	0.2
237.07626	0.4
269.21191	0.2
287.05414	0.5
330.20520	0.2
397.68973	0.1
449.25299	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	449.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.5
55.01874	23.9
55.05516	50.5
57.03449	20.9
57.62909	2.6
59.05004	3.2
61.21481	2.3
61.60696	2.8
63.89324	2.5
65.03912	2.9
67.05172	3.5
67.05508	66.5
69.03424	10.3
69.07073	24.1
71.01351	3.7
71.04984	9.2
71.57063	4.1
73.75504	2.5
79.05055	5.5
79.05499	84.8
81.03417	25.7
81.07065	93.8
83.01345	4.8
83.04971	19.7
83.08628	26.7
85.02888	8.2
85.06533	4.8
91.05486	53.8
93.07052	60.2
95.04977	53.2
95.08614	72.1
97.02876	5.8
97.06506	8.9
97.10172	28.2
99.04423	4.7
99.08085	4.2
103.05473	5.4
105.07048	35.0
107.04968	24.5
107.08601	32.1
109.02874	4.7
109.06528	23.3
109.10151	19.2
111.04445	12.0
111.08089	8.0
115.05486	5.6
117.07034	26.0
119.04945	4.0
119.08572	27.8
121.02857	5.5
121.06511	21.0
121.10146	31.3
123.04429	7.9
123.08083	60.1
123.11675	5.0
125.05995	5.4
125.09631	24.7
128.06244	5.4
129.07019	15.1
131.08582	26.4
133.06479	7.9
133.10159	16.9
135.04379	3.3
135.08055	15.6
135.11723	15.7
137.05984	15.5
137.09613	6.1
139.11197	6.6
141.07004	7.8
143.08557	15.2
145.06482	10.6
145.10130	23.8
147.04436	7.7
147.08023	11.9
147.11658	9.4
149.06024	4.8
149.09612	15.1
149.13284	4.2
151.07590	17.0
153.09079	4.9
153.12701	3.9
155.08597	3.5
157.06520	5.7
157.10109	9.7
159.08002	7.6
159.11708	11.6
161.05945	5.3
161.09601	6.2
163.07567	4.1
163.11188	31.4
165.06969	3.2
165.09169	4.2
167.10696	7.1
169.10164	6.2
171.07994	6.7
171.11737	7.7
173.09627	6.0
173.13255	4.8
175.11215	6.5
177.12761	4.5
179.10672	3.8
181.09979	2.8
181.12233	8.2
185.09653	11.6
185.13304	3.7
187.11180	17.0
189.09100	5.0
189.11221	13.8
189.12778	5.6
191.10689	8.4
193.12225	7.9
195.11867	4.3
199.11200	6.8
203.10663	3.9
205.12221	17.7
209.11752	8.0
213.09111	5.1
223.13217	6.8
227.10648	7.1
227.12758	10.4
229.12219	4.4
241.12387	3.6
245.11615	6.1
259.13272	5.5
283.15399	5.2
287.05530	23.6
297.18433	3.9
303.05197	4.6
311.19958	14.8
321.18509	7.9
329.21130	32.2
339.19562	42.2
357.20645	71.7
362.26813	2.7
375.21548	17.3
405.22418	3.3
413.22977	5.5
413.30841	3.7
431.24194	44.5
449.25269	100.0
458.14490	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	449.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.9
55.01857	4.5
55.05514	19.6
57.03432	3.0
57.07070	2.2
61.02911	2.6
65.03928	2.5
67.01862	2.1
67.05171	2.5
67.05505	39.1
68.99792	10.6
69.03421	5.2
69.07071	14.2
70.03020	6.6
71.04983	5.6
79.05492	27.3
81.03406	5.0
81.07059	40.9
83.04997	10.0
83.08624	13.3
84.08120	1.5
85.02903	5.8
85.06537	4.5
91.05479	24.9
91.95750	1.5
93.07047	23.3
95.04974	9.0
95.08607	43.5
97.02889	2.8
97.06541	10.1
97.10179	12.1
99.04451	1.9
99.08102	2.2
105.07031	20.2
107.04948	8.1
107.08589	17.4
109.02830	2.0
109.06524	7.8
109.10163	17.0
111.00812	20.6
111.04418	4.0
111.08092	6.2
116.76183	1.7
117.07002	9.5
119.08586	19.8
121.06521	6.1
121.10139	15.2
123.04441	4.1
123.08072	5.9
123.11688	5.2
125.05994	7.4
125.09606	6.1
127.03919	100.0
129.06999	4.8
131.08568	8.1
133.06480	3.0
133.10146	13.8
135.07108	1.6
135.08076	5.2
135.11690	5.3
137.06047	1.7
137.09610	5.8
137.13249	3.0
139.03905	31.3
141.05487	2.4
141.06992	2.2
142.07870	1.8
143.08563	7.3
145.10135	6.9
147.04478	2.6
147.08037	3.5
147.11670	6.2
149.09633	5.3
149.13173	2.5
151.07567	3.2
151.11130	2.7
153.09138	3.0
155.08565	2.0
157.10094	5.6
159.11661	4.4
161.09563	3.6
161.13272	11.4
163.07492	1.9
163.11209	3.7
163.14821	2.0
165.05507	2.1
165.09047	2.3
167.07060	2.0
167.10646	1.8
169.10094	4.1
171.11707	4.1
173.13254	2.0
175.14828	7.1
179.14227	1.9
181.08699	1.8
181.12201	2.8
185.09570	2.1
185.13300	5.1
187.11244	2.8
187.14883	2.4
189.12727	2.1
193.15849	2.5
195.10127	2.3
197.13266	2.4
197.15343	1.6
199.14841	3.3
201.12831	1.9
203.10530	1.9
203.14328	2.8
205.12160	2.3
205.15837	3.6
221.15302	5.2
227.14380	1.9
235.17035	2.7
259.16812	3.8
263.16443	4.0
277.17975	14.2
281.17438	2.3
287.05423	12.7
287.16263	4.3
303.04999	2.5
305.17462	61.1
311.20203	2.7
323.18518	58.5
339.19424	3.0
339.23203	3.5
357.20218	3.2
357.24213	7.0
375.25452	3.6
389.19534	2.1
405.22836	1.9
408.03937	1.7
413.30627	2.5
431.20313	8.3
431.28070	4.3
449.21298	18.1
449.29745	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	449.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.01873	6.5
55.05519	22.9
57.03439	4.6
57.07086	2.3
61.31521	1.5
63.93015	1.6
65.03952	2.9
67.05511	30.8
68.99799	17.0
69.03430	3.6
69.07081	17.0
71.05007	2.7
71.56612	2.0
79.05500	23.9
81.03418	6.1
81.07069	40.5
83.05002	11.8
83.08624	12.6
85.02907	3.6
85.06549	3.5
87.00843	2.2
91.05493	18.4
93.07064	21.7
95.04984	11.5
95.08623	35.3
97.02916	2.9
97.06541	14.1
97.10177	7.6
99.04460	1.7
99.08089	1.8
105.07063	11.8
107.04953	5.1
107.08614	16.2
109.02891	4.2
109.06544	4.5
109.10167	16.2
111.00818	37.9
111.04468	8.2
111.08102	4.6
115.04002	2.0
117.07065	8.8
119.08604	17.5
121.06553	4.2
121.10162	11.7
123.04443	4.4
123.08076	8.9
123.11723	4.9
125.06013	4.9
125.09561	3.4
127.03931	70.8
128.04282	4.6
129.07014	3.1
131.08577	7.7
133.06522	2.6
133.10172	13.2
135.08084	6.0
135.11711	5.2
137.05994	5.2
137.09627	10.7
139.03920	46.6
139.07585	2.5
139.11209	2.5
143.07111	1.8
143.08565	4.8
145.06480	2.1
145.10146	6.8
147.08060	5.4
147.11729	6.7
149.06041	2.0
149.09659	4.4
149.13301	2.8
151.03917	3.6
151.07603	4.0
151.11186	3.7
151.14825	2.1
153.09119	2.9
157.10152	6.8
159.11702	5.1
161.09641	4.0
161.13283	6.1
163.07542	3.3
163.11206	3.3
165.05531	3.9
165.09143	36.4
167.07109	2.9
171.11728	3.9
173.13348	2.1
175.07657	1.7
175.11140	2.3
175.14848	12.6
179.10672	4.0
181.08664	2.7
181.12279	2.1
182.45308	1.7
185.13274	2.6
186.81612	1.7
187.11258	3.3
189.16376	2.6
193.15918	3.0
194.03282	1.6
195.10211	4.4
199.11179	2.4
199.14799	3.8
203.14293	2.2
209.11664	2.8
217.15970	4.6
221.11847	2.0
221.15404	5.7
223.13074	2.3
229.62193	1.7
231.17381	2.9
235.16995	4.6
259.16867	2.6
263.16403	4.1
277.18005	54.8
287.05530	15.9
287.16470	5.1
303.04755	2.9
305.17502	100.0
306.18054	2.2
322.17328	2.1
323.11469	1.7
323.17999	8.3
339.19598	3.0
340.36569	1.7
347.18564	2.0
389.19623	5.5
431.20602	34.5
440.72565	1.9
449.21255	11.6
449.29013	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1079
Annotation	Quercitrin
Peak:m/z	Relative Intensity
57.03440	8.2
58.35252	0.7
61.71110	0.6
68.99796	0.6
71.08022	1.7
73.02906	2.9
75.04486	24.5
81.03389	0.6
85.02908	4.1
85.08162	0.7
99.16338	0.7
104.34633	0.7
116.82836	0.7
121.02902	1.2
137.02365	3.4
153.01851	3.9
154.46094	0.7
162.97783	0.7
165.01846	2.0
173.06075	0.8
201.05508	1.7
214.93428	0.8
220.29338	0.7
229.05034	5.4
257.04456	3.1
287.05499	6.8
303.05014	100.0
304.05365	2.9
414.84866	0.8
430.38782	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.108
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
53.03925	0.1
56.82724	0.1
65.03936	0.1
65.93884	0.1
68.72167	0.1
68.99789	0.7
69.03436	0.2
70.06574	0.1
71.04982	0.1
71.07951	0.1
71.08258	0.1
79.05473	0.2
81.03429	0.2
85.02898	0.3
94.22205	0.1
97.02876	0.1
105.03387	0.4
107.04953	0.6
109.02858	0.4
111.00800	0.9
111.04437	0.2
119.04910	0.1
121.02876	3.3
121.03833	0.2
127.03886	0.2
129.06982	0.1
133.02872	0.8
135.04414	0.2
137.02338	1.8
137.03378	0.1
138.02635	0.1
139.03908	0.1
141.06981	0.2
145.06462	0.2
147.04408	0.7
151.07057	0.1
153.01834	4.7
154.02216	0.1
157.06519	0.5
161.06032	0.2
163.03864	0.1
164.79973	0.1
165.01845	2.4
165.37692	0.1
171.04417	0.3
175.03960	0.2
176.03929	0.1
183.02895	1.1
185.05971	0.6
189.05510	0.2
193.01515	0.1
197.06007	0.2
199.03868	0.1
203.03459	0.2
203.06995	0.2
208.06139	0.2
213.05484	1.7
214.09473	0.2
216.04303	0.1
229.04929	0.1
231.06560	0.7
241.04968	1.0
243.06436	0.1
245.04265	0.1
245.09138	0.1
258.05295	1.5
259.06049	0.5
269.04474	0.4
287.05502	100.0
288.05807	1.7
303.04993	0.3
449.10382	0.6
449.15698	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2174
Annotation	Rabdosin B
Peak:m/z	Relative Intensity
53.03943	3.9
55.01865	6.6
55.05516	30.3
57.03425	5.9
57.07066	4.8
67.05513	35.2
68.99798	22.0
69.03419	6.7
69.07075	38.4
71.04983	5.9
71.08597	2.1
71.56462	1.9
79.05122	2.5
79.05502	28.8
81.03422	6.6
81.07063	43.3
83.04978	9.1
83.08631	21.3
85.02905	5.8
91.05482	26.5
93.07059	30.8
95.01244	2.0
95.04990	9.6
95.08619	27.1
97.02900	4.3
97.06522	14.7
97.10201	14.6
103.05468	2.3
105.07056	16.1
107.04962	11.3
107.08603	31.4
109.06518	7.5
109.10159	16.4
111.00818	39.4
111.04450	11.0
111.08094	7.4
111.11755	2.4
113.21171	2.2
117.07021	12.3
119.08578	18.3
120.83431	2.0
121.06506	7.1
121.10153	19.0
123.04438	3.6
123.08150	3.9
123.11722	5.9
124.33669	1.9
125.05994	10.7
125.09618	10.0
127.03930	20.0
128.06219	2.3
129.07005	6.2
131.08566	14.0
133.06482	3.6
133.10161	9.8
135.08043	7.1
135.11685	10.1
137.02354	2.7
137.05949	2.2
139.02930	3.5
139.03920	43.9
139.07600	4.1
141.06990	4.4
143.07057	4.1
143.08583	4.7
145.06511	2.5
145.10181	9.4
147.08078	4.6
147.11667	6.9
149.06003	4.7
149.09673	5.4
149.13251	9.3
151.07506	3.1
153.05466	10.2
153.09073	4.1
157.10150	4.1
159.11722	5.0
161.09615	2.9
161.13240	3.4
163.03938	2.6
163.11255	3.4
163.14847	7.5
165.09041	4.1
167.06973	4.4
167.14220	2.2
169.10146	3.2
171.10278	2.7
171.11649	3.8
173.09619	2.4
173.13249	7.3
175.07524	2.0
176.04691	2.7
181.08665	4.8
181.10085	2.4
183.11630	4.0
185.13257	2.8
187.14824	2.6
189.05461	4.7
189.11206	2.7
189.12714	2.5
191.14296	6.8
195.10136	4.7
195.11725	3.5
205.15889	6.9
209.15353	13.6
213.12752	2.8
215.14342	3.6
227.16388	4.8
229.18034	4.7
231.13826	2.8
251.16458	49.1
253.18172	2.5
259.17200	2.5
261.18515	7.2
263.16431	8.6
279.15933	72.1
287.05585	15.3
295.19064	15.0
301.18060	3.9
303.05078	3.3
303.19559	9.1
305.17310	2.5
311.20007	2.3
323.18372	5.6
327.19458	4.2
329.17462	23.6
339.19534	5.0
339.23297	5.5
345.20743	14.5
347.18613	7.1
357.20364	3.5
357.24197	11.5
371.18616	47.8
375.25439	3.8
387.21503	9.7
389.19620	19.8
413.19559	66.4
431.20633	100.0
431.27737	9.2
449.21255	15.8
449.29141	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	449.1078
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
54.14238	0.6
55.01840	0.6
56.09030	0.5
57.03417	0.8
58.13397	0.7
61.02925	6.6
62.16058	0.7
64.34132	0.5
68.99780	0.8
69.03426	1.4
70.37540	1.4
70.37934	1.1
73.02924	1.3
85.02898	5.0
91.03963	2.7
97.02880	3.5
109.02883	0.8
111.00800	1.0
121.02869	3.8
123.24839	0.8
127.03937	0.9
137.02393	1.0
145.04935	0.8
147.04396	0.7
153.01831	5.2
157.06430	0.8
165.01872	2.1
183.02910	1.1
213.05470	1.1
241.04881	1.1
248.57973	0.6
258.05237	1.4
259.06097	0.7
286.75253	0.6
287.05505	100.0
288.05801	2.7
346.48892	0.6
385.83490	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1081
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
51.36351	0.3
53.03939	0.7
55.01867	0.7
57.03426	1.0
60.63138	0.3
61.02912	1.2
68.99785	0.7
69.03433	3.3
70.32227	0.3
71.20104	0.2
71.25586	0.5
77.69330	0.3
79.05476	0.4
81.03439	1.6
84.14279	0.3
85.02431	0.6
85.02911	9.2
85.03430	0.5
87.04443	0.3
91.03933	0.6
93.64931	0.3
95.21684	0.3
97.02892	3.2
105.03357	0.3
107.04958	0.5
109.02880	1.0
111.00796	0.9
121.02859	3.5
127.03914	1.6
127.06837	0.3
137.02351	1.3
145.05002	1.4
147.04419	0.7
153.01848	4.5
157.06471	0.7
165.01810	2.3
171.04453	0.4
183.02910	0.7
185.05945	0.5
207.76089	0.3
213.05508	1.4
231.06531	0.5
241.04971	1.1
258.05209	1.5
259.05994	0.3
287.05511	100.0
288.05847	2.6
371.14197	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1078
Annotation	Quercitrin
Peak:m/z	Relative Intensity
50.77202	1.7
57.03439	4.3
70.70747	5.0
70.71100	1.9
71.05001	26.9
71.86359	1.6
78.51180	1.9
80.05781	1.7
81.44343	1.7
81.67266	1.8
85.02904	27.1
89.74785	1.7
90.07607	1.5
92.93776	1.7
103.68421	1.8
121.02886	2.0
123.99484	1.9
129.05495	6.6
137.02274	2.4
153.01830	2.9
179.51169	1.7
217.99300	1.8
229.04948	3.1
257.04495	2.4
287.05508	20.5
303.05005	100.0
304.05203	2.4
373.54025	1.8
380.06110	1.7
417.50778	2.1
435.81577	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1079
Annotation	Quercitrin
Peak:m/z	Relative Intensity
57.03433	4.2
67.59639	0.7
68.99776	1.3
71.04995	24.3
71.40293	0.7
75.04457	0.8
78.01195	0.6
83.04988	0.7
85.02908	24.3
87.04465	1.1
109.02888	0.7
111.00826	1.2
111.04429	0.6
121.02885	1.4
129.05476	4.7
137.02333	3.2
147.06509	1.0
149.02330	0.6
153.01839	4.6
159.04424	0.8
163.03902	0.9
165.01855	2.3
181.27394	0.5
183.02864	0.8
189.20326	0.6
201.05490	1.6
229.04991	4.3
247.05963	0.7
257.04382	3.7
274.04663	1.0
277.65640	0.6
285.04099	1.0
287.05521	2.0
303.05008	100.0
304.05344	2.4
315.04929	0.9
329.63776	0.6
345.06104	1.4
395.07703	0.7
401.66745	0.7
413.08203	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1081
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
55.01862	0.3
57.03425	0.5
61.02929	6.6
67.01888	0.2
68.99779	1.1
69.03428	1.1
69.59718	1.0
71.01329	0.2
73.02924	1.6
79.05495	0.2
80.59215	0.1
81.03419	0.5
85.02909	5.3
90.81442	0.1
91.03403	0.2
91.03960	3.0
95.04968	0.2
96.78674	0.1
97.02892	2.6
98.20825	0.3
99.04436	0.2
105.03372	0.5
107.04966	0.4
109.02866	0.4
111.00822	1.0
113.41859	0.1
115.03909	0.2
121.01990	0.2
121.02872	3.5
127.03910	1.0
133.02869	0.6
137.02348	0.9
145.04980	0.4
145.06509	0.3
147.04408	1.0
153.01836	5.2
157.06487	0.5
161.05977	0.2
165.01843	2.2
171.04410	0.3
173.06046	0.2
176.34352	0.1
183.02919	1.2
185.05942	0.5
189.05540	0.2
197.06093	0.2
203.06969	0.2
213.05482	1.9
229.04919	0.2
231.06540	0.7
241.04941	1.1
258.05234	1.4
259.06006	0.5
269.04575	0.2
287.05502	100.0
288.05820	3.0
299.05692	0.8
313.51477	0.2
325.06854	0.3
329.06491	0.6
339.08704	0.2
353.06445	0.5
383.07874	0.1
419.76733	0.1
431.09845	0.3
449.10196	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1081
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
51.36179	0.1
58.21212	0.1
68.99792	0.6
69.03432	0.2
70.06590	0.2
71.56945	0.3
79.05473	0.2
81.03407	0.2
85.02910	0.8
94.01008	0.1
95.04958	0.2
97.02858	0.2
104.50432	0.2
105.03352	0.3
107.04943	0.8
109.02871	0.4
111.00800	0.7
111.04465	0.2
119.04940	0.2
121.02872	3.2
127.03933	0.5
129.06953	0.2
133.02840	0.5
135.04401	0.2
137.02362	1.0
141.07074	0.2
145.06471	0.3
147.04398	0.9
147.86491	0.2
153.01837	4.9
157.06483	0.6
161.06053	0.2
165.01846	2.1
171.04430	0.4
175.03874	0.2
175.77826	0.1
183.02878	1.1
185.05980	0.5
197.06010	0.2
201.05522	0.3
203.03474	0.3
203.06914	0.2
213.05479	1.8
229.04871	0.2
231.06572	1.0
241.04959	1.0
243.06396	0.2
258.05212	1.1
259.06088	0.4
269.04343	0.2
276.28366	0.1
287.05499	100.0
288.05829	2.1
299.05585	0.3
449.10788	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.4
53.74429	4.6
55.01867	6.1
57.03440	50.4
61.02916	21.4
61.39915	4.7
69.03438	58.9
70.96185	9.7
70.96516	5.9
71.01362	7.1
73.02921	100.0
79.02406	4.8
80.22564	5.2
85.02906	94.8
87.04475	6.4
91.05476	13.9
97.02891	82.2
109.02878	5.5
115.03950	60.1
121.02859	9.1
121.10097	5.4
127.03907	31.1
133.04965	22.4
137.02339	6.5
137.05988	13.9
145.04965	40.2
150.07587	9.9
163.06056	6.9
163.44431	4.8
165.09152	11.8
180.08653	11.5
193.04961	6.1
241.07239	8.6
256.27124	5.2
287.05557	14.7
299.05484	8.5
449.08545	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	448.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24146	1.0
55.05505	4.1
57.07077	4.6
58.07411	1.8
63.94973	0.9
63.98592	0.9
67.05490	4.1
67.66768	1.0
69.07068	6.6
70.07408	1.7
70.87061	2.3
71.08621	3.6
81.07063	1.5
83.08617	4.6
84.08961	1.0
85.10190	3.0
87.73875	0.9
93.07073	1.9
95.08593	1.9
97.10160	2.9
105.39211	0.9
109.10186	4.7
111.11741	1.7
117.37089	0.9
119.08585	3.7
121.06520	12.9
122.07301	2.8
124.64290	1.0
134.22453	1.0
135.08055	1.6
136.08858	14.5
137.09619	13.2
139.07550	1.2
149.02351	4.1
149.09601	1.5
150.02719	1.8
152.08202	1.2
160.31192	1.0
164.08351	32.6
165.09131	100.0
166.09482	3.6
167.07060	1.9
177.09029	1.8
181.08606	1.5
187.11223	1.5
190.09819	1.4
191.10764	1.6
205.12250	8.1
322.38956	1.1
430.38107	63.5
431.38455	2.2
448.38699	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	449.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.3
55.01888	20.9
55.05515	42.6
57.03443	21.9
57.07074	3.4
61.02933	3.9
64.73948	2.4
65.03947	7.5
66.81736	2.6
67.05178	3.3
67.05510	51.3
68.99785	9.2
69.03078	3.8
69.03436	59.2
69.07067	19.8
70.06615	2.7
70.17138	8.0
71.01369	5.9
71.04982	11.6
73.02910	6.9
73.24194	2.5
79.05496	54.0
81.03419	57.7
81.07065	72.6
83.04990	21.5
83.08611	12.2
85.02908	88.9
85.06541	7.1
87.00838	31.4
91.05491	44.7
93.03391	3.0
93.07045	49.0
95.04986	35.0
95.08608	67.0
96.75483	2.7
97.02277	5.3
97.02901	100.0
97.06533	7.7
97.10170	20.7
98.44056	2.8
99.04488	14.8
103.03920	3.9
103.05487	4.5
105.01879	6.8
105.07043	34.1
107.04964	19.0
107.08592	31.8
109.02880	33.9
109.06519	19.4
109.10162	24.9
111.04452	21.3
111.08084	6.3
113.02302	3.4
113.05966	3.0
113.09603	3.1
115.03925	13.1
115.05447	3.7
117.01891	5.3
117.07065	17.9
119.04929	3.3
119.08567	25.8
121.02883	3.6
121.06510	15.8
121.10159	17.8
123.04454	15.5
123.08069	26.9
125.06007	8.1
125.09664	15.0
127.03927	59.2
128.06161	4.8
129.06985	8.4
131.04965	5.3
131.08559	16.6
133.06458	8.4
133.10126	13.7
135.04457	5.2
135.08064	15.3
135.11685	11.6
137.02426	3.2
137.05975	13.0
137.09593	3.7
139.03905	11.2
141.07008	7.4
141.09152	7.2
143.08530	8.2
145.04926	8.8
145.06517	5.6
145.10146	18.1
147.04411	6.7
147.08026	8.3
147.11687	9.3
149.05981	7.8
149.09642	6.2
151.03870	6.9
151.07556	11.1
151.11143	3.1
153.08998	3.8
155.08580	3.6
157.06487	4.5
157.10153	8.7
159.02885	22.5
159.08113	5.3
159.11690	9.7
161.09622	7.8
163.07507	3.9
163.11179	18.9
165.09143	6.8
167.08536	3.6
169.04974	8.8
169.10159	5.3
171.02892	17.1
171.08177	4.8
171.11652	4.9
173.09639	4.4
173.13191	3.9
175.03905	3.8
175.11215	8.0
177.05351	3.2
177.09166	4.4
177.12726	3.5
181.12230	5.1
182.12538	4.1
185.13246	3.2
187.06013	8.8
187.11206	10.6
189.03951	16.4
189.12665	4.4
191.10640	7.0
195.06592	4.5
195.11674	4.0
199.11224	5.6
201.03864	4.2
205.04950	10.7
205.12251	10.3
213.03957	3.8
223.05972	7.3
223.13336	6.0
227.12704	4.3
231.04959	7.1
241.07083	6.3
243.13925	3.2
255.04964	5.3
259.13483	4.1
273.06042	6.1
287.05521	29.6
296.19458	2.8
303.04980	7.6
309.05988	4.0
311.19992	9.5
321.18845	3.3
327.07111	20.1
329.21027	14.9
339.19537	22.3
357.20654	43.7
375.21597	8.3
413.07132	4.2
413.31088	4.0
431.07980	6.3
431.24030	35.3
431.28372	2.3
449.25266	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04643	2.2
55.05499	2.6
57.03424	10.1
65.12333	2.4
69.03434	3.7
71.04995	67.2
71.08167	4.6
73.02913	4.6
74.06054	2.4
75.04462	6.4
81.03391	3.5
83.04977	7.5
85.02906	100.0
95.04986	3.4
97.02880	8.0
101.54784	2.3
105.06981	2.9
108.74146	2.5
111.04436	3.1
111.06785	2.3
122.02696	2.4
127.03925	3.6
129.05482	31.2
145.04948	4.2
147.06503	19.5
160.60709	2.4
164.09254	2.8
182.97928	2.3
203.63684	2.8
287.05530	16.1
333.95367	2.7
449.08957	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3833
Annotation	13'-OH-alpha-tocopherol
Peak:m/z	Relative Intensity
50.20490	3.1
55.05515	47.5
57.07079	74.8
64.31823	3.7
67.05504	5.9
69.07072	100.0
69.07453	4.9
69.87014	16.0
70.17468	3.2
71.08635	47.4
81.07060	19.7
83.08623	60.8
84.30308	3.1
85.10188	35.9
90.18584	3.8
93.07063	10.2
95.08605	13.2
97.10182	57.7
98.20874	4.3
99.11706	4.2
107.08586	8.0
109.10159	5.6
111.11726	39.0
119.08617	3.8
120.91579	3.5
121.06516	4.9
123.11678	3.5
125.13267	12.7
135.08081	14.3
137.09636	7.5
139.07561	27.1
146.58868	3.5
149.02361	75.7
149.09601	9.3
151.07530	19.8
153.09116	13.8
159.11667	3.7
163.07549	4.7
165.09132	66.4
167.03436	7.4
167.07014	29.0
169.08578	6.9
172.98734	2.9
177.09160	9.8
179.10562	3.4
181.08604	31.9
191.10701	8.9
205.12321	7.3
276.31238	4.5
429.37708	16.8
447.38678	59.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80682	0.8
53.03941	2.7
55.01881	7.5
57.03434	2.8
61.02940	1.0
62.88590	0.8
65.58358	0.8
69.03441	11.6
71.04996	4.1
71.28894	1.5
71.29253	0.9
73.02924	2.9
78.03451	7.9
80.05038	2.3
81.02968	1.6
81.03422	15.9
85.02908	9.7
87.09136	0.8
90.42115	0.9
91.03122	0.8
91.68308	0.8
96.04497	3.5
97.02895	13.6
99.04462	23.7
102.94750	0.8
106.02924	36.9
109.02896	19.0
119.04955	2.7
124.03963	100.0
127.03928	46.5
145.04964	4.4
147.04416	9.7
149.02420	0.9
163.03880	2.6
170.92798	0.8
178.04962	1.4
191.39230	0.8
196.06087	1.3
213.09187	1.3
237.02824	0.9
250.07133	25.8
259.11890	2.4
268.08188	30.2
279.95139	0.8
286.09219	40.6
430.13522	2.0
448.13898	1.5
448.19452	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3472
Annotation	Gibberoketosterol
Peak:m/z	Relative Intensity
53.03928	1.4
54.45504	0.7
55.05517	23.1
57.07084	9.3
65.03928	0.8
67.01855	1.2
67.05511	10.0
69.07076	40.1
70.12696	1.7
70.13102	2.1
71.08650	4.4
78.52902	0.7
79.05484	2.7
81.07063	18.9
83.01337	2.2
83.08138	1.3
83.08627	21.0
85.10178	2.0
88.79269	0.8
91.05467	2.8
93.07050	7.2
95.08614	17.9
97.10181	12.6
97.57944	0.8
98.21407	1.3
101.61671	0.7
105.07022	2.6
107.08600	3.0
109.06538	0.8
109.10166	11.1
111.11715	5.2
117.07015	0.7
119.08577	1.4
121.06502	2.4
121.10132	1.2
123.08099	1.3
123.11713	6.1
125.13238	1.4
131.08566	1.1
133.06496	1.4
133.10144	1.5
135.08086	1.7
137.06023	1.5
137.13258	3.4
139.07535	4.0
142.23793	0.7
143.08568	0.8
145.10156	1.6
147.04411	1.5
149.02382	1.3
149.06046	4.7
149.09596	1.2
149.13181	1.1
151.07536	5.6
151.14821	1.7
159.08112	1.8
161.09589	1.6
165.05414	1.0
165.09134	5.2
167.07054	100.0
173.09573	1.1
175.07562	2.5
175.11214	1.4
177.09169	3.7
179.07010	2.8
179.10686	1.3
189.09090	2.2
191.06973	1.2
191.10680	1.7
193.08665	1.6
201.09161	6.6
203.10674	2.2
205.08586	2.2
205.12320	1.4
207.10170	4.1
215.10759	2.0
217.12326	1.3
219.10316	1.1
221.11818	2.0
233.11842	1.3
257.56354	0.9
277.17969	1.1
291.19629	1.2
333.24463	0.9
347.25885	1.1
411.32462	2.2
429.33716	17.0
447.34750	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	447.3471
Annotation	Gibberoketosterol
Peak:m/z	Relative Intensity
55.05518	21.5
57.07080	8.2
65.27825	0.8
67.01871	1.4
67.05509	7.6
69.07075	35.9
70.70145	1.7
70.70500	2.5
71.08620	4.0
72.43185	0.9
73.82793	0.9
79.05476	2.3
79.46519	0.9
81.07062	16.9
83.01334	2.3
83.08627	20.9
85.10174	1.6
91.05469	2.2
93.07060	5.9
95.08617	17.1
97.10198	11.2
107.08597	1.4
109.10165	8.2
111.11736	6.2
121.06503	3.2
121.10151	1.2
123.08089	1.5
123.11709	4.9
125.13247	1.5
131.08571	1.2
137.13234	3.4
139.07545	3.4
149.05994	4.9
151.07584	4.8
156.08762	0.9
159.08038	1.8
159.11707	1.4
161.05928	1.2
161.09653	1.6
165.09142	4.9
167.07057	100.0
173.09650	1.4
175.07555	1.8
177.09122	3.8
179.07051	4.0
179.10719	1.4
181.08647	1.6
189.09103	3.4
191.07039	1.4
191.10692	1.5
193.08615	2.5
201.09090	4.7
203.10645	3.9
205.08572	2.7
205.12228	2.1
207.10176	3.6
215.10625	1.1
221.11653	2.7
233.11662	1.6
291.19690	2.5
305.21133	1.0
311.85062	0.9
333.24149	2.0
373.27386	1.1
411.32608	1.5
429.33655	19.3
447.34741	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	447.347
Annotation	Gibberoketosterol
Peak:m/z	Relative Intensity
55.05513	17.1
57.07079	7.5
58.94864	1.0
61.57245	0.9
67.05501	11.5
69.07069	33.3
69.99198	4.0
71.08637	5.2
79.05486	3.7
81.07057	28.1
83.01341	11.2
83.04981	1.2
83.08617	12.6
85.02901	5.0
85.10196	1.2
91.05466	2.5
93.07048	5.8
93.80299	1.0
95.08612	26.3
97.06506	2.1
97.10184	9.7
105.07018	5.2
107.08601	7.8
109.06512	3.7
109.10159	19.7
111.08093	1.4
111.11716	3.6
119.08585	3.9
121.06495	2.1
121.10136	3.7
123.08097	4.6
123.11703	10.4
125.05969	4.5
125.09617	1.5
131.08586	2.6
133.06624	0.9
133.10130	3.2
135.08066	4.1
135.11678	4.3
137.05977	3.6
137.09679	2.2
137.13266	4.8
139.07536	11.5
143.08566	1.1
145.10126	2.3
147.08017	1.2
147.11752	1.9
149.02405	1.9
149.09619	3.0
149.13254	2.7
151.07524	4.7
151.11115	2.6
151.14908	1.5
153.05411	1.1
153.09076	2.8
159.11728	3.5
161.09593	1.9
161.13226	1.7
163.07565	2.3
163.11168	3.0
163.14842	1.2
165.09125	8.0
165.12822	2.0
165.16219	1.2
167.07019	8.0
167.10667	2.0
175.11169	2.3
177.09171	2.5
177.12733	1.6
177.16472	1.1
179.10695	4.2
179.14301	1.2
181.08615	11.1
181.12248	1.7
187.11133	1.0
187.14824	1.0
189.09097	1.2
189.12804	1.9
191.10623	3.1
191.14369	1.3
193.08624	1.8
193.12257	4.9
195.10144	2.2
195.13840	1.2
205.12276	3.8
207.10136	7.3
207.13838	2.7
209.11714	4.8
217.12267	2.2
219.13725	1.6
221.11729	4.1
221.15320	1.4
223.13318	1.7
233.11690	3.5
233.15303	1.1
235.13332	3.2
243.68787	0.9
247.16864	1.0
249.25903	2.0
275.20282	1.1
277.18466	1.3
291.19565	2.1
303.19617	1.3
368.08466	0.9
401.34027	8.3
411.32425	3.0
429.27731	1.1
429.33527	21.8
447.34680	100.0
448.34918	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3471
Annotation	Di-n-decyl phthalate
Peak:m/z	Relative Intensity
53.66053	0.4
55.05522	4.9
57.07083	2.4
67.01864	1.1
67.05506	2.4
69.06722	0.6
69.07070	8.2
69.34380	3.4
71.08620	1.1
72.77347	0.4
79.05482	1.3
81.07063	7.6
83.01340	1.2
83.04962	0.4
83.08618	3.5
85.02921	0.7
85.10148	0.4
91.05480	1.9
93.07045	5.9
95.04976	0.6
95.08612	5.0
95.40899	0.4
97.10151	1.9
98.20781	0.8
100.11803	0.4
103.05439	0.4
105.07039	1.6
106.28434	0.4
107.08581	1.0
109.10135	2.9
109.25574	0.4
111.08031	0.7
111.11724	1.3
116.97565	0.4
117.07034	0.4
119.08597	1.2
121.06521	2.6
123.08082	0.6
123.11690	2.0
125.05987	0.5
125.13326	0.5
128.06223	0.7
131.08504	0.5
133.06528	0.7
133.10118	1.6
137.13210	0.5
139.07549	3.7
142.07776	0.6
143.08575	1.4
146.07243	0.7
147.08061	1.8
147.11687	0.5
149.06009	3.9
149.13248	0.7
151.07542	5.4
151.14861	0.4
153.05553	1.1
157.10120	0.6
159.08076	0.5
159.11693	0.5
161.06004	3.2
161.07172	0.5
161.09666	4.2
165.09106	0.6
167.07051	100.0
168.07384	1.4
171.08220	0.5
174.06799	1.1
175.07571	5.1
175.11176	0.9
179.07068	2.0
181.08650	1.4
185.09630	0.6
187.11256	0.5
188.08244	0.7
189.09120	11.7
191.07056	2.2
191.10735	1.0
193.08609	1.6
201.09105	1.2
203.10660	2.0
205.08603	3.7
205.12299	0.5
207.10190	9.4
215.10703	0.9
217.12196	0.5
233.11815	0.6
242.45926	0.4
366.34335	0.5
411.32541	0.5
429.33679	5.4
444.88379	0.4
447.34717	64.5
448.35034	1.8
459.11407	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3471
Annotation	Gibberoketosterol
Peak:m/z	Relative Intensity
51.85068	0.9
52.43640	0.9
53.03933	0.9
55.05270	1.1
55.05516	21.0
57.07082	8.1
63.01250	0.7
67.05511	9.4
69.07073	41.3
70.16408	2.6
71.08628	3.8
79.05492	3.2
81.07064	20.5
83.01343	1.8
83.08137	1.3
83.08624	19.9
85.10193	1.4
91.05475	1.9
93.07047	6.7
95.04946	1.0
95.08617	16.3
97.10188	9.8
102.07482	0.8
105.06989	1.0
107.08558	1.2
109.10165	8.9
111.11727	4.2
121.06509	1.2
123.11710	5.0
125.13280	1.8
133.10225	1.0
137.06001	0.9
137.13254	2.8
139.07555	3.8
145.10080	1.1
147.08121	0.9
149.06018	4.6
149.46390	0.8
151.07544	6.6
151.14891	1.0
151.32091	0.9
159.08066	1.1
161.09613	3.0
165.09195	4.0
167.07056	100.0
168.07390	0.9
173.09663	1.4
175.07571	3.1
177.09140	3.6
179.07048	3.7
181.73225	0.9
185.09676	1.1
185.82689	0.9
187.11179	0.9
189.09135	2.6
191.07053	1.6
191.10611	0.9
193.08644	2.6
193.19678	0.9
201.09145	4.9
203.10748	2.7
205.08611	3.6
205.12202	2.0
207.10110	4.2
215.10628	1.4
217.12256	0.9
221.11732	2.0
229.12140	1.0
233.11684	1.5
235.13376	1.4
263.27551	1.5
291.19510	1.2
305.21048	1.7
333.24387	0.9
411.32858	2.5
429.33652	17.9
447.34729	29.4
448.35046	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16550	0.3
53.03944	0.7
55.01858	0.4
55.05507	2.0
65.03930	0.3
67.05177	0.3
67.05509	4.7
69.03410	0.7
69.07069	2.1
69.46040	0.5
69.46447	1.6
71.04984	0.5
71.08636	0.4
73.36758	0.2
79.05494	2.5
81.03438	0.7
81.07065	7.5
83.04971	1.2
83.08620	1.0
85.02905	0.6
85.06576	0.7
91.05458	1.4
93.07056	3.1
95.04958	0.7
95.08614	7.6
95.22733	0.3
97.02933	0.3
97.06523	0.6
97.10154	1.0
99.08117	0.7
101.06026	0.7
105.07028	1.8
107.04945	0.5
107.08614	2.2
109.06530	1.2
109.10172	6.8
111.08073	0.3
111.11688	0.3
117.07013	0.6
119.08598	3.7
121.06503	0.6
121.10178	1.5
122.07307	1.7
123.08067	1.2
123.11722	1.4
125.05990	0.4
125.09664	0.9
127.03954	0.4
129.05460	0.7
131.08568	0.7
131.46635	0.3
133.10139	0.9
135.08026	0.8
135.11703	0.9
137.05969	1.4
137.09624	11.7
137.13235	0.4
138.09906	0.3
143.08556	0.5
145.10120	0.8
147.04402	0.4
147.08081	0.4
147.11676	0.8
149.02354	0.7
149.09645	2.4
149.13271	0.8
151.07542	1.5
151.14854	0.4
153.09067	0.3
159.11746	0.7
161.09610	0.5
161.13203	0.4
163.03908	0.3
163.07501	0.4
163.11102	0.4
165.09128	100.0
166.09500	1.5
171.11716	0.4
173.09628	0.4
175.07590	0.4
175.14859	0.4
177.09129	2.3
177.12839	0.4
177.16505	0.3
177.57544	0.3
179.10709	0.7
181.15794	0.4
185.13301	0.3
187.11162	0.3
189.12766	0.7
191.10690	1.3
203.10760	0.4
205.12257	4.0
295.22736	0.6
401.30573	0.7
411.29205	0.6
415.10806	0.4
429.29944	1.0
447.21964	0.9
447.31595	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93560	0.6
53.03941	1.4
55.01875	1.2
55.05518	6.4
57.03429	1.1
57.07069	1.8
67.05511	11.9
69.03455	3.6
69.03753	0.8
69.07089	4.2
70.06580	0.7
71.04996	1.3
71.08633	1.6
79.05487	4.7
81.03435	1.2
81.07065	19.6
82.06556	0.8
83.04983	1.6
83.08624	3.6
85.02881	1.0
85.06548	2.1
86.09711	5.9
87.04467	1.0
88.11266	1.0
91.05479	4.7
93.07057	6.5
95.04986	1.0
95.08044	1.2
95.08621	18.6
97.02917	0.9
97.06532	1.3
97.10164	2.6
99.04447	0.9
99.08104	1.7
100.07638	1.4
100.11264	6.9
101.06042	1.1
105.07037	5.6
107.04945	2.3
107.08592	4.8
109.06567	3.5
109.10169	11.0
111.04417	1.8
111.08085	0.7
111.11701	1.3
111.69981	0.6
113.09603	1.4
117.07028	1.4
119.04928	1.7
119.08599	6.2
121.06518	2.2
121.10136	4.2
122.07301	2.4
123.08082	8.1
123.11719	2.7
125.06009	1.0
125.97105	0.7
127.03943	1.6
128.07088	0.9
129.05484	1.9
130.05531	0.7
131.08582	2.2
133.10144	3.0
135.08075	5.6
135.11681	2.3
136.07539	1.0
137.06010	9.7
137.09627	12.2
137.13252	1.6
139.07605	1.1
141.09059	0.7
141.11511	0.6
143.08556	0.9
143.10730	0.7
143.11745	0.9
145.10139	2.9
147.04427	3.2
147.08038	1.2
147.11714	1.5
149.02341	0.8
149.09631	4.2
149.13281	1.5
151.07556	63.1
151.14752	1.2
153.05405	0.9
157.10126	1.7
159.08028	1.2
159.11731	1.9
161.09564	1.7
161.13373	0.9
163.07553	11.1
163.11168	1.5
163.14812	0.8
165.09131	100.0
166.09433	1.9
167.55717	0.7
169.10028	0.9
170.15434	2.4
171.11545	1.5
173.09682	1.5
173.13280	1.0
175.11189	1.5
175.14816	0.9
176.08321	0.9
177.09122	12.7
177.12740	0.8
179.10672	1.3
182.15392	3.8
185.09575	0.8
187.11249	1.1
187.14813	0.8
189.12746	1.2
191.10690	15.0
198.14960	1.5
199.14946	0.9
205.12289	4.9
209.16602	1.5
210.14957	3.8
233.18823	0.9
257.19257	0.9
287.16559	0.8
288.41306	0.7
309.24329	1.5
331.74753	1.0
343.30627	0.8
343.54773	0.8
375.29755	1.1
383.29626	1.6
401.30411	3.2
411.29263	1.3
429.30072	1.3
447.25134	1.3
447.30872	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	447.2508
Annotation	Artoindonesianin X
Peak:m/z	Relative Intensity
53.03934	2.7
55.01631	0.9
55.01877	14.2
55.05516	38.4
57.03441	50.6
57.07075	11.5
67.05508	12.2
69.07076	36.3
69.79759	1.7
69.80117	4.6
71.08635	7.4
73.02937	2.2
79.05503	8.9
81.07066	13.2
83.04963	1.4
83.08624	33.8
85.10175	3.8
85.85289	0.9
89.53864	1.0
91.05492	1.9
93.07052	8.0
95.04976	1.1
95.08607	9.7
97.06536	4.2
97.10181	20.1
98.20817	1.1
98.98475	70.3
99.08111	1.1
107.08596	4.2
109.10182	2.1
111.08101	1.3
111.11727	6.4
116.99498	1.2
121.10137	7.9
123.11684	2.0
125.00021	1.2
125.13223	0.9
129.05437	2.3
135.11699	4.8
136.99997	74.4
149.13231	2.3
155.01048	56.0
178.02687	1.1
193.02605	12.9
211.03685	10.5
222.55028	0.9
237.22153	15.2
272.54977	0.8
293.24670	1.4
311.25815	58.0
312.26053	1.5
415.23047	1.0
447.25089	100.0
447.42508	2.6
448.25507	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	447.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.1
53.00314	0.1
53.03941	0.2
55.01881	0.1
55.05515	2.1
57.03443	1.3
57.07071	0.4
57.21733	0.1
63.02367	0.1
65.03932	0.7
67.05508	1.3
67.77955	0.1
69.06732	0.1
69.07076	2.2
70.07019	0.4
71.05013	0.1
71.08633	0.2
73.06574	0.1
74.75419	0.1
79.05496	0.7
81.07056	1.2
83.04980	0.1
83.08614	1.1
85.10185	0.1
91.05486	7.4
93.07066	0.8
95.04980	0.1
95.08604	1.0
97.06538	0.4
97.10164	0.6
105.07069	0.2
107.04977	0.1
107.08604	0.6
109.10171	0.6
111.08089	0.2
111.11768	0.1
119.04951	19.8
120.05292	0.2
121.10154	0.6
123.04497	0.2
123.11749	0.1
125.09663	0.1
126.28733	0.1
127.41554	0.1
135.11723	0.4
139.11185	0.1
142.20851	0.1
147.04419	100.0
148.04735	1.0
149.13155	0.1
165.05495	2.6
191.17998	0.2
209.18982	0.2
221.08156	0.3
283.22797	0.1
327.95599	0.1
351.12402	0.1
447.27423	3.0
448.27695	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	447.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
55.01855	1.5
55.05512	11.1
57.03422	2.7
65.03928	1.1
67.05511	17.3
69.03429	1.6
69.07074	4.4
71.01318	1.2
71.05003	1.2
71.57275	0.9
79.05499	15.1
81.03419	19.7
81.07062	13.1
83.04997	4.4
83.08622	6.1
85.06537	1.4
91.05477	13.4
93.07050	14.1
94.06527	0.8
95.04973	10.0
95.08604	6.5
97.02867	1.0
97.06517	3.4
97.10143	4.6
105.07030	7.9
106.06548	0.9
107.04963	4.5
107.08598	10.2
109.06512	3.3
109.10155	3.7
111.08087	2.4
115.05447	1.2
117.07001	2.9
119.08591	7.1
121.06528	1.8
121.10141	4.8
123.08028	2.0
123.11686	1.1
125.06004	1.2
125.09651	1.9
129.07018	3.7
129.98087	0.6
131.08554	2.9
133.06488	1.8
133.10109	3.8
135.04373	0.7
135.08076	1.2
135.11691	10.7
137.05945	1.9
137.09596	0.9
143.08536	2.0
145.06477	1.4
145.10100	3.4
147.08020	1.6
147.11696	3.9
149.02339	2.5
149.09613	1.8
149.13203	1.1
155.08534	0.9
157.10201	4.1
159.11688	1.2
161.09596	1.0
161.13307	0.8
163.11166	2.6
165.09154	1.6
165.12621	0.6
171.11676	1.9
173.13335	1.1
175.11192	3.3
181.12289	1.2
183.11703	0.9
185.13243	1.3
189.11238	1.2
193.12270	8.7
198.05594	1.0
212.84221	0.6
220.07562	0.7
226.04979	1.6
228.08109	4.2
229.08824	2.0
230.09613	1.5
240.08078	1.6
241.08829	2.5
242.07318	1.2
242.09537	1.6
243.08319	1.0
244.07707	2.2
246.09039	1.1
247.07779	0.9
249.14796	1.2
255.09224	3.5
256.07535	5.6
257.08295	1.9
258.09140	2.4
260.07104	1.0
261.08966	0.8
262.08670	3.0
270.09091	0.8
271.08481	1.1
272.09689	0.8
274.08664	0.9
276.10159	2.3
283.08667	49.1
284.06885	1.8
284.09561	6.8
285.07626	7.7
285.10336	3.0
286.08566	4.7
288.10168	1.1
297.10260	2.0
299.08200	14.3
300.08936	4.8
301.06699	5.8
301.10324	6.4
302.07996	2.3
302.10852	1.5
303.11234	1.5
304.09552	1.0
305.09222	2.0
311.08078	1.3
313.09692	6.2
315.11292	1.2
318.09985	3.1
319.10748	8.5
323.11649	1.0
327.07776	1.3
328.05960	1.1
329.09140	1.1
329.21060	1.2
331.20471	0.7
337.21597	1.7
345.08704	1.6
355.22745	2.7
367.18143	0.9
373.23703	1.5
385.19022	4.5
386.17548	1.2
401.18576	16.0
402.18738	1.0
403.20212	20.6
403.24954	1.5
429.17819	0.8
429.26349	2.6
447.19058	100.0
447.27209	18.7
448.19424	2.9
448.27725	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57603	0.5
53.03933	1.3
55.01866	0.9
55.05307	0.4
55.05519	5.8
57.03420	1.6
57.07043	0.6
63.74968	0.5
65.03918	1.0
67.05173	0.8
67.05511	10.8
69.07066	3.5
69.23444	5.4
71.04996	1.1
79.05499	8.6
81.02981	0.7
81.03431	12.0
81.07061	7.6
83.04981	1.9
83.08629	3.4
85.02930	0.5
85.06505	0.6
91.05472	7.0
93.06475	0.6
93.07051	8.4
95.04974	5.4
95.08602	4.3
97.06514	1.8
97.10172	2.4
99.08106	0.6
105.07031	4.8
106.06554	0.8
107.04965	1.8
107.08604	5.3
109.06532	1.3
109.10152	2.1
111.08081	1.4
117.07001	1.4
119.04961	0.6
119.08563	4.2
121.06538	1.3
121.10144	2.5
123.08078	0.9
123.11692	0.6
125.09661	1.1
128.06270	0.8
129.07021	2.5
131.08571	2.4
133.06496	1.4
133.10124	2.1
135.08064	1.5
135.11694	6.0
137.05992	1.6
137.09601	0.9
137.13301	0.6
143.08534	0.6
145.06480	1.4
145.10141	1.2
147.08003	1.2
147.11707	1.9
149.02341	2.0
149.09636	1.8
149.13263	0.7
157.10175	2.5
159.08148	0.5
159.11694	1.4
161.09598	0.7
163.11172	1.5
171.11630	0.7
175.11212	1.7
181.12289	1.1
182.06065	0.5
189.11206	0.8
191.10649	0.5
193.12219	4.5
195.12914	0.5
198.05579	0.8
203.14348	0.6
215.08574	1.1
226.05060	1.6
228.08073	4.6
229.06685	0.6
229.08893	2.0
230.09666	1.1
231.08160	1.0
234.06786	0.9
240.08171	1.3
241.08910	2.7
242.07336	1.3
242.09633	1.7
243.08067	1.1
244.07628	1.8
245.06061	0.6
245.08362	0.8
255.09180	3.3
256.07568	5.6
257.08325	1.9
258.09235	3.9
261.09174	0.9
262.08514	2.7
266.08551	0.7
268.07608	0.9
270.09131	1.6
271.08664	2.8
272.06937	1.0
273.07712	0.7
273.10339	0.7
274.08572	0.6
275.09430	0.7
276.10172	1.5
281.07098	0.7
283.08673	46.6
284.06909	1.0
284.09476	5.6
285.07620	7.3
285.10706	3.1
286.08560	3.8
290.08185	0.7
297.10312	1.4
298.11124	0.9
299.08185	13.4
299.11551	1.0
300.09079	3.1
301.07294	5.9
301.10342	6.8
302.08017	1.7
302.10709	2.0
303.11481	1.2
305.09265	1.9
313.09769	5.9
314.10742	0.7
315.11325	1.3
318.10028	3.1
319.10828	7.8
327.07761	0.9
328.06143	1.5
329.09262	0.9
329.21039	1.0
345.08878	0.8
355.22552	1.4
361.02786	0.6
367.18069	1.1
385.19272	3.8
386.17496	1.5
401.18582	15.3
401.30319	0.6
403.20215	20.0
429.25909	0.9
429.30801	0.9
447.19202	100.0
447.27252	8.4
448.19528	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	447.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67373	0.5
53.03934	0.8
55.01878	1.5
55.05516	7.0
57.03444	1.1
57.07074	1.6
67.05222	0.7
67.05513	7.9
68.99789	4.4
69.03432	1.0
69.07069	7.5
70.76360	1.0
70.76734	1.2
71.04984	1.3
71.08624	0.7
79.05495	6.0
81.03418	3.4
81.07066	11.3
83.04979	1.5
83.08627	9.7
85.06568	1.3
91.05487	3.9
93.07056	8.8
95.04973	2.6
95.08623	6.1
97.02893	0.7
97.06532	3.5
97.10172	3.3
99.04458	0.8
105.07055	3.0
107.04971	0.9
107.08606	7.6
109.02916	1.6
109.06561	1.0
109.10164	3.3
111.00809	8.6
111.04434	1.0
111.08113	2.8
114.16632	0.6
117.07029	1.4
119.08599	1.9
121.06541	1.1
121.10149	3.3
123.08128	0.8
124.64260	0.6
125.05991	1.5
125.09634	1.3
127.03928	100.0
129.06979	1.0
131.08568	2.1
133.10136	2.0
135.08081	1.3
135.11713	2.2
139.03903	4.4
139.07579	0.8
145.06482	0.8
145.10124	1.3
147.11700	1.2
149.02359	1.8
149.06088	0.7
149.09532	0.9
149.13261	6.6
153.01852	1.7
157.10158	1.4
159.11722	1.6
161.13257	0.6
163.11200	0.9
163.14851	0.8
167.14354	1.6
169.05038	0.8
169.06618	0.6
173.13306	0.8
177.12776	1.3
187.11238	0.7
191.14322	1.3
193.12260	1.3
195.13770	1.2
201.12999	0.8
209.15396	1.8
213.14891	0.8
251.16423	4.7
275.16595	0.7
279.15945	15.7
293.17575	6.8
303.15854	3.1
321.16980	51.8
322.17184	0.7
355.22647	1.0
405.19348	0.8
429.26022	0.8
447.20111	5.3
447.27307	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.01878	21.8
55.05516	42.7
57.03441	56.9
57.06865	1.5
57.07086	17.2
59.41524	1.5
61.02940	3.8
63.94184	1.6
67.05506	22.2
69.03408	1.8
69.06719	3.0
69.07074	48.0
71.08630	8.6
73.02919	4.3
79.05483	11.9
81.03419	5.1
81.07049	18.8
83.04981	2.9
83.08627	36.2
85.02919	4.7
85.10181	3.4
91.03977	1.8
91.05479	8.0
93.07040	14.1
95.04949	4.5
95.08591	13.8
97.02908	4.8
97.06533	7.6
97.10168	22.1
98.98472	85.3
105.07056	5.3
107.04961	2.4
107.08609	6.4
109.10185	5.2
111.11729	6.8
116.99564	3.1
119.08580	3.8
121.10140	11.2
123.11694	3.0
131.08589	3.8
133.10147	2.0
135.11713	4.2
136.99998	81.0
137.13287	2.4
140.01091	2.7
145.10126	1.8
147.04456	2.6
147.11703	2.1
149.02362	3.9
149.13316	2.8
155.01051	63.0
165.09151	2.4
166.70384	1.8
167.07137	3.7
186.02589	1.7
193.02660	15.2
193.12254	6.1
211.03688	10.6
211.13350	7.2
219.21143	2.0
230.31903	1.8
237.22141	16.9
260.84174	1.6
285.16803	3.3
293.24606	2.4
295.20172	1.8
311.25812	62.6
447.25116	100.0
448.25357	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04554	0.5
54.10138	0.5
55.01834	0.6
55.05488	0.7
59.57396	0.5
61.02894	2.0
67.05481	1.0
68.99754	1.6
69.03410	0.8
71.56116	0.8
71.56501	0.6
77.90230	0.5
81.03377	1.1
81.07053	1.0
81.22035	0.5
85.02848	0.9
95.08595	1.2
97.06499	0.6
105.06986	0.5
107.08636	0.6
109.02839	1.2
109.10125	1.2
111.00790	1.3
115.92936	0.5
119.86576	0.5
127.03909	0.8
128.06187	0.5
131.04990	0.5
135.04437	0.6
147.04440	0.8
149.02307	1.1
153.01836	11.7
159.29733	0.6
161.02234	0.8
161.05959	0.6
163.03851	1.1
171.04318	0.9
175.03897	2.2
185.06026	1.2
187.03937	1.6
189.01851	1.6
199.03792	1.2
201.05421	1.0
203.03419	5.6
207.02846	0.8
211.03870	0.7
213.05444	2.3
217.04967	0.7
221.05936	0.8
224.55882	0.5
225.05522	1.1
227.03444	0.7
229.04994	2.7
231.06451	0.7
237.05557	0.6
239.03366	1.1
241.04926	1.7
243.02934	3.2
253.05013	1.8
255.02832	3.4
257.04446	2.1
258.05289	1.9
259.06085	1.3
267.06467	1.2
268.03668	2.2
269.04437	4.3
273.03949	3.6
277.05096	0.6
281.04227	1.3
283.02316	2.4
283.05365	0.6
285.04044	4.7
286.04684	4.8
287.05215	0.7
291.06622	0.8
295.06085	3.6
296.03229	4.8
297.03958	12.7
298.04633	1.4
301.03427	4.6
305.04291	0.8
311.01910	1.2
311.05450	1.2
313.03439	24.8
314.04193	7.0
315.04904	2.1
322.04691	0.9
323.05566	2.2
325.03488	2.0
327.04956	0.9
329.02942	10.1
333.04001	0.8
339.05026	1.0
341.03134	0.9
341.06668	7.0
343.04504	100.0
344.04840	1.0
347.05435	3.3
351.04947	4.4
353.03033	2.8
355.04199	0.7
365.06519	1.1
367.04507	1.1
369.06067	7.6
385.05569	3.6
393.06085	33.9
394.06366	0.8
411.07138	16.5
429.08105	1.6
447.09241	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	447.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06518	2.3
55.01864	2.5
55.05508	8.1
57.03437	5.7
59.05000	7.3
63.47644	2.1
67.05511	6.8
67.76736	1.9
69.03436	7.7
69.07083	4.8
71.01354	2.4
71.05004	11.5
71.05313	2.2
71.56828	3.1
75.04489	2.8
75.75623	2.2
75.85928	2.0
79.05499	7.2
81.03407	4.8
81.07066	13.1
82.02630	2.1
83.05007	9.9
83.08651	2.3
85.02910	50.8
85.06557	10.8
86.09717	2.3
87.04464	6.0
91.05470	5.1
93.07048	11.6
95.08614	13.7
97.02912	3.5
97.06544	3.6
97.10189	4.8
99.04457	6.4
101.06035	5.2
105.07047	6.5
107.08607	10.9
109.02879	3.7
109.06509	3.5
109.10159	5.8
111.04453	3.7
111.08157	2.3
113.05991	2.5
117.07032	2.7
119.08601	7.2
121.02882	3.7
121.06502	1.9
121.10182	4.6
123.11763	3.6
127.03958	3.4
131.04904	2.9
133.10149	6.3
135.08058	2.9
135.11739	4.0
137.05971	5.2
137.09698	2.2
143.07004	2.3
145.10126	3.8
147.04433	4.1
147.11639	4.8
149.02391	3.8
149.13239	2.2
153.01875	6.3
159.11746	3.3
161.08142	5.7
161.13342	2.5
163.03845	3.4
163.07553	3.7
165.09106	5.3
175.14786	2.1
177.09126	6.1
187.10985	2.6
191.10689	3.6
201.05573	2.2
249.42941	2.0
255.02718	2.3
258.05356	2.5
286.04633	2.6
287.05521	100.0
296.03506	2.5
297.04010	5.0
313.03491	6.0
328.38196	2.0
329.03052	2.8
329.06604	3.2
337.14023	2.6
343.04550	35.5
369.06000	3.5
393.06091	9.6
411.07178	8.0
447.08899	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	446.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
53.58062	0.5
55.01870	1.9
57.03426	2.2
58.96526	0.5
60.04506	0.8
61.02926	0.6
65.03942	0.9
69.03444	3.1
69.63961	3.4
71.05002	9.9
73.02914	1.2
75.04509	0.8
77.03922	0.7
79.05544	0.6
80.76724	0.6
81.03420	4.6
83.04993	0.7
85.02914	21.1
87.00834	4.3
87.04449	0.6
87.51665	0.5
95.04975	0.6
97.02893	5.0
99.04454	2.7
105.01897	2.6
107.04912	0.5
107.08585	1.0
108.04488	1.7
108.08877	0.6
109.02889	4.4
117.01858	0.8
121.02870	2.4
121.06506	2.4
126.05507	1.0
127.03925	7.6
129.01826	0.9
129.05481	5.3
133.02856	2.4
135.04433	1.9
145.04945	2.5
147.06528	2.0
149.02354	100.0
150.02672	1.1
159.02872	1.5
163.03920	64.2
164.04199	0.7
164.09195	0.7
167.03413	1.2
173.40253	0.5
181.04976	37.7
182.05263	0.8
197.11777	1.7
198.12045	2.3
230.06641	0.6
231.05049	1.1
231.13913	0.7
248.07675	0.7
303.44788	0.6
360.92621	0.5
472.86734	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.13
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67554	1.7
53.03948	9.2
55.01875	8.1
57.03441	4.8
61.02929	5.9
68.99783	2.3
69.03432	33.0
69.07095	1.6
70.06587	2.7
71.04987	6.9
71.29830	2.3
73.02918	8.9
73.04752	3.0
81.03420	31.0
83.08643	2.0
84.04512	3.4
85.02911	100.0
86.09720	2.9
87.00838	34.3
87.04480	2.3
91.03960	3.3
91.05820	9.5
97.02900	46.8
99.04462	20.5
105.01870	57.0
107.05001	1.7
109.02888	32.8
110.58874	1.6
111.04451	5.8
117.01842	3.7
120.68814	1.5
127.03925	80.0
129.01846	3.7
135.04424	15.3
137.08363	4.7
138.08730	2.9
139.03958	8.2
145.04973	42.5
147.02847	3.1
147.04424	5.0
147.07994	2.2
149.06033	2.2
155.67969	1.6
159.02921	20.3
163.03915	9.8
167.05540	4.2
168.05533	1.9
170.06363	13.5
171.06717	9.6
177.05515	5.8
181.04994	21.0
189.03958	4.5
205.04982	3.0
213.04016	2.4
221.08162	2.7
223.06107	3.6
224.07391	2.6
231.05022	24.6
231.13835	4.5
243.06566	2.9
247.06384	2.0
249.06056	3.8
249.14836	2.5
267.15924	16.1
271.05936	1.7
317.13480	2.4
359.02652	2.3
360.02850	6.5
446.27258	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	446.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.6
55.05500	2.5
57.07069	1.3
58.61980	0.5
61.10102	0.6
61.16351	0.5
67.05503	2.9
69.07063	2.9
70.60632	1.0
70.60987	1.5
71.08644	0.8
78.89324	0.5
78.96393	0.5
79.05495	0.8
81.07073	2.7
82.07351	0.5
83.08607	1.6
89.17096	0.5
91.05465	1.1
91.34200	0.5
93.07037	1.9
95.08592	2.2
97.10170	1.0
98.55602	0.5
105.06979	0.5
108.09338	0.6
109.10166	6.0
117.89014	0.5
119.08584	2.2
121.06509	11.1
121.10162	0.7
122.07281	1.4
124.11947	0.7
127.69741	0.5
135.08064	1.6
136.08844	13.1
137.06049	0.6
137.09636	11.3
138.10034	0.8
147.04367	0.6
149.06099	0.8
149.09644	1.9
151.07585	1.0
152.08318	1.8
160.65666	0.6
163.11197	1.6
164.08344	32.3
165.09123	100.0
166.09460	7.2
167.07103	1.6
176.11472	0.6
177.09097	1.6
187.11177	0.6
189.09167	1.1
191.10715	0.8
194.81152	0.6
203.10680	2.6
205.12254	8.8
206.12723	0.6
220.14421	0.6
326.22690	0.6
387.16501	0.8
388.16458	1.1
389.17358	0.8
416.15826	0.9
417.16913	1.6
418.21652	0.7
428.36545	14.8
429.37152	0.9
431.18393	1.3
446.20605	15.3
446.37604	59.2
447.21609	2.1
447.37854	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	446.129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.7
58.35268	0.6
61.02905	0.8
65.03947	0.9
69.03427	3.1
69.07049	0.9
69.39153	1.7
69.39557	3.5
70.06586	0.8
72.08157	1.9
77.11719	0.6
79.05476	1.1
81.03423	2.5
85.02915	6.5
85.06545	1.1
86.06055	1.0
86.09702	2.4
87.00831	2.4
87.04501	0.7
93.07047	1.4
95.04942	1.1
95.08685	0.9
97.02901	6.0
97.06526	1.0
99.04440	1.8
105.01856	1.7
105.07062	0.9
107.08590	2.9
108.08912	1.0
109.02888	3.2
109.10171	0.7
111.04448	0.7
116.10716	1.9
119.04927	0.7
121.02882	2.9
121.06397	0.7
121.10131	2.6
127.03922	5.2
133.02826	3.3
133.10110	1.2
134.10468	2.0
135.04422	2.6
135.08102	0.7
135.11714	1.7
136.12010	1.9
137.02400	0.6
145.04959	2.3
146.11818	1.7
149.02353	100.0
150.02728	2.2
153.05476	1.5
159.11304	2.0
161.09604	1.6
162.11540	1.5
163.03917	76.6
163.11235	1.3
164.04185	0.8
167.03442	0.9
175.12350	1.0
179.10674	2.8
180.11037	2.8
181.04970	26.9
181.12267	1.7
191.10669	0.7
197.11719	7.8
198.12070	9.6
219.14969	0.9
223.09645	0.9
231.05049	1.5
237.15959	3.9
249.11255	1.3
251.10283	1.3
260.16171	0.8
266.18372	0.7
267.12283	2.0
303.04993	0.9
315.04953	2.9
332.20584	1.5
360.02811	1.7
369.06152	1.4
447.09027	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	7.5
55.01867	9.7
55.05513	51.8
57.07078	76.5
60.37259	4.0
62.59426	2.9
65.03928	4.0
67.05498	28.9
69.07069	87.2
69.53947	7.5
69.54357	20.9
71.08635	49.2
79.05505	20.3
81.07059	62.0
83.01347	6.7
83.04980	5.9
83.08628	60.9
84.74043	3.3
85.06576	4.1
85.10197	28.9
89.09624	3.3
91.05488	15.2
93.07040	39.2
95.08606	57.7
97.06540	5.8
97.10160	38.4
98.21536	6.7
99.04457	5.4
105.07031	9.5
107.08596	22.1
107.09255	3.5
109.06507	34.9
109.10143	29.4
109.90827	3.2
111.08086	13.5
111.11727	24.3
119.08599	7.9
121.06502	7.4
121.10167	22.3
123.08060	14.4
123.11709	18.0
124.05173	3.7
125.13309	10.0
131.08589	8.0
133.10100	5.4
135.08055	11.0
135.11708	14.7
137.05975	53.6
137.09660	5.7
137.13261	5.4
139.07538	100.0
139.14793	4.6
145.10153	5.7
147.11688	6.7
149.09641	8.1
149.13254	13.3
151.07549	31.5
161.09599	8.5
163.07574	7.8
163.11148	4.6
163.14821	15.6
165.05498	13.5
165.09146	28.7
167.07008	9.3
173.03528	3.3
175.11191	10.2
177.09140	17.0
179.10738	5.9
181.08551	6.0
181.15756	3.6
183.27847	3.1
188.12056	3.8
189.09232	4.3
189.12793	10.2
191.14410	3.6
193.08655	17.9
193.12299	8.1
201.12698	4.0
202.88274	3.6
203.10709	11.1
203.14374	6.4
205.12187	4.1
206.19133	3.3
207.13913	7.7
217.12315	5.6
219.13808	5.1
221.11795	4.4
221.15402	5.4
231.13794	5.7
235.16965	3.6
245.19119	3.7
249.18498	5.8
263.20273	6.9
263.24301	3.4
278.53912	3.5
289.28934	11.6
307.29938	23.1
319.22769	3.3
335.86581	3.2
347.86420	3.9
375.28513	4.1
385.34692	17.6
399.36295	15.1
403.35776	14.0
417.37244	23.6
427.35724	10.1
445.31607	4.3
445.36890	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49517	2.4
53.52779	2.4
55.01870	9.1
55.05512	45.8
57.07078	40.3
60.06431	2.8
63.29287	2.9
66.78893	2.8
67.05502	25.6
69.00381	2.7
69.07068	81.3
71.08319	3.2
71.08637	28.1
79.05488	13.6
80.45927	2.5
80.76479	2.4
81.07056	64.0
83.04980	6.5
83.08616	48.4
85.10188	8.7
87.59380	2.3
91.05462	9.6
91.43733	2.3
93.07034	34.3
94.55868	2.7
95.04995	3.6
95.08616	51.4
97.06525	5.7
97.10181	31.1
98.20776	6.2
105.07055	3.4
107.08606	27.8
109.06525	3.8
109.10159	27.5
111.08083	9.7
111.11723	22.2
119.08609	6.2
121.06516	10.4
121.10126	18.3
123.08054	8.7
123.11702	11.0
124.05199	5.0
125.13267	7.6
133.10190	5.8
135.11668	15.2
137.05994	12.3
137.13168	4.1
139.07542	100.0
147.11775	4.1
149.09671	3.8
149.13258	11.7
151.07539	10.9
163.14795	13.9
165.05457	13.1
165.09103	26.8
167.07039	4.5
173.09714	2.6
175.11407	5.7
177.09119	5.4
177.16417	4.1
180.46761	3.1
181.08661	3.2
181.15993	3.3
189.12779	4.3
193.08582	14.9
203.10690	6.1
203.14388	3.9
208.49605	2.9
217.12166	4.9
219.13835	3.8
221.11780	5.1
231.13959	3.2
289.28922	12.6
307.29910	21.4
417.37115	4.1
427.35861	7.7
445.36942	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	445.3677
Annotation	Topsentisterol C4
Peak:m/z	Relative Intensity
53.03962	6.4
55.05508	47.5
57.07085	43.5
58.84925	4.4
59.06081	5.7
67.05514	38.3
69.06728	5.9
69.07071	77.5
69.99237	19.5
71.03057	4.5
71.08646	39.7
79.05488	28.7
81.07060	95.7
83.08629	30.3
85.06539	6.3
85.10198	26.0
89.02403	4.9
91.05453	28.2
93.07047	51.8
95.08617	100.0
97.10195	22.0
98.20685	4.1
105.07040	69.3
107.04975	4.5
107.08596	72.8
109.06506	7.4
109.10169	54.1
111.11703	22.4
117.07022	14.7
117.21454	4.1
119.08598	51.7
121.06511	6.1
121.10145	53.2
122.64659	5.3
123.08092	8.1
123.11697	33.2
125.13293	5.6
129.06996	5.3
131.08580	43.2
133.10150	40.9
135.08057	5.8
135.11705	22.9
137.09703	4.3
137.13257	11.2
139.07544	10.4
143.08565	13.1
145.10124	43.4
147.11713	39.9
149.09645	8.9
149.13234	24.0
151.07501	8.1
151.14824	5.1
155.07019	14.4
157.10133	11.4
159.11714	30.9
161.13280	20.2
163.14767	10.5
165.09129	26.5
165.16344	5.1
167.07024	40.9
171.11684	11.7
173.13264	16.1
175.14824	13.9
177.09100	12.6
179.10666	6.2
185.13260	9.5
187.14807	16.5
189.16376	15.3
191.10675	18.8
193.12227	11.5
194.07701	4.2
197.13313	4.9
199.14867	10.8
201.16328	9.2
203.17981	13.1
205.12262	12.6
213.16388	5.7
219.13885	7.9
223.22827	4.8
227.17804	5.9
231.13741	6.4
233.22690	9.1
247.24146	7.2
261.25720	7.7
263.16452	7.6
273.18533	9.6
283.23959	4.4
287.20114	15.2
287.27090	6.0
305.21283	5.9
341.32092	9.4
343.33569	34.9
367.33401	5.8
380.33646	4.4
385.34686	7.7
388.80057	4.8
388.84866	5.3
409.34766	6.5
427.35938	53.9
445.19916	12.0
445.37378	76.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3314
Annotation	5alpha,9alpha-Epidioxy-(22E)-ergosta-7,22-diene-3beta,6beta-diol
Peak:m/z	Relative Intensity
50.48042	1.1
53.03957	1.8
55.05286	1.8
55.05520	14.0
55.68598	1.2
57.03446	2.9
57.07074	4.4
61.02927	5.7
63.44111	1.1
66.92143	1.2
67.05508	8.9
69.03432	3.3
69.07078	19.6
69.27760	11.3
70.81580	1.1
71.04964	1.8
73.02914	3.2
79.05503	5.3
81.03433	3.9
81.07063	21.5
83.01340	1.8
83.04986	1.5
83.08631	8.7
85.02916	7.5
85.46651	1.1
91.03976	4.8
91.05483	5.2
92.86227	1.2
93.07051	9.2
95.04961	2.3
95.08605	15.1
97.02895	6.0
97.10186	5.5
105.07061	5.4
107.08622	5.7
109.06510	2.5
109.10172	8.7
111.11715	1.9
119.08595	3.0
121.10171	4.3
123.08100	1.3
123.11736	4.8
127.03922	1.5
129.06992	1.3
131.08586	4.1
133.10139	2.1
135.08078	1.3
135.11734	4.0
137.13258	1.8
145.10136	3.7
149.05960	2.5
149.13306	1.5
151.07542	15.4
159.08105	4.5
159.11748	1.6
161.06024	5.5
161.09642	1.5
163.11217	6.2
165.09102	2.7
167.07057	60.8
173.09662	5.2
175.07547	1.3
179.07091	3.2
185.09619	1.5
187.07516	10.7
189.09167	2.0
191.07051	19.1
191.10699	2.4
195.19731	1.2
197.54222	1.1
201.09201	4.2
205.08620	100.0
206.09021	2.0
207.10162	1.3
209.11798	2.6
215.10732	2.2
218.09444	3.0
219.10164	5.2
231.10214	5.1
233.11792	2.6
245.11862	4.4
247.13312	2.3
266.39343	1.3
283.15439	7.8
427.32111	13.1
445.33212	73.6
446.33527	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	445.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.4
53.59573	0.9
55.01871	1.4
55.05267	1.1
55.05518	16.5
57.03426	1.3
57.07082	1.6
57.08445	1.0
66.37160	0.8
66.93015	1.1
67.05515	11.4
69.03432	3.9
69.07074	9.5
69.66874	2.9
69.67298	3.8
73.04757	1.2
79.05511	6.3
81.03426	1.4
81.07063	18.3
83.01341	1.4
83.04983	2.5
83.08620	3.7
84.04545	0.9
85.02901	2.4
85.06561	2.0
91.05382	1.9
91.05858	2.7
93.07054	8.8
95.04998	2.0
95.08615	23.6
97.02901	2.6
97.06512	2.8
97.10181	21.4
98.21452	2.0
99.04489	1.1
99.08112	1.9
101.06008	1.8
105.07047	8.5
107.04925	1.1
107.08614	11.7
108.05762	1.5
109.06519	5.4
109.10161	11.2
111.08073	2.2
117.07021	1.5
119.08600	5.3
120.33038	1.0
121.06537	4.6
121.10116	5.5
123.08089	11.9
123.11708	5.0
125.06003	2.7
125.09649	7.7
131.08600	3.3
133.10155	5.8
135.08029	5.3
135.11702	3.8
137.05992	26.2
137.09593	3.2
137.13281	1.6
139.03946	1.4
139.11226	2.7
141.09064	1.0
143.08542	2.3
143.10667	7.6
145.10143	4.0
147.11697	3.2
149.06021	1.9
149.09665	5.8
149.13268	4.0
151.07558	100.0
152.07880	1.9
153.05452	1.9
153.09137	1.0
155.08557	1.7
157.10139	2.9
157.12225	1.3
159.08052	1.8
159.11732	3.3
161.05960	1.0
161.09604	4.9
161.13298	2.3
163.07573	8.2
163.11171	2.4
163.14786	1.4
165.09145	9.8
167.05608	2.4
167.06943	1.1
171.11684	2.5
173.09628	2.1
173.13242	2.7
175.07605	2.8
175.11214	3.7
175.14868	1.6
177.09129	24.1
177.12689	1.3
177.16447	0.9
183.76593	1.0
185.13307	1.2
187.11224	1.3
187.14790	1.8
189.09134	3.9
189.11185	1.9
189.12758	4.0
191.10732	11.6
197.11763	1.2
203.10640	1.7
203.14233	1.1
205.12318	2.2
215.14333	1.1
217.12086	1.4
219.13840	1.0
259.16867	1.1
271.16980	1.9
285.54037	1.0
286.41788	1.0
289.18085	1.3
303.19553	2.8
307.22601	4.6
359.02841	3.0
381.27847	2.3
391.26230	1.0
399.28955	3.5
409.27271	3.6
427.28415	7.1
445.18182	1.4
445.29568	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3315
Annotation	5alpha,9alpha-Epidioxy-(22E)-ergosta-7,22-diene-3beta,6beta-diol
Peak:m/z	Relative Intensity
53.03941	0.8
55.05259	0.6
55.05512	9.0
57.03424	0.5
57.07076	3.4
65.03951	0.4
67.05505	8.0
69.03451	0.4
69.06729	0.9
69.07072	12.7
71.08622	1.7
71.57327	0.7
79.05489	3.7
81.07063	17.6
83.01345	1.5
83.08622	4.7
85.02901	0.5
85.06538	1.4
85.10191	0.9
91.05460	2.4
93.07049	5.9
95.04971	0.6
95.08612	13.6
97.10149	2.6
105.07035	2.4
107.08597	3.3
109.06528	0.5
109.10168	7.0
111.11723	1.6
112.12054	0.4
113.58745	0.4
117.07011	0.5
119.04948	1.0
119.08595	1.3
121.06504	1.4
121.10146	1.5
123.08067	0.9
123.11710	3.0
128.06226	0.8
128.68660	0.4
129.06999	0.8
130.07796	0.6
131.08571	1.8
133.06537	2.3
133.10114	0.9
135.08064	1.6
135.11719	1.1
137.05957	0.6
137.13239	1.7
142.07793	0.5
143.08624	0.9
145.10107	2.1
147.08066	0.9
147.11697	0.8
149.05977	1.5
149.09612	0.9
149.13266	0.8
151.07535	2.6
151.14815	0.6
153.05406	0.6
155.08585	0.5
157.10167	1.1
158.07292	0.6
159.08101	3.4
159.11696	1.2
161.05984	1.4
161.09666	1.2
163.07582	0.5
165.09062	0.5
167.07053	20.9
171.08098	1.1
172.08827	0.9
173.09641	4.4
175.07579	3.1
176.08299	0.6
177.05479	2.2
177.09103	2.4
177.12688	0.4
179.07098	1.1
181.08611	0.6
185.09663	1.5
187.07578	0.8
187.11168	1.7
189.09116	2.9
191.07043	4.5
191.10620	1.5
193.08653	1.1
199.11145	0.5
201.09128	4.9
203.06976	1.5
203.10696	1.8
204.07895	2.1
205.08607	8.6
205.12325	0.6
207.10185	1.4
213.09158	0.7
215.10692	3.3
217.08565	2.1
218.09404	5.3
219.10158	6.9
220.36121	0.5
221.11604	0.7
224.76303	0.4
231.10172	4.6
232.11026	0.5
233.11794	2.4
239.73286	0.5
245.11792	1.4
259.13342	1.1
273.14609	0.5
279.26901	0.9
297.18628	0.4
301.71310	0.4
334.89435	0.5
359.03186	0.5
371.25793	0.5
399.32501	0.7
409.30811	1.1
427.32065	16.3
428.32281	1.0
445.33145	100.0
446.33496	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	445.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.3
55.01876	4.5
55.05515	18.6
56.38196	2.3
57.03434	4.2
57.07080	2.6
65.03927	3.0
67.05510	46.1
69.07075	16.8
70.22729	1.8
71.04987	2.8
79.05497	35.9
79.77444	1.9
81.03430	5.0
81.07056	42.4
83.04952	2.7
83.08615	8.0
83.22724	1.9
85.06551	2.8
91.05470	51.9
93.07052	38.4
94.42124	2.2
95.04967	6.1
95.08614	24.9
97.06570	3.5
97.10149	2.6
99.24427	1.9
103.05509	3.7
105.07038	49.3
106.61784	2.0
107.04975	6.5
107.08601	18.4
109.06544	5.4
109.10169	8.8
115.05490	3.8
116.06217	2.0
117.07021	26.2
119.04951	4.8
119.08596	32.7
121.06519	6.2
121.10137	13.2
123.08101	2.9
125.09643	2.4
128.06227	6.1
129.07008	19.4
131.08572	36.3
133.06535	3.6
133.10109	16.7
135.08034	3.2
135.11697	5.2
141.06972	5.5
142.07820	2.8
143.08560	15.3
144.09232	2.0
145.06476	4.1
145.10144	23.0
147.04431	24.4
147.08084	4.5
147.11722	7.3
149.09619	4.8
149.13338	2.9
151.11130	2.2
151.71739	2.1
155.08589	6.6
157.10155	8.6
159.11678	10.0
161.13300	2.3
163.11256	2.7
167.07063	2.8
167.08546	2.9
169.10139	6.4
171.11732	7.6
173.13223	4.1
175.11185	4.0
181.10179	5.6
183.11722	4.3
185.13293	5.9
187.14783	2.6
195.11850	3.4
197.13367	5.6
197.73833	2.1
199.14694	3.8
209.13306	2.4
211.14854	2.7
213.12778	1.8
223.14845	4.1
247.17010	4.6
269.18896	3.2
273.18735	2.2
325.25351	5.3
335.23792	4.6
339.28088	2.2
343.26422	4.7
351.84561	2.2
353.24750	15.0
359.02908	2.8
371.25739	16.9
389.26886	18.7
408.06473	2.3
427.28558	4.3
445.29611	100.0
446.29932	4.2
453.89182	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	445.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	7.8
55.01862	4.3
55.05509	14.1
57.03426	5.7
57.07063	8.1
61.02909	5.0
67.05511	28.0
67.12069	2.3
68.99788	5.2
69.03439	45.2
69.07079	12.0
69.25592	2.2
70.36259	8.4
71.04988	6.1
72.08142	1.8
79.05486	6.0
81.02976	3.4
81.03422	46.0
81.07062	59.9
83.04977	2.2
83.08636	14.9
83.73264	1.9
85.02431	3.2
85.02914	52.6
87.00842	20.8
93.07038	4.7
93.73656	2.1
95.04934	3.0
95.08611	59.4
95.45761	2.1
97.02889	16.1
97.10173	16.2
98.20814	2.3
99.04472	17.7
99.08053	3.1
105.01904	10.7
105.07043	4.2
106.58946	1.9
107.08559	4.4
109.02888	39.2
109.10160	73.5
111.04461	3.3
115.11209	2.3
119.08578	4.0
121.10162	4.3
123.11720	74.2
127.03923	100.0
129.01857	4.9
131.08527	2.5
133.10132	5.3
135.11681	3.6
137.13255	24.3
145.04892	2.6
147.02977	2.2
151.07616	2.4
157.10201	2.4
159.02899	2.5
159.11729	2.2
177.16441	7.9
179.17966	40.2
189.16336	2.7
197.19060	8.2
213.03932	5.9
214.16769	2.1
231.05023	24.9
249.06052	2.4
308.07956	2.4
383.56326	2.0
409.22220	2.3
445.20419	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	445.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.3
55.01864	6.9
55.05518	20.5
57.03455	4.8
57.07070	2.5
65.03934	2.2
65.35175	1.9
67.05176	3.1
67.05509	46.7
69.03434	3.6
69.07085	16.2
71.05009	3.1
71.56253	1.9
73.04770	2.9
73.67838	2.0
79.05501	40.4
81.03437	3.4
81.07068	47.3
83.04967	4.6
83.08620	8.0
83.59846	2.2
85.06531	3.3
89.61511	2.0
91.05466	57.5
91.49788	2.0
93.07061	39.8
95.04975	7.2
95.08614	25.2
97.06535	4.7
97.10162	2.6
102.38049	2.0
102.79437	2.0
105.07036	53.4
105.07676	4.1
107.04973	5.3
107.08611	18.8
109.06522	5.1
109.10184	8.6
110.27501	2.0
110.96350	2.2
115.05415	2.7
117.07033	24.5
119.04953	3.1
119.08595	32.2
121.06514	6.9
121.10165	16.2
123.08078	5.1
125.09706	2.5
129.07019	17.1
130.07777	2.2
131.08574	37.7
133.06497	5.4
133.10143	17.2
135.08055	5.1
135.11717	7.3
137.09665	3.3
141.07022	6.2
142.07747	3.1
143.08575	17.5
145.10141	26.0
147.04445	14.5
147.08066	4.7
147.11673	6.5
149.09592	4.1
155.08571	9.8
157.06494	2.1
157.10158	13.5
159.11705	10.0
161.09589	3.3
161.13295	2.8
167.08582	3.3
169.10146	4.1
171.11711	8.2
173.13271	3.6
175.11278	2.6
177.12895	2.7
181.10144	5.3
183.11732	6.0
185.13307	6.3
187.14877	4.8
195.11705	3.6
195.19905	2.2
197.13333	5.4
209.13330	2.7
211.14845	3.3
223.14790	3.5
247.16965	3.8
255.17596	2.7
259.17056	3.9
325.25400	2.9
335.23663	5.5
343.26340	4.1
351.46484	2.3
353.24710	19.6
371.25995	15.9
389.26755	15.0
427.28674	3.6
445.29599	100.0
446.30017	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58954	1.5
53.03936	1.7
57.07081	1.6
67.05508	4.8
69.03429	6.3
69.07101	1.7
70.53961	2.9
70.54330	2.6
71.05014	2.0
73.04752	2.3
77.51229	1.5
79.05460	1.5
81.03426	4.3
81.07067	10.0
84.89185	1.2
85.02912	12.0
87.00830	5.1
91.05846	2.9
93.07050	3.6
95.04974	26.5
95.08614	9.3
97.02884	5.8
99.04453	3.1
105.01886	4.4
105.07038	1.8
107.08593	6.3
109.02211	1.2
109.02857	6.1
109.06543	3.3
109.10162	16.5
111.04414	2.2
119.08537	2.1
121.10188	1.8
123.08080	4.3
123.11710	25.4
125.06032	1.5
127.03905	11.8
133.10138	5.8
135.11710	2.0
137.09637	21.3
141.05505	3.0
145.04910	2.7
151.07497	1.3
151.11191	13.5
161.09653	4.5
179.10681	91.2
197.11742	100.0
198.12094	1.9
213.03880	1.4
231.04959	2.2
283.15408	1.7
290.43182	1.3
382.21359	1.4
409.14877	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.4
65.03918	0.6
67.05475	0.4
71.00836	0.8
73.04754	1.4
74.00658	0.5
76.04007	1.0
80.05035	0.7
81.07055	0.4
84.04510	6.7
85.02893	0.7
85.04025	1.8
91.05799	1.3
92.01707	0.4
92.44646	0.4
93.05784	1.2
93.07055	0.4
94.06556	1.6
97.01141	0.7
99.02667	2.1
99.05596	0.6
106.06573	0.8
108.08120	1.4
109.02851	0.4
109.08906	1.0
110.06044	0.9
110.09677	1.0
111.02698	0.9
112.02170	0.5
112.03897	0.5
113.03496	0.4
113.04220	0.6
118.06545	1.1
119.07329	1.7
122.06035	7.0
123.08086	0.7
124.02191	0.8
125.02950	0.9
126.03726	1.9
127.02149	0.9
127.04529	1.0
130.04991	3.5
131.04543	1.5
136.07605	1.0
137.08368	36.0
138.09146	8.5
140.10722	1.9
142.06821	0.9
145.06154	1.0
150.03752	0.4
152.05321	5.6
167.05544	0.7
170.06354	100.0
171.06683	1.1
172.07893	1.8
177.03317	5.0
179.14314	1.4
180.04794	0.5
181.12221	0.5
185.03835	1.5
196.07932	9.4
206.06381	0.7
213.10606	2.0
223.08966	2.0
224.07408	12.3
231.04375	5.5
241.10069	5.5
246.54898	0.5
265.17984	0.5
279.11551	2.2
288.06564	0.6
306.07605	0.5
316.13293	5.8
352.13159	0.7
359.02744	1.2
370.14386	1.2
445.17450	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39670	0.4
55.01870	0.5
57.45613	0.4
60.72839	0.4
66.69497	0.4
68.14722	0.3
69.28330	0.4
71.30044	0.7
72.04530	0.4
73.04747	0.7
74.00667	0.5
76.04001	1.6
84.04046	0.5
84.04515	7.3
85.04020	1.4
91.05796	0.6
92.01711	1.0
93.05776	0.9
94.06574	2.0
97.01118	0.5
99.02679	1.6
99.05592	0.6
106.06546	0.6
108.08117	1.6
109.08881	0.6
110.06036	0.6
110.09680	0.8
111.02671	0.7
113.03516	0.6
118.06538	0.9
119.07318	1.4
122.06041	6.8
124.02191	0.6
124.07477	0.4
125.02989	0.7
125.04210	0.6
126.03748	2.0
127.02081	0.8
127.04523	0.7
130.05019	3.1
131.04535	1.3
135.02644	0.9
136.02158	0.5
136.07570	0.7
137.08366	37.5
138.09158	8.1
140.10719	1.5
142.03191	0.8
142.06871	0.8
145.06052	0.5
150.03755	0.4
152.05315	5.2
170.06360	100.0
171.06700	0.8
172.07915	1.9
177.03317	4.8
178.03299	0.5
179.14310	0.7
181.06085	0.5
185.03804	1.7
196.07916	9.3
206.06425	1.0
213.10597	2.1
223.09079	2.1
224.07423	12.3
231.04338	5.3
241.10077	6.1
265.99942	0.4
279.11609	2.4
288.06464	0.9
306.07712	0.5
309.70065	0.4
316.13306	6.7
325.13226	0.4
349.92514	0.4
352.13196	0.8
359.02924	0.9
370.14413	1.1
445.17972	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	445.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
53.41323	0.4
55.01868	1.1
55.05511	0.8
57.03419	1.6
61.02932	0.6
61.91277	0.5
62.34422	0.4
67.05507	1.2
69.03435	6.0
69.23146	5.4
69.23479	1.1
71.04985	0.6
73.02890	0.7
79.05504	1.2
81.03421	5.1
81.07042	1.1
85.02917	12.1
86.62070	0.5
87.00842	4.7
91.05443	3.7
93.07050	5.6
95.04962	1.8
97.02881	4.0
99.04458	2.2
105.01856	4.0
105.07026	6.2
107.08598	16.3
109.02880	5.5
109.06543	1.1
109.10143	1.5
119.08585	2.0
121.06484	1.4
123.04394	0.8
127.03933	9.3
129.01822	0.7
133.10136	16.4
135.11703	18.3
137.06012	0.8
137.09601	1.6
144.36659	0.5
145.04985	2.1
151.11176	1.6
159.02870	1.3
161.09637	9.9
179.10677	31.3
180.11058	0.6
191.87816	0.5
193.98965	0.5
197.11743	100.0
198.12039	1.6
213.03862	0.6
231.04994	1.5
251.03535	0.7
283.09857	1.4
299.09061	0.6
301.10962	1.2
336.70416	0.5
417.64124	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.8
55.01874	1.9
55.05534	1.3
55.89505	1.3
56.62065	1.1
57.03434	2.0
61.02917	3.5
63.49275	1.2
67.05507	1.4
69.03431	9.1
70.91495	2.9
70.99969	1.4
71.29639	1.2
73.02913	1.1
73.04784	1.4
79.05487	2.9
81.03426	8.6
81.07041	4.3
83.04938	1.7
85.02909	17.6
85.06548	4.2
86.72450	1.3
87.00832	4.2
89.34143	1.4
91.05370	1.7
91.05862	3.0
93.07034	4.6
95.08604	1.6
97.02883	6.8
97.06557	1.6
99.04436	2.7
105.01859	2.2
105.07037	7.1
107.08598	27.4
109.02888	8.3
109.10184	2.9
111.46860	1.2
115.84943	1.5
119.08588	6.5
121.10147	5.9
123.08034	1.5
123.11644	1.3
127.03928	11.4
131.08621	1.7
133.10146	17.6
135.08035	1.5
137.02324	1.8
145.04945	2.9
147.04411	2.3
149.09659	3.1
151.11165	6.0
154.88591	1.4
159.02914	2.4
159.09111	1.4
161.09671	6.5
163.11192	1.3
167.05553	1.3
167.10657	12.8
179.10689	14.6
192.27966	1.7
197.11743	100.0
198.12160	1.8
231.05005	2.9
238.75972	1.4
265.18118	3.5
306.11942	1.4
314.08194	1.3
359.02835	3.7
442.74957	1.3
445.17316	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	443.3887
Annotation	Taraxast-20-ene-3beta,30-diol
Peak:m/z	Relative Intensity
53.03953	3.8
55.01879	2.4
55.05507	16.6
55.38018	1.5
57.07077	11.7
59.04997	2.9
67.05509	20.1
69.03432	2.2
69.06725	2.3
69.07074	36.9
70.87156	4.3
71.04988	4.5
71.08636	4.3
71.19530	1.6
79.05495	14.1
81.07063	59.3
82.07377	2.0
83.04972	3.5
83.08618	12.0
85.06532	3.5
91.05486	10.7
93.07046	43.9
95.08615	79.6
97.06543	3.3
97.10167	7.6
99.08076	2.4
105.07034	18.3
107.08599	69.7
109.06541	2.0
109.10164	42.1
111.08071	7.5
117.07020	1.7
118.36484	1.8
119.08584	15.6
121.10149	83.3
123.11714	23.0
125.09617	6.1
131.08644	3.7
133.10147	15.3
135.11697	38.1
137.05977	6.3
137.13258	21.9
139.11174	3.4
144.09444	1.8
145.10144	7.5
147.11700	17.5
149.13260	77.1
153.12718	2.7
159.11697	9.0
161.13255	12.1
163.14781	10.2
173.09775	2.5
173.13229	4.4
175.14783	9.4
177.16396	61.5
187.11203	3.5
187.14856	5.9
187.40881	2.1
189.16417	7.5
191.17958	100.0
192.18359	4.9
195.17467	47.4
203.17940	5.9
205.15865	5.3
205.19553	7.8
215.17950	7.1
217.19534	14.5
223.16914	7.0
225.78206	1.8
227.17834	2.0
229.19518	7.5
231.21115	12.6
233.18999	6.4
243.21140	2.0
247.20555	2.2
251.20088	7.4
255.21155	3.1
257.22696	3.2
279.23160	4.2
285.25742	9.5
302.33978	1.8
314.40924	1.9
355.29971	6.5
383.33276	3.1
407.36841	3.6
425.37808	100.0
426.38156	4.3
443.33420	7.5
443.38959	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	443.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.9
55.05516	64.9
57.03437	3.3
57.06512	1.4
57.06822	2.1
57.07082	32.0
59.05005	2.3
59.88747	1.3
67.05513	25.3
69.07076	100.0
70.07362	1.6
71.04990	6.5
71.08643	19.7
73.06541	3.5
79.05499	18.3
81.07066	44.2
83.04970	6.1
83.08626	67.9
85.06531	5.1
85.10203	6.6
87.04472	2.0
87.54935	1.5
91.05462	4.4
93.07055	31.8
95.04955	1.5
95.08617	51.8
95.09236	2.7
97.06538	22.2
97.10180	63.0
98.20715	4.5
99.08105	5.3
101.06013	2.4
105.06986	3.5
107.08607	32.3
109.10163	19.3
111.08094	16.3
111.11726	26.7
113.09628	1.4
115.07561	5.0
115.11187	1.9
119.08604	1.9
121.10157	42.7
123.11697	8.1
125.09624	14.3
125.13284	8.6
129.09097	5.0
129.12769	1.5
133.10104	4.3
135.11700	28.8
137.13237	4.4
139.11183	11.9
139.14854	1.7
143.10672	6.1
147.11702	1.8
149.09634	2.3
149.13249	6.0
153.12732	5.4
153.16429	2.9
157.12251	3.9
159.11682	2.1
163.07814	1.4
163.14894	1.6
171.13899	2.1
177.16405	88.0
195.17467	75.6
213.18506	39.3
213.22153	4.3
231.23184	6.0
240.18378	1.6
254.21202	2.0
295.42807	1.5
321.57721	1.6
356.73013	1.5
393.33499	1.7
407.33026	2.0
411.11502	1.5
425.33984	5.7
443.34476	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	443.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98341	2.0
53.03942	5.9
55.01870	3.8
55.05517	12.7
56.17043	2.0
57.07091	4.8
67.05506	25.4
68.99797	12.9
69.03423	3.9
69.07073	20.3
70.21592	10.0
71.27502	2.3
79.05502	15.1
81.03426	3.4
81.07069	31.7
83.01353	5.6
83.04984	4.8
83.08627	11.3
85.06531	2.5
91.05479	12.7
93.07041	18.3
93.83025	2.0
95.04958	3.9
95.08606	29.0
97.06529	9.5
97.10165	5.4
98.20778	2.5
100.75507	2.7
105.07011	10.7
107.05008	2.4
107.08599	14.3
109.06536	5.2
109.10171	9.7
111.00803	29.7
111.04475	6.3
119.04929	3.3
119.08601	8.7
121.06535	4.1
121.10157	14.3
123.04440	3.2
123.08064	5.0
123.11737	3.5
125.05980	2.3
125.09565	2.6
127.03930	9.3
129.07045	5.0
131.08623	4.1
133.10139	8.7
135.08109	4.0
135.11684	8.2
137.09621	3.3
139.03918	23.9
143.08582	4.1
145.10159	5.7
147.04466	2.5
147.11697	9.8
149.09625	4.8
157.10086	2.9
161.13289	4.7
163.07552	3.6
163.11191	2.1
165.09151	9.0
167.07050	2.9
171.11613	4.0
173.05922	2.4
173.13292	2.5
181.04968	5.4
181.08574	2.6
187.46907	2.5
195.06546	3.9
199.06010	8.7
203.18033	3.2
209.08067	3.6
209.11760	2.6
223.13251	2.5
237.11310	2.7
247.09669	5.2
249.11122	2.6
249.18518	3.4
255.17372	2.6
263.19949	3.0
277.14417	3.1
291.19601	2.4
305.21146	15.9
315.19556	5.7
333.20624	100.0
334.20743	4.3
351.21555	12.5
425.25369	20.4
443.31747	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	443.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.6
55.01867	6.9
55.05515	15.4
57.03428	9.1
57.07056	2.9
59.05001	3.9
61.02933	17.4
65.03932	1.9
67.05489	9.9
67.53251	2.2
69.03429	38.2
69.07049	4.1
69.53761	13.5
71.04996	8.7
73.02927	4.9
76.04009	1.8
77.39154	1.9
79.05515	10.7
81.01712	1.8
81.03426	19.2
81.07054	8.9
83.04979	26.1
85.02909	100.0
85.06540	8.3
87.04455	6.6
91.03947	4.7
91.05473	14.7
93.07061	18.1
95.04974	21.1
95.08648	10.7
97.02898	35.7
97.06542	2.8
98.21465	4.3
99.04452	9.1
99.08104	2.1
101.06027	13.0
105.07031	24.8
107.04967	2.2
107.08619	20.3
109.02883	13.7
109.06533	11.4
109.10150	19.4
111.04456	12.1
117.07018	8.0
119.08591	39.3
120.93239	2.1
121.06520	8.0
121.10149	32.3
123.04440	14.7
123.08064	6.8
123.11724	4.0
125.06027	2.3
127.03921	17.0
127.07509	2.3
128.06273	3.2
129.07072	4.7
131.08585	11.9
133.10132	14.7
135.04532	2.1
135.08035	12.1
135.11719	12.6
137.05946	3.6
137.09615	27.9
142.07834	3.1
143.08583	8.7
145.04948	13.7
145.10127	14.0
147.04433	3.0
147.08051	4.0
147.11678	4.5
149.09639	7.9
151.11133	3.4
155.08572	2.9
156.09360	4.9
157.10179	14.7
159.08063	80.7
159.11661	10.6
161.09631	14.9
161.13249	6.5
163.11189	46.7
165.05486	4.9
165.12770	2.4
166.05829	4.3
169.10159	6.4
171.08066	2.7
171.11739	6.7
173.09615	4.6
173.13174	3.7
175.11195	9.0
175.14851	4.5
177.09129	21.6
177.12758	3.3
179.08531	4.4
179.10669	3.8
179.14368	2.6
181.12247	17.6
183.11688	5.2
185.09627	4.6
185.13260	8.8
187.11214	10.4
189.12730	5.4
194.10881	3.4
195.02931	2.7
195.10182	3.7
199.14861	7.2
201.12738	7.0
203.14279	19.0
205.12227	4.2
209.13260	6.0
212.12144	2.5
215.14336	9.4
217.15887	7.1
219.13829	12.0
221.15509	2.7
227.14342	13.0
233.15390	8.8
234.50571	2.4
239.07082	2.7
245.15395	57.3
263.16446	76.6
273.21259	2.2
281.17444	13.1
295.06125	4.7
323.05447	2.4
343.17352	2.2
443.22809	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.8
55.05511	11.5
59.04981	6.2
67.05492	7.4
69.03442	23.9
69.07059	15.5
69.45274	33.6
69.45685	8.3
69.85583	4.6
71.04990	6.1
79.05477	12.3
81.03414	11.0
81.07070	24.4
83.08622	12.1
85.02909	31.8
87.00816	10.9
91.05475	14.1
93.07027	23.7
95.04971	6.7
95.08611	57.1
97.02905	12.8
99.04456	9.2
99.08086	22.8
105.01882	10.5
105.07034	17.4
107.04925	5.2
107.08597	45.5
109.02859	17.4
109.10152	23.5
115.90028	6.3
119.08579	13.2
121.06551	7.0
121.10143	66.4
123.11697	13.9
125.09592	9.6
127.03918	24.5
130.52771	5.2
131.08633	7.5
131.60808	5.1
133.10126	26.6
135.11646	17.1
137.13225	9.4
141.95499	5.7
145.10097	12.4
147.04401	5.7
147.11752	9.4
149.13217	11.0
159.11734	8.5
161.13327	5.9
175.14848	18.1
177.16400	100.0
181.10022	4.8
187.14864	5.9
193.15846	9.3
195.06558	15.6
195.17459	13.7
201.16370	5.0
218.72336	5.6
225.53494	5.0
231.04918	8.1
285.18701	8.1
313.13974	4.9
407.20514	5.7
443.18600	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	443.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02407	4.4
53.03933	16.8
53.42780	5.0
55.01853	9.9
55.05499	18.7
56.79928	4.2
57.03447	27.7
61.02922	31.7
65.03925	5.8
67.05506	61.1
68.09926	4.8
69.03433	46.5
69.07056	15.8
71.04989	9.1
71.08257	9.3
73.02900	14.4
79.05499	100.0
81.03423	38.7
81.07068	59.5
82.50204	4.3
83.05017	22.4
83.08616	12.3
85.02908	48.3
91.03946	16.5
91.05486	79.7
93.07045	85.4
95.04977	29.2
95.08620	53.2
97.02901	33.1
97.06534	6.7
97.10146	10.4
101.02389	10.9
102.30009	4.7
103.03967	7.1
105.07045	66.3
107.04953	19.3
107.08600	21.5
109.02870	12.7
109.06535	8.9
109.10149	11.1
113.69981	4.6
115.05404	6.0
117.07044	21.5
119.04942	21.1
119.08576	33.6
120.08092	4.5
121.06487	10.3
121.10175	12.3
123.08105	10.3
127.03917	27.5
129.07025	28.8
131.08572	17.0
133.06467	6.5
133.10158	15.0
135.11743	5.7
143.08549	17.9
145.04965	8.4
145.06396	8.0
145.10127	22.1
147.04428	39.9
147.08008	9.4
147.11691	50.3
157.10126	6.3
159.08005	8.2
159.11629	5.9
161.09616	13.4
161.13257	18.2
165.09052	5.4
171.08157	5.3
171.11687	44.5
173.13243	5.2
189.12741	16.8
191.10559	4.7
195.03148	12.0
207.13789	43.1
257.15341	4.2
259.17154	4.4
276.19702	4.9
281.17511	74.8
287.16473	13.0
309.17215	9.4
347.73254	5.0
361.20090	6.9
389.19489	5.0
425.21686	10.3
443.25311	25.4
443.97128	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	443.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	14.7
55.01871	6.6
55.05514	31.6
57.03438	27.9
57.39986	5.0
61.02927	38.4
62.70385	4.8
67.05505	77.2
69.03437	40.5
69.07052	16.5
71.08047	9.6
71.08382	6.8
73.02905	18.0
79.05498	98.4
81.03429	54.1
81.07060	76.1
83.04991	26.0
83.08600	7.1
85.02914	59.7
85.06557	6.2
91.03964	21.0
91.04961	7.9
91.05479	87.7
93.07050	100.0
95.04984	28.6
95.08620	51.6
97.02896	24.0
97.06522	5.6
97.10192	8.1
99.04472	8.6
101.02368	8.0
103.03887	7.6
105.07032	62.6
107.04971	15.9
107.08582	36.8
109.02862	14.2
109.06475	9.4
109.10162	11.9
111.04430	5.3
111.08134	7.5
116.07051	5.5
117.07012	17.7
119.04935	12.8
119.08585	43.9
121.06499	8.1
121.10133	13.7
123.08049	12.9
127.03930	27.9
129.07013	29.7
130.07808	4.6
131.08556	18.7
133.06435	11.0
133.10126	17.8
135.11713	6.8
137.09634	5.8
138.09137	7.8
140.54773	5.3
141.06956	6.1
143.08595	15.3
145.05013	6.9
145.10121	17.1
147.04443	38.4
147.08041	10.3
147.11674	55.1
151.07526	13.2
155.08571	6.5
159.11691	6.7
161.09621	12.1
161.13257	20.5
165.09174	10.7
171.07983	6.3
171.11732	45.5
189.12787	24.8
195.03214	6.9
207.13795	56.5
230.10306	4.8
258.13083	4.9
281.17480	95.5
287.16470	12.2
295.19043	5.2
300.32611	5.2
307.23282	5.2
323.18753	5.6
327.53125	4.8
343.18964	9.4
361.20331	7.6
378.34558	5.5
389.19592	6.2
401.46512	5.4
443.25546	57.0
464.18423	6.5
464.44449	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.5
55.05500	1.6
57.07055	0.5
67.05521	2.0
69.03413	1.0
69.07069	1.3
69.52195	2.9
71.04996	0.5
76.93311	0.4
79.05491	1.2
81.03426	0.6
81.07063	2.4
82.70767	0.4
83.08630	0.6
85.02887	0.7
85.06514	0.4
91.05490	1.2
93.07035	1.6
93.60153	0.4
95.08604	2.9
97.06553	0.5
97.10173	1.0
98.11003	0.4
98.21556	0.9
105.07050	1.5
107.08597	2.0
109.02863	0.4
109.06539	0.5
109.10154	2.4
111.04427	0.7
119.08586	1.2
119.70483	0.4
121.06557	0.8
121.10139	1.2
123.08105	0.9
123.11690	0.6
125.05965	0.5
127.03921	1.0
131.08569	0.7
133.10103	1.0
135.08058	0.9
135.11664	0.5
137.05974	1.0
137.09639	1.5
141.09232	0.6
145.10146	0.9
147.04413	2.6
147.11716	1.0
149.09612	1.0
149.13266	0.7
151.07526	3.0
155.08640	0.4
159.11754	0.7
161.09615	0.7
161.13257	0.9
163.26978	0.4
165.09123	10.3
171.11594	0.5
173.13165	0.6
175.11150	1.0
177.09119	1.1
179.10741	0.5
185.04283	0.6
185.15335	0.5
187.11122	0.5
189.12769	0.9
191.10683	1.1
195.12022	0.5
195.13560	2.4
205.12242	0.9
219.13878	0.4
223.13107	0.8
227.05191	0.6
259.17068	0.5
271.04340	0.5
280.92203	0.4
289.18396	0.5
293.17462	1.4
311.18497	1.1
357.18857	10.8
381.18817	0.8
399.19922	39.3
400.20032	0.8
443.18915	100.0
444.19513	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00732	2.5
53.03955	14.8
55.01868	11.4
55.05517	15.0
57.03429	11.8
57.07068	5.8
61.02914	7.9
64.10974	3.1
67.05507	15.4
68.99783	8.0
69.03434	54.0
69.07082	18.7
69.75976	4.6
69.76379	13.3
71.04986	11.5
73.02905	9.6
79.05495	21.9
81.03419	55.4
81.07066	58.3
83.08607	7.5
85.02911	96.1
87.00824	39.5
91.05471	18.4
93.07050	39.5
94.02907	2.4
95.04978	5.0
95.08616	61.8
97.02899	35.4
97.10211	3.2
98.20776	5.0
99.04465	20.8
100.05138	2.6
105.01869	28.2
105.07041	22.6
107.04971	4.1
107.08593	59.3
109.02888	43.9
109.10170	31.1
115.03944	7.7
117.01849	5.7
118.38742	2.6
119.08598	17.5
120.25311	2.6
121.10151	86.2
123.08037	2.8
123.11711	40.3
127.03921	82.0
129.01884	3.3
130.02295	2.3
131.08565	5.7
133.10156	12.6
135.11693	33.2
137.13275	33.7
145.04962	22.0
145.10152	6.8
145.37898	2.7
147.02905	4.8
147.11678	6.5
149.09618	3.3
149.13251	10.6
159.02917	27.6
159.11682	6.6
161.13257	12.2
163.14851	3.4
165.09099	3.0
173.13251	3.7
175.14851	14.7
177.16396	100.0
179.14233	2.9
179.17990	17.7
183.44493	2.7
189.16415	3.5
195.17451	6.8
201.16583	3.7
205.15860	2.7
227.14388	3.1
231.04953	14.8
267.17480	4.6
285.18253	5.7
407.20755	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	441.3728
Annotation	11-Oxo-beta-amyrin
Peak:m/z	Relative Intensity
55.05512	6.6
55.63100	1.0
57.07072	3.2
64.11256	1.2
67.05496	7.0
69.03442	1.1
69.07074	5.4
69.56955	8.1
75.74480	1.0
78.63731	1.3
79.05498	4.4
80.16531	1.1
81.07063	16.6
83.04977	1.6
83.08640	5.2
91.05486	2.2
93.07037	8.8
95.05478	1.0
95.08607	28.2
95.09163	2.2
97.10186	1.2
98.20746	2.2
103.26031	1.0
105.07036	4.9
107.08588	10.7
109.10165	16.5
111.08073	3.9
115.55615	1.0
119.08582	7.1
121.06522	3.4
121.10146	11.5
123.08057	4.0
123.11719	18.9
130.08640	1.1
133.10126	4.9
135.08073	4.4
135.11713	8.2
135.86752	1.1
136.49779	1.1
137.09605	1.9
137.13251	7.1
145.10176	3.4
147.08025	1.3
147.11681	3.8
149.09612	5.4
149.13307	6.9
151.11200	1.8
151.14882	1.4
157.10159	2.5
159.11728	3.5
161.13272	2.6
163.11186	1.2
163.14856	2.8
173.13335	3.0
175.14879	2.6
185.13315	3.2
189.12828	1.3
189.16403	3.6
191.14264	2.3
191.17966	4.3
199.14902	2.7
201.16489	2.6
203.14339	3.6
205.19440	1.6
213.16501	1.4
215.17839	1.3
217.15913	5.0
235.17052	1.9
269.22678	1.2
313.25000	1.0
327.26917	1.4
353.28412	5.7
367.53442	1.4
405.35477	2.0
423.36203	30.9
424.36768	1.3
441.37311	100.0
442.37576	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	441.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58804	1.9
55.05512	16.4
57.07059	9.0
67.05504	20.5
69.07069	32.2
71.08635	4.0
71.40923	3.2
79.05480	11.5
81.07062	56.0
83.08611	15.4
91.05469	7.8
93.07040	27.8
95.08609	85.8
97.10166	15.0
105.07019	20.8
107.08598	31.8
109.10157	60.1
111.11710	9.6
116.01538	2.4
119.08583	29.1
121.06527	4.4
121.10145	36.8
123.08080	3.1
123.11719	36.2
131.08563	7.7
133.10144	32.3
135.08037	8.5
135.11678	22.9
137.13263	31.0
139.07536	2.8
145.10109	9.6
147.08023	7.0
147.11694	16.7
149.09650	9.9
149.13284	20.2
151.07585	2.8
151.14799	11.9
153.09125	2.9
157.10139	3.6
159.11658	11.0
161.09637	7.9
161.13264	9.6
163.14812	8.0
164.17407	2.2
165.09157	4.0
165.16422	10.2
171.11703	5.2
171.60406	1.9
173.09619	3.4
173.13278	5.7
175.11214	5.2
175.14830	11.7
177.16444	10.9
179.10628	5.9
183.11729	3.7
187.14911	7.4
189.12813	4.3
189.16354	13.6
190.31271	2.6
191.17938	4.8
193.12190	4.4
199.14850	6.2
203.17950	3.3
205.19514	38.3
207.13889	11.5
207.17545	3.7
211.14864	2.9
213.16324	2.7
215.14345	2.4
215.17967	6.0
217.15907	6.4
225.16374	3.7
229.19440	6.4
231.20889	3.5
233.15279	2.7
235.16933	46.3
243.17398	6.2
243.21161	2.4
245.18953	4.4
257.19098	4.8
259.17325	2.4
259.20645	5.1
261.18478	3.8
263.20059	5.5
267.21097	5.8
273.22189	8.4
275.20148	4.8
277.21857	2.4
285.22214	10.0
303.23380	2.4
317.24750	3.4
385.31027	4.2
395.36563	4.5
405.35031	8.6
423.36267	52.5
424.36371	2.5
441.37283	100.0
442.37598	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2487
Annotation	Spinanine A
Peak:m/z	Relative Intensity
55.01896	3.2
55.05519	17.9
57.77451	2.4
67.05528	17.4
68.99780	4.5
69.07067	11.1
71.57262	4.2
79.05521	14.7
79.05883	3.1
81.03436	3.0
81.07069	18.2
82.10056	2.4
83.08617	9.5
91.05489	6.6
93.07034	11.7
95.04965	2.8
95.08616	22.3
97.06522	3.7
97.10181	11.4
105.07048	4.5
107.08591	8.3
109.10212	13.0
111.00797	7.5
117.07021	4.9
119.08539	5.0
121.10159	9.3
122.28815	2.6
123.11683	5.2
125.09643	2.7
127.03932	100.0
129.07016	5.8
131.08531	4.2
135.11681	5.2
139.03801	3.9
143.08626	2.6
145.06461	3.1
155.08501	3.0
160.81110	2.4
165.09088	4.6
177.16389	3.4
197.13327	2.8
215.14323	11.2
279.19452	4.4
307.19055	11.1
321.20844	3.7
331.19144	3.4
349.20105	82.6
367.22665	9.6
423.23865	9.1
441.26233	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	441.373
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
53.26078	0.5
55.05510	1.5
57.07082	1.0
59.26901	0.5
67.05503	3.0
69.07071	4.2
69.40111	4.9
74.09146	0.5
79.05493	2.1
81.07066	8.0
83.08619	2.1
91.05482	2.0
93.07058	4.8
95.08615	12.6
97.10173	0.6
98.20742	0.9
105.06990	2.5
107.08614	6.8
109.10176	8.7
119.08608	3.5
121.06512	1.1
121.10155	8.2
122.15021	0.5
123.08086	1.0
123.11727	7.9
123.97530	0.5
131.08592	1.0
133.10164	2.4
135.08067	1.7
135.11716	5.5
137.13257	4.9
142.94569	0.6
145.10130	1.1
147.11708	2.5
149.09628	2.6
149.13263	4.0
151.11201	1.1
151.14827	0.9
159.11710	0.9
160.72258	0.5
161.09673	0.8
161.13290	2.2
162.64018	0.8
163.11237	1.2
163.14857	2.1
163.63098	0.6
171.11809	0.9
173.13316	1.1
175.11226	0.6
175.14888	1.5
177.12782	1.3
177.16405	0.9
187.14867	1.0
189.16464	1.5
191.14383	0.8
191.17995	1.3
199.14926	1.1
201.16483	0.8
203.17915	1.2
205.19624	0.9
215.18130	0.6
217.15999	1.0
217.19588	0.7
231.21275	0.5
243.17432	0.8
287.23779	4.2
301.25302	5.6
381.35889	0.6
423.36163	3.1
441.37323	100.0
442.37662	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	441.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
54.49509	0.4
55.05505	0.7
57.03407	0.5
61.50610	0.4
66.44447	0.3
66.73985	0.5
67.05499	0.7
68.99786	0.5
69.03427	2.3
69.07052	0.8
69.64157	1.3
69.64585	1.4
70.06595	0.8
71.04976	0.6
73.02946	0.5
76.92310	0.4
79.05494	0.8
81.03404	1.8
81.07051	2.6
85.02918	3.5
87.00851	0.6
91.05476	0.8
93.07031	1.8
95.04951	0.8
95.08596	1.4
97.02879	1.3
99.04474	3.2
105.01888	0.5
105.07028	1.3
107.04964	0.5
107.08604	2.2
107.55849	0.5
109.02853	1.3
109.06558	0.5
109.10163	1.5
117.09118	1.2
119.08588	2.6
120.08107	0.8
121.06496	0.4
121.10135	1.3
125.05991	0.5
127.03938	2.3
131.08580	0.7
131.53403	0.4
133.10098	4.2
135.11693	1.9
137.05952	0.5
145.10094	0.5
146.05968	0.5
147.04404	0.9
147.11617	0.4
151.03879	0.8
151.11205	0.4
157.10225	0.7
159.11659	0.5
165.05475	0.5
169.04890	0.5
173.13313	0.4
175.14870	2.1
193.04973	100.0
193.15909	1.6
194.05318	1.8
213.04036	1.1
223.09782	0.4
231.05042	0.5
245.04431	0.6
249.34720	0.4
261.14911	2.0
279.15909	1.8
281.09164	0.4
303.04846	0.4
303.74582	0.4
355.10007	0.8
390.96127	0.5
394.99133	0.9
441.10355	1.0
441.21426	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.1
53.03943	3.3
55.05507	5.9
57.03419	2.0
67.05508	6.1
69.03429	10.0
69.07067	5.7
69.41184	18.3
71.04993	4.7
77.03557	2.1
79.05493	3.9
81.03417	9.2
81.07062	16.6
83.08630	4.1
84.08126	3.0
85.02911	8.9
87.00840	4.1
91.05492	7.8
93.07053	9.8
95.04978	5.4
95.08627	24.5
97.02892	5.0
97.10169	2.7
99.04448	7.0
99.08082	5.2
105.07037	14.6
107.08601	16.8
109.02889	5.6
109.06545	4.0
109.10168	6.9
111.04475	2.1
117.07048	2.8
119.07790	4.1
119.08597	54.0
121.06485	2.8
121.10150	5.0
123.08045	3.3
123.11713	6.4
127.03942	12.1
131.08560	3.0
133.10143	100.0
135.11688	19.0
145.10117	4.1
147.11743	4.5
149.13286	3.5
157.43517	2.0
159.11786	2.6
160.12325	1.9
161.06035	2.6
161.13269	2.4
165.09108	4.6
173.13249	4.6
175.14841	87.0
179.10741	2.2
189.12823	2.3
191.14297	2.7
193.15901	9.3
197.13445	2.0
201.12637	2.0
211.14946	2.5
231.04871	2.8
405.19135	2.3
423.20020	4.2
441.17010	10.2
441.30884	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	441.212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.1
55.05507	14.4
57.07080	4.0
63.63955	3.0
67.05498	28.6
68.99797	6.4
69.03428	23.8
69.07069	10.7
71.04994	10.4
71.56275	3.9
79.05492	10.6
81.03423	17.5
81.07069	23.4
83.04984	13.3
83.08611	10.2
85.02916	24.0
85.06554	9.9
87.00835	12.2
91.05482	13.7
93.07056	19.9
95.04938	13.6
95.08603	27.4
97.02921	14.3
98.65614	2.7
99.04450	6.3
99.08109	21.8
103.56650	2.7
105.07037	19.3
107.04948	5.5
107.08588	22.4
109.02896	11.9
109.06503	20.3
109.10167	88.0
111.04430	3.7
111.11732	3.0
113.02364	3.9
115.03903	3.6
115.47720	2.7
117.07085	4.7
119.04946	5.3
119.08595	27.4
121.06554	4.4
121.10151	18.2
123.08073	8.1
123.11752	3.8
125.09615	18.8
127.03924	20.5
129.06947	3.4
131.08597	6.0
133.10135	23.1
135.08066	11.9
135.11714	27.1
137.05951	3.8
137.09607	17.4
143.08591	2.6
145.10115	6.5
147.04399	7.6
147.06853	2.6
147.08075	4.3
147.11708	3.8
149.09608	4.2
151.11194	4.7
153.09138	6.1
155.10687	3.6
157.10104	6.9
159.11723	5.3
161.09656	3.6
163.07507	5.9
165.09143	8.0
173.09756	3.8
173.13332	5.2
175.11163	5.0
175.14850	21.1
177.09195	3.6
181.08650	3.2
189.03983	5.8
189.12729	3.3
191.14270	4.1
192.99434	3.9
193.15903	28.6
203.10786	3.0
211.17003	11.6
213.04001	6.6
217.12305	3.0
217.15941	4.1
245.06351	5.6
245.11676	7.1
259.16974	4.2
267.35580	3.0
272.49094	3.2
277.18024	3.4
287.03836	10.0
289.05322	100.0
301.18002	8.8
319.19138	3.9
355.17377	5.5
368.81476	2.9
380.36545	3.0
397.18304	17.2
398.74451	2.7
405.18878	7.7
423.20096	6.6
441.17026	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	441.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58495	0.1
55.01859	0.2
67.01859	0.6
67.05473	0.2
68.99790	0.3
69.03423	0.3
70.06659	0.5
72.69235	0.1
79.05486	0.1
81.03413	0.3
81.07027	0.2
85.02917	0.9
87.00835	0.1
88.12008	0.1
91.05489	0.2
94.35371	0.1
95.08602	0.3
97.02863	0.2
99.04451	0.3
105.07047	0.2
107.08587	0.1
109.02888	0.3
119.08591	0.1
122.09655	0.2
123.04430	0.2
123.15826	0.1
125.05994	0.5
127.03902	0.7
133.10139	0.3
147.04411	0.7
151.03911	0.5
153.01804	0.4
169.05002	0.5
175.03877	0.1
193.04973	100.0
194.05305	1.8
204.07483	0.1
215.10645	0.1
224.19984	0.1
246.14906	0.4
261.14676	0.2
273.28561	0.1
277.45471	0.1
355.10245	0.4
390.96088	0.2
416.64282	0.2
441.10291	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1394
Annotation	Poliothyrsin
Peak:m/z	Relative Intensity
59.04997	0.7
62.01881	0.8
63.60463	0.7
69.03419	1.5
69.79041	0.8
70.25240	1.6
70.25631	1.3
72.53042	0.7
81.03424	1.0
85.02913	4.4
87.04446	1.2
91.05438	0.9
95.04970	9.8
97.02911	1.6
107.04996	1.7
109.02913	0.9
115.03943	7.9
117.07029	0.7
120.62183	0.7
121.02831	1.0
121.06561	1.0
123.04433	100.0
145.05048	0.7
145.06462	1.3
147.04428	4.8
156.36386	0.7
165.05484	47.9
169.06499	1.7
173.06017	2.2
191.07034	0.9
197.06006	1.5
215.07010	1.6
219.06589	2.1
243.06520	7.8
258.00751	0.8
261.07626	4.8
279.08655	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	441.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
54.11764	1.1
55.01852	1.6
55.05517	5.5
55.97920	1.0
57.03429	2.1
61.02929	1.8
67.05506	10.8
68.88625	0.9
68.99781	1.7
69.03428	10.0
69.07056	4.1
70.17315	4.1
71.05004	6.1
79.05489	2.9
81.03430	6.1
81.07057	9.8
83.01095	0.9
83.04984	4.7
83.08602	4.2
84.32287	1.1
85.02903	8.4
85.06531	2.3
87.00827	3.4
91.05490	4.9
93.07039	7.5
95.04959	4.3
95.08607	10.8
97.02866	6.2
97.06493	1.6
99.04445	2.8
99.08076	4.0
105.01877	1.4
105.07017	6.3
107.04957	1.4
107.08594	10.0
109.02867	5.4
109.06509	7.2
109.10159	30.9
111.04438	1.9
111.08040	1.2
117.06985	1.4
119.01965	1.2
119.08590	13.0
121.06474	3.0
121.10140	5.9
123.04470	1.5
123.08040	2.9
123.11685	2.1
125.09614	3.7
125.77281	1.1
126.15163	1.0
127.03905	9.2
129.01804	1.1
129.07014	1.1
131.08563	2.0
133.10138	9.1
135.08035	3.1
135.11688	16.6
137.09616	7.4
143.01839	1.7
143.08501	1.8
145.04980	2.1
145.10155	2.0
147.04483	2.1
147.08002	1.4
147.11655	2.4
148.04726	1.2
149.09599	2.0
149.13271	2.1
151.07527	2.0
153.09085	1.2
155.08586	1.2
155.10625	1.1
157.03448	1.4
159.11673	2.0
161.02959	1.3
161.09631	3.2
163.07602	1.6
165.09131	2.6
173.09622	1.4
173.13219	1.3
175.04587	1.4
175.11169	1.9
175.14842	9.1
177.09053	1.1
177.16341	1.7
179.14203	1.3
181.08524	1.4
185.04260	1.4
187.06120	1.0
187.14830	1.9
191.14195	1.3
193.08618	1.2
193.15860	11.2
203.05296	2.6
205.15836	1.7
211.16930	5.7
213.03940	4.4
217.16144	1.0
242.95094	1.1
245.06358	8.1
245.11719	1.9
271.03964	1.3
283.16992	1.2
287.03677	11.4
289.05298	100.0
290.05679	1.9
301.17877	1.8
303.86063	1.0
304.16339	1.0
319.19156	2.5
345.63159	1.4
349.12497	1.2
355.17416	2.0
367.13943	1.4
397.18329	14.3
423.20163	2.7
441.17200	70.2
441.30313	2.0
442.17734	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
55.01855	1.3
55.05521	3.5
56.05039	4.2
57.03428	0.6
57.07066	1.5
57.58453	0.3
60.04531	2.2
65.03949	0.6
67.05510	12.5
68.05019	0.7
69.03432	4.6
69.07067	3.2
70.06587	0.8
71.04996	3.0
71.08627	0.8
71.57275	0.6
73.03545	0.3
77.03942	0.6
79.05495	13.1
80.05012	3.3
81.03424	1.8
81.05806	2.5
81.07062	10.6
82.06129	0.6
82.06583	5.5
83.04977	0.8
83.08633	2.9
85.06535	1.4
86.06058	0.6
87.04465	2.7
91.05482	6.0
93.05785	0.7
93.07049	21.6
94.06573	19.6
95.04984	3.5
95.08611	20.5
96.08143	3.5
97.06535	4.4
97.10154	1.4
98.09695	0.5
103.05470	1.2
105.04515	0.8
105.07037	11.0
106.06572	0.7
107.07343	3.6
107.08539	0.6
108.08128	0.5
109.10268	0.3
110.09688	10.6
111.08086	13.6
111.11694	0.4
116.10729	0.7
120.08115	0.5
121.10129	0.4
122.09677	36.0
123.08076	26.0
128.10727	38.3
129.11043	0.4
140.10710	100.0
141.09123	8.8
141.10942	0.6
158.11783	8.5
214.17972	2.5
282.27933	1.2
300.28973	5.7
306.31787	0.4
342.26462	0.8
392.35245	1.3
404.35205	1.2
410.36316	4.3
422.36343	12.7
440.37476	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48703	1.2
56.96568	15.7
71.95255	1.4
73.87656	1.4
84.96049	6.9
98.91970	3.6
98.97586	100.0
110.97570	32.1
112.99102	2.0
116.98624	28.8
127.00693	1.7
128.98611	31.5
134.99669	5.0
135.86731	1.4
140.98595	11.6
143.00162	14.8
146.99702	7.0
152.98607	5.0
158.99672	37.6
161.01204	8.1
170.99663	32.7
176.93759	1.8
177.00711	26.4
180.97470	3.9
182.97252	1.7
182.99686	20.4
189.00737	26.4
195.01729	2.2
201.00716	56.3
207.01848	3.1
213.00771	3.7
218.94887	2.6
219.01778	46.2
231.01822	5.2
233.03471	2.0
237.02849	17.3
240.99670	1.4
243.01762	22.6
249.02737	1.8
261.02826	96.2
273.02765	8.6
278.97098	1.8
279.03876	56.3
291.03873	18.9
297.04913	3.3
297.08295	1.8
309.04858	2.2
315.00125	1.5
321.04932	39.0
333.04947	5.0
351.05927	6.2
365.10522	3.5
381.07184	3.6
399.07983	2.2
441.09070	19.4
441.14859	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3576
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.05503	10.3
55.12936	3.0
57.07069	4.8
59.04989	13.5
60.75141	2.8
67.05502	17.9
69.07076	15.6
79.05495	11.9
81.07067	45.2
83.08617	5.9
90.07269	2.9
91.05471	11.1
93.07063	26.3
95.04960	3.8
95.08617	45.0
97.06557	5.3
97.10179	4.4
101.06035	3.0
101.98170	2.9
105.07042	51.1
107.08604	31.6
109.10177	22.6
111.08083	4.0
117.07031	3.5
119.08574	28.4
121.10151	71.9
123.08064	5.9
123.11721	37.9
131.08572	10.7
133.10158	15.8
134.86148	3.4
135.11707	17.4
137.13280	5.7
139.11125	3.0
143.08580	3.5
145.10153	8.3
147.11714	43.3
149.02362	9.1
149.13272	16.5
151.14781	4.5
157.10098	5.8
159.11703	10.5
161.09593	4.5
161.13281	10.2
163.14841	6.8
165.12773	13.2
171.11679	6.1
173.13362	5.5
175.14882	7.3
177.16420	4.5
185.13162	4.1
187.14890	4.7
189.16396	19.7
191.18024	4.0
193.05045	4.1
194.05365	3.5
201.16469	8.7
203.17976	4.0
213.16454	4.4
213.19569	2.9
215.18019	6.4
217.15912	3.1
217.19431	4.1
227.18028	3.9
229.23607	5.1
238.07999	4.4
249.18646	4.1
363.30527	3.5
403.33426	4.5
421.34818	22.6
439.28958	13.2
439.35760	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3572
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.05507	3.5
57.07058	2.1
67.05509	5.1
67.77328	1.0
69.07063	8.4
69.33489	4.6
69.33896	2.0
71.08626	1.2
75.77356	0.7
79.05502	5.5
81.07059	13.3
83.08611	4.2
89.06026	1.3
91.05459	3.4
93.07055	8.8
95.04979	1.2
95.08614	21.7
97.06500	0.8
97.10162	3.7
105.07026	5.1
107.08598	16.9
109.06499	1.0
109.10165	14.0
109.10896	1.0
119.08579	4.4
121.06467	1.0
121.10144	14.6
123.08032	1.6
123.11702	3.7
131.08556	3.2
133.10135	5.0
135.08063	11.0
135.11694	18.1
137.13275	4.0
143.08615	1.7
145.10127	5.0
147.11707	4.1
149.09636	4.0
149.13274	8.0
157.10159	1.1
159.11702	1.7
161.09657	1.2
161.13275	1.2
163.07501	4.6
163.11191	0.7
163.14841	9.6
171.11726	1.7
173.09602	1.3
175.11157	1.3
175.14713	0.8
177.16371	2.2
185.13312	1.6
187.14816	1.7
189.16377	4.2
191.17955	100.0
201.16385	0.9
205.15886	6.7
215.14304	8.4
215.17963	1.4
217.15877	14.4
233.15369	35.6
240.15338	1.3
245.19063	0.9
249.18524	1.1
251.16425	5.8
261.18564	3.5
297.22171	0.8
303.23199	1.7
315.23068	1.4
341.28482	1.3
403.33420	1.1
421.34622	9.6
439.35745	46.5
440.36011	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3574
Annotation	13,28-Epoxy-11-oleanene-3-one
Peak:m/z	Relative Intensity
54.75630	0.4
55.05502	2.0
57.07077	1.8
59.91994	0.4
64.67298	0.4
67.05507	3.8
69.07077	6.4
69.47319	1.5
69.47749	1.6
69.69110	0.4
77.79280	0.4
78.19827	0.4
79.05502	2.1
81.07066	12.6
83.08637	2.3
89.06044	1.2
91.05482	1.4
93.07053	4.4
95.04963	0.6
95.08615	14.6
96.37330	0.4
97.10182	2.2
105.07033	2.9
107.08605	8.5
109.10167	6.9
109.10828	0.7
111.11721	0.5
119.08568	3.7
121.06496	0.6
121.10159	6.5
123.08101	0.8
123.11732	3.7
131.08563	1.3
133.08604	0.8
133.10132	3.6
135.08112	0.9
135.11707	5.7
136.81093	0.4
137.13309	1.4
139.11261	0.5
142.07813	0.9
143.08560	2.1
145.10172	2.1
147.11670	2.5
149.13263	3.8
151.14777	0.8
155.08546	0.6
156.09387	0.8
157.10147	4.3
159.08069	0.6
159.11696	4.6
161.13281	1.2
163.14824	1.9
165.12729	0.5
169.10199	1.1
170.10938	0.5
171.11737	3.7
173.09608	0.7
173.13245	2.6
175.11203	0.5
175.14886	1.0
177.12801	0.7
177.16432	0.8
183.11745	0.9
184.12421	0.5
185.09618	3.6
185.13254	3.7
187.11247	0.8
187.14830	2.1
189.16512	0.8
191.14360	0.5
191.17970	16.1
194.10980	0.4
195.11676	0.9
196.67343	0.4
197.13275	1.6
199.11182	3.6
199.14905	2.2
201.12822	0.7
201.16357	0.9
209.13354	0.9
211.14792	0.8
212.15730	0.5
213.12790	2.5
213.16403	1.6
215.17928	2.7
223.14804	0.6
225.16415	0.6
227.14342	2.0
227.17989	0.8
229.19534	1.4
231.17421	0.7
239.14952	0.7
240.15143	0.7
241.15883	0.7
241.19524	8.2
243.21107	1.0
245.19083	0.6
253.19724	0.5
255.17448	0.7
255.21165	2.4
257.19077	1.9
259.20493	0.6
265.19489	0.8
267.21216	0.6
269.22498	2.0
271.20642	1.4
279.20920	0.7
283.20602	10.2
283.23904	0.6
285.21997	0.8
297.22214	3.6
299.23785	0.6
311.23697	0.7
323.23764	0.8
337.25281	0.5
351.26764	1.6
379.33499	0.9
381.31604	0.4
393.35080	0.5
403.33856	1.2
421.34634	4.2
439.35751	100.0
440.36154	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	34.7
55.05514	26.4
55.26625	1.7
57.07084	27.9
61.02925	2.6
63.37247	1.5
67.05515	21.6
69.03408	1.8
69.07075	55.4
69.74100	1.6
71.08635	16.9
79.05493	10.6
81.07064	52.1
83.08135	3.1
83.08624	45.2
85.02928	3.8
85.10181	10.8
89.06033	4.5
90.06380	2.1
91.05485	9.5
93.07047	16.0
95.08614	59.9
97.02901	50.2
97.06516	2.0
97.10179	33.5
98.20701	3.9
104.02227	1.8
105.07041	14.1
107.08614	14.1
109.06537	2.9
109.10173	30.9
111.08064	3.6
111.11723	26.5
113.09695	3.5
115.03941	100.0
117.07021	3.8
119.08578	9.6
121.06529	3.3
121.10150	14.5
123.08092	5.1
123.11717	24.5
125.05926	2.8
125.09632	3.0
125.13268	10.9
131.08559	4.4
133.08624	3.4
133.10152	7.3
134.08929	2.1
135.08078	2.9
135.11694	9.0
137.09673	1.7
137.13263	14.6
139.07541	12.1
139.14850	5.4
145.10144	5.7
147.08032	3.4
147.11702	5.0
149.09648	3.2
149.13286	6.3
151.14847	7.2
153.09123	4.3
153.16444	2.8
157.10220	2.1
159.11749	3.4
161.13283	4.1
163.14745	3.1
165.09148	6.2
165.12656	2.1
165.16423	6.1
167.10689	5.6
168.05951	1.7
173.09558	1.6
173.13292	2.0
175.11343	2.2
175.14882	2.4
177.12733	1.9
177.16470	2.0
189.16472	3.7
191.17957	1.8
192.91252	1.6
198.51732	1.6
203.17989	3.0
205.19516	2.7
207.21140	1.9
219.17418	1.9
229.12000	2.0
239.14835	3.3
243.17461	3.0
267.34528	1.9
271.06497	2.0
289.17957	13.1
297.01331	1.9
307.02094	2.1
317.32156	2.3
333.15210	2.4
343.29965	5.8
361.31055	31.8
363.12527	5.3
403.32138	8.3
421.33249	17.5
422.35574	2.4
439.31247	5.6
439.35715	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	439.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	50.6
55.05523	33.5
57.07084	22.5
58.66759	4.3
59.91237	4.8
67.05508	31.8
68.40228	4.0
69.07079	64.6
69.78190	4.1
70.92533	8.7
71.04994	4.9
71.08620	12.8
74.63266	3.9
79.05503	15.3
81.07059	56.8
83.04997	4.8
83.08627	35.2
85.06544	7.0
91.05482	14.8
93.07076	26.6
95.08618	61.1
97.02898	51.4
97.06549	6.5
97.10169	18.8
105.07043	15.6
107.08595	19.4
109.06523	8.0
109.10166	25.7
111.08067	7.7
111.11741	11.9
115.03935	100.0
119.08595	17.1
121.06500	9.3
121.10132	16.8
123.08105	5.4
123.11720	17.7
131.08546	5.0
133.10159	9.4
135.08096	5.4
135.11720	13.9
137.13290	6.8
139.07558	12.4
143.08585	6.4
145.04834	4.5
145.10184	7.3
147.11723	10.5
149.09657	5.2
149.13206	6.5
157.04970	19.4
161.13264	9.2
163.14888	6.3
189.16371	4.8
212.16290	4.6
307.35696	4.1
310.76837	4.2
314.27213	4.0
323.05853	5.0
361.30777	5.6
408.79877	5.3
439.35666	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	439.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.7
55.01869	10.2
55.05259	3.4
55.05513	54.0
57.03449	1.8
57.07077	40.4
59.05004	15.9
61.02921	5.3
65.03937	3.8
67.05167	2.8
67.05505	37.2
69.07070	93.8
70.08017	4.4
70.08411	4.1
71.04992	3.4
71.08627	20.7
77.54343	1.8
79.05485	16.3
81.07059	87.4
83.04974	6.8
83.08620	70.8
84.84151	1.7
85.02905	3.9
85.06557	3.4
85.10197	9.7
87.03982	3.2
87.04474	33.4
88.37957	1.7
89.06039	6.4
91.05493	10.7
91.22439	1.6
93.07048	34.0
95.04965	7.6
95.08608	100.0
97.06557	12.0
97.10168	42.7
97.10770	3.0
98.09640	1.6
99.04469	1.7
99.08075	2.6
101.02384	25.6
105.07040	24.1
107.08594	38.6
109.06519	9.4
109.09457	3.4
109.10162	52.8
111.04445	8.2
111.08061	11.5
111.11729	27.2
113.06020	10.7
113.09618	2.1
113.23795	1.7
115.03940	2.6
119.08582	23.5
121.06553	3.4
121.10153	23.2
123.08069	15.8
123.11709	33.0
125.09650	5.8
125.13216	10.8
127.07561	7.3
131.08501	2.4
133.08627	2.2
133.10143	14.5
135.08008	3.3
135.11682	15.2
137.09647	8.9
137.13246	17.4
139.07561	9.0
139.11201	4.4
139.14793	3.3
141.09068	3.0
141.31683	1.7
145.10138	6.2
147.08086	3.8
147.11687	15.4
149.09633	3.9
149.13268	18.2
151.07672	1.8
151.11201	7.0
151.14781	10.3
153.09120	3.0
153.16327	2.0
159.11676	3.3
161.09717	1.9
161.13277	15.1
163.11203	2.6
163.14850	14.4
165.09116	2.9
165.12755	5.4
165.16435	4.5
167.14354	2.8
171.10204	2.0
173.13268	3.6
175.11160	2.3
175.14833	11.6
177.12749	2.5
177.16377	8.8
177.89850	1.7
179.10634	2.1
179.14296	4.1
179.17947	3.8
181.15903	2.7
189.12927	2.4
189.16437	5.9
191.17960	6.1
193.15962	2.1
193.19516	3.6
203.18022	5.2
205.19484	3.7
207.17421	2.5
207.21068	2.8
213.16495	2.4
217.15816	2.3
231.21062	4.9
239.14806	2.1
249.22169	3.5
263.27380	4.7
277.28931	2.1
287.27359	14.8
301.28918	5.6
305.28387	51.7
319.30035	7.3
343.29837	8.5
347.29443	5.8
361.31046	17.8
365.30621	9.1
379.07797	1.9
379.32031	32.1
397.33047	7.9
403.32516	2.3
421.32742	2.7
439.34262	42.1
440.34381	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.4
55.05522	11.0
57.01675	2.1
57.03434	6.5
57.07072	8.5
60.82870	2.1
61.02928	11.1
67.05505	22.6
69.03436	47.0
69.07072	6.5
70.84296	2.0
71.05006	5.0
71.08621	2.2
71.56458	3.7
73.02923	5.2
79.05494	8.6
80.38947	2.0
81.03412	16.4
81.07067	19.1
83.04968	6.0
83.08614	3.7
85.02909	47.2
85.06550	100.0
87.04472	3.8
91.03968	2.7
91.05495	12.2
93.07059	15.1
95.04961	4.5
95.08619	25.4
97.02901	25.3
97.06505	2.8
97.10165	2.4
99.04480	6.7
99.08102	85.6
99.08749	4.8
101.66149	2.1
105.07040	37.4
107.05007	2.6
107.08607	18.0
109.02870	6.5
109.06509	10.5
109.10177	19.5
110.07153	8.2
111.08086	3.0
117.07020	3.9
119.08587	53.1
121.06498	3.2
121.10155	32.7
123.08080	5.2
123.11696	11.2
125.09631	19.7
127.03983	11.7
128.06204	2.5
129.07025	3.8
131.08572	7.5
133.10144	22.2
135.11716	7.9
137.09627	10.7
139.11183	5.3
142.07755	2.8
143.08534	10.6
145.04955	4.1
145.10104	14.3
147.08061	3.4
147.11694	55.3
147.12788	4.3
149.09602	3.8
149.13251	2.6
151.07587	2.9
151.11203	4.0
156.07671	4.2
157.10127	11.2
159.11707	11.6
161.09651	4.0
161.13297	9.4
165.12746	6.6
169.10161	2.9
170.10947	3.5
171.11755	12.6
173.13336	7.3
175.11098	3.0
175.14841	6.1
177.12688	4.4
179.14316	7.3
184.12375	3.2
185.13318	21.2
189.12776	4.8
191.14371	2.9
193.81854	2.2
199.14847	18.1
201.16382	21.8
203.14365	9.0
241.19502	15.4
259.20609	65.8
277.21707	11.9
315.13324	6.8
320.87888	2.2
384.91968	2.2
407.60175	2.3
439.22125	5.8
439.27182	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23838	1.5
52.02106	1.6
53.03949	3.0
55.01865	4.0
55.05509	8.7
57.03437	6.1
57.07085	12.2
59.04999	12.1
61.02921	5.0
62.48512	1.6
67.05507	26.0
69.03437	23.6
69.07076	9.9
69.36676	12.6
71.01345	1.7
71.04993	3.8
72.32154	1.7
73.02916	2.0
79.05494	6.1
81.03432	8.6
81.07059	19.5
83.04984	5.1
83.08633	3.2
84.08142	2.8
85.02910	31.5
85.06545	100.0
87.00835	1.9
87.04469	3.9
91.05478	8.6
93.07053	11.5
95.04964	5.3
95.08613	22.3
97.02892	15.7
97.10173	2.5
98.20737	3.4
99.04449	3.4
99.08100	86.1
99.73718	1.5
105.07030	19.4
107.08582	12.1
109.02843	4.3
109.06515	9.9
109.10164	27.9
113.09683	3.3
115.05492	1.9
117.07004	3.0
119.08572	21.7
121.06503	2.3
121.10156	24.5
123.04427	1.7
123.08087	6.1
123.11715	3.9
125.09621	10.2
127.03906	9.8
131.08586	7.4
131.17081	1.7
133.10150	12.4
135.08023	5.3
135.11711	3.4
136.07504	1.8
137.09607	2.9
139.11137	3.0
143.08577	6.1
145.04935	4.6
145.10107	10.8
147.04433	2.7
147.08075	2.0
147.11697	20.9
149.09663	4.0
149.13255	3.3
151.07523	3.6
151.11230	4.8
156.09315	2.3
156.14621	2.4
157.10143	7.8
159.11707	7.3
161.09578	4.7
161.13240	4.7
163.11166	3.0
165.12761	11.0
171.11624	8.3
173.09799	1.8
173.13252	7.8
175.11156	3.5
175.14885	3.9
177.09093	1.8
177.12727	1.9
179.14247	9.0
184.12592	1.6
185.13336	8.0
189.09070	1.9
189.12741	3.7
190.17204	1.6
191.07051	2.2
191.14317	13.0
191.16023	2.8
193.86705	1.9
197.13312	2.4
199.14804	6.8
201.16458	11.2
203.14308	4.2
209.15294	2.9
217.15895	3.0
223.11041	1.6
241.19543	7.3
251.74287	2.2
255.55338	1.7
259.20587	59.3
276.87131	1.7
277.21603	10.9
313.09207	4.2
421.18399	2.2
439.26880	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	439.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.2
55.05509	7.3
56.69022	1.8
57.03436	4.5
57.07070	6.4
61.02925	7.3
65.90202	1.8
67.05505	19.7
69.03124	2.2
69.03437	21.2
69.07056	7.9
69.87678	11.5
71.04994	3.1
73.02911	3.1
79.05497	5.6
81.03400	9.3
81.06642	1.9
81.07045	12.1
83.08638	3.2
85.02914	31.6
85.06547	100.0
86.09699	4.7
87.04443	2.7
91.05486	7.4
93.07066	9.6
95.04977	6.0
95.08608	16.1
97.02913	13.9
97.06527	3.5
97.10154	2.3
99.04456	2.6
99.08098	90.9
99.08754	4.5
105.07045	16.4
107.08607	11.0
109.02837	4.7
109.06518	6.0
109.10164	20.1
111.08110	3.6
113.09615	4.2
115.03953	2.5
117.06992	4.7
119.08588	18.8
121.06445	2.6
121.10154	18.0
123.08084	5.5
123.11743	2.9
125.09621	8.1
127.03906	8.7
131.08572	3.9
133.10126	12.8
135.08047	4.4
135.11691	2.7
137.09608	3.1
137.13271	2.7
139.11197	2.9
143.08522	4.1
145.04938	4.0
145.10175	10.7
147.08089	2.0
147.11705	14.9
149.09561	2.4
151.07529	4.0
151.11160	2.5
157.10106	5.8
159.11682	7.0
161.09532	3.9
161.13257	3.6
163.11156	2.8
165.12785	9.4
167.06944	2.2
171.11674	6.6
173.13312	2.3
175.11172	3.3
175.14879	4.5
179.14290	9.2
185.13286	6.5
199.14861	6.8
201.16373	9.8
203.14375	5.8
205.20444	2.0
221.11513	16.4
241.19510	4.6
259.20566	52.3
277.21646	11.2
370.97632	2.0
393.22485	5.5
397.57834	2.0
421.21902	8.2
439.17587	3.0
439.22699	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.3
55.05515	9.4
57.03444	8.6
57.07071	1.3
67.05166	1.2
67.05511	18.2
68.99788	2.2
69.07079	7.4
69.75664	4.9
71.04994	1.2
74.67379	0.7
75.04457	1.0
76.56161	0.8
79.05489	4.6
80.89551	0.8
81.03436	1.7
81.07066	16.0
83.04959	0.9
83.08625	7.6
85.06544	1.6
91.05489	4.4
93.07050	6.7
95.04971	1.5
95.08614	27.9
97.06532	2.9
97.10174	5.8
99.04465	1.1
99.08090	0.9
103.03956	4.6
105.07017	4.0
107.08598	3.8
109.02898	2.0
109.10168	16.6
111.00799	2.8
111.08088	2.4
111.11710	0.9
117.05516	1.2
119.08586	5.2
121.06540	0.9
121.10153	3.7
123.08069	1.0
123.11713	2.7
125.09636	1.4
127.03926	100.0
127.11169	0.9
127.92864	0.7
129.06950	0.9
131.08598	1.4
133.10123	4.0
135.08005	1.1
135.11700	2.3
137.09618	1.9
138.59923	0.7
143.08572	0.9
145.10201	1.3
147.11745	2.1
149.02365	1.2
149.13232	1.6
151.11177	1.1
151.14833	1.3
151.76364	0.7
155.10635	0.7
159.11707	0.9
161.13293	1.8
163.11230	1.0
165.09145	0.9
167.16922	0.9
175.14819	9.8
185.13400	0.8
193.15910	5.2
211.13348	1.0
211.17001	2.6
221.15366	1.3
229.17924	1.0
295.19058	1.6
337.20090	33.0
338.20233	1.1
347.18524	2.0
439.23779	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
55.05519	9.2
57.03439	9.2
57.07068	1.1
67.05170	1.2
67.05509	19.3
68.99781	2.6
69.03424	1.2
69.07074	6.1
70.78385	1.2
71.04987	1.8
75.04507	0.9
78.93933	0.6
79.05501	4.8
81.03423	3.7
81.07060	17.1
83.04991	1.5
83.08630	8.7
85.02914	1.6
85.06534	1.7
91.05473	6.4
93.07057	6.8
95.04988	1.5
95.08614	28.2
97.02899	0.7
97.06519	1.7
97.10147	5.1
99.04496	0.9
99.08076	1.0
103.03967	5.0
104.24688	0.8
105.07048	5.5
107.08598	4.3
109.02883	2.5
109.10167	15.2
111.00814	2.3
111.04440	1.1
111.08070	2.3
111.11741	1.2
114.35250	0.7
117.07006	1.6
119.08586	7.1
119.97226	0.7
121.10160	3.2
123.08081	1.1
123.11710	2.6
125.09633	1.7
127.03925	100.0
128.04236	1.2
131.08609	1.5
133.10141	5.1
135.08069	1.3
135.11726	2.6
137.09663	1.8
139.03963	1.5
139.11162	1.2
140.02940	0.7
145.10118	2.1
147.04425	1.6
147.11684	3.2
149.13275	1.2
151.11214	0.9
151.14783	1.6
155.10745	0.9
159.11635	1.1
161.13298	1.8
163.11185	0.7
165.09111	1.0
169.10138	0.8
175.14815	9.4
185.13275	1.2
193.12253	1.3
193.15880	5.2
197.13145	0.9
211.13342	1.6
211.16934	1.7
221.15433	1.8
229.18007	1.2
235.04744	0.9
295.19229	1.1
337.20102	34.6
347.18463	2.7
361.00436	0.8
439.27774	1.6
439.35767	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02588	2.7
53.03941	3.6
55.01877	2.9
55.05497	8.3
61.02925	3.6
65.05172	2.5
67.05508	28.2
69.03107	2.8
69.03433	25.6
69.07048	10.3
71.04977	8.8
71.08256	6.7
73.80273	2.8
79.05470	9.7
81.03419	46.3
81.07056	13.9
83.04977	9.4
83.08611	11.7
85.02906	18.9
85.06539	7.9
87.00816	5.4
91.05466	11.9
93.07061	14.0
95.04979	29.2
95.08612	16.3
97.02882	13.7
97.06517	11.5
99.04443	11.3
99.08062	4.0
105.07036	21.4
107.04939	4.9
107.08592	26.3
109.02906	19.1
109.06511	19.2
109.10161	100.0
111.04430	8.3
111.08031	2.8
115.03937	5.5
115.05391	2.8
115.07585	13.6
117.06999	6.6
119.08558	12.6
121.06517	5.6
121.10130	18.9
123.04436	7.7
123.08035	7.4
123.11735	3.0
125.05978	4.5
125.09619	9.9
127.03941	19.4
129.01855	3.3
129.06985	2.9
131.08560	15.0
133.06464	7.2
133.10136	33.7
135.08083	18.0
135.11678	3.7
137.05980	6.8
137.09608	3.2
139.11183	7.0
143.08546	7.8
145.06494	4.3
145.10086	8.6
147.08012	7.7
147.11674	6.2
149.09610	12.8
149.13194	4.3
151.07515	10.1
151.11067	4.1
157.10193	4.1
159.08047	6.2
159.11765	3.1
161.05974	17.9
161.09673	3.1
163.07552	8.6
163.14816	4.1
165.09119	2.8
165.12776	7.4
169.10100	3.1
171.11699	2.8
173.09593	13.3
173.13260	18.5
175.07491	3.3
175.11238	3.8
177.09125	21.5
183.08000	3.1
187.11122	3.8
189.12727	5.3
191.07014	7.7
191.10648	6.2
191.14279	28.4
199.11191	4.1
201.09131	15.8
209.15331	8.1
213.03931	4.7
213.12616	3.5
217.12163	3.9
219.10202	31.7
221.11720	9.5
226.15689	3.1
231.13799	3.2
233.15401	3.8
257.15216	3.0
259.13266	8.7
277.14377	17.4
299.16385	6.3
313.09137	9.5
317.17441	4.6
335.18466	4.8
344.39874	3.4
346.64816	2.7
403.17496	3.7
421.18600	20.3
439.19528	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	7.8
53.32605	2.8
55.01876	5.8
55.05508	8.7
56.90762	3.4
57.03432	4.2
61.02920	4.1
66.41639	4.1
67.05513	15.5
68.99791	3.8
69.03436	31.6
69.07082	6.5
71.04993	8.2
73.02914	5.8
77.03976	3.1
79.05494	13.5
81.03439	23.5
81.07070	29.1
83.08613	3.5
85.02912	52.3
85.06549	10.4
87.00835	14.8
91.05482	23.7
93.07058	19.2
95.04981	15.7
95.08598	18.8
97.02906	20.5
97.06543	10.4
97.59505	3.4
98.20783	8.2
99.04465	10.8
99.08073	5.7
103.03949	5.4
105.01884	11.0
105.07044	42.6
107.04974	3.6
107.08588	18.8
109.02879	17.3
109.06535	11.0
109.10168	15.5
111.04472	7.4
115.03910	6.9
117.07063	8.7
119.08587	35.7
121.06494	8.6
121.10130	15.1
122.09680	9.9
123.08105	6.9
127.03922	27.6
128.06140	3.6
129.01817	3.2
129.07014	6.7
131.08578	48.7
133.06384	3.8
133.10136	52.3
135.08037	7.9
135.11713	5.8
137.13277	3.8
140.49919	2.9
141.06946	6.1
142.07880	5.3
143.08594	15.6
144.09390	6.5
145.05016	6.9
145.06183	11.6
145.10155	33.5
145.72864	3.0
147.08102	7.2
147.11679	19.4
149.09593	7.2
155.08603	6.4
156.09381	8.7
157.10185	16.1
157.12215	6.5
158.10912	7.4
159.02921	7.4
159.11736	14.1
161.09541	5.8
163.11191	4.6
163.14784	3.9
164.05266	17.6
166.06830	4.3
169.10149	7.4
171.07996	4.4
171.11700	19.5
173.09698	4.3
173.13287	100.0
175.11279	7.6
175.14880	13.3
177.12740	5.7
183.11638	3.4
185.13245	12.1
187.11189	5.7
189.12804	11.2
191.14334	40.6
197.09648	4.0
197.13167	4.5
203.14316	6.8
210.14909	4.4
215.14337	5.8
221.13379	4.8
233.15443	4.7
239.14403	5.3
257.15475	6.0
277.14523	5.5
281.15381	10.1
299.16501	4.8
317.17468	4.6
332.94321	3.3
381.15347	14.7
394.74548	4.5
403.17343	7.0
404.26248	3.6
421.18674	8.3
439.10458	3.8
439.20245	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	439.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.1
54.45059	2.1
55.01875	6.7
55.05506	8.0
57.03442	2.7
57.07074	2.3
59.04978	2.9
61.02904	2.1
67.05507	34.0
68.99798	3.7
69.03434	25.0
69.07061	10.8
70.06603	3.2
71.04990	8.8
71.56464	2.6
79.05495	9.3
81.03418	44.8
81.03859	4.0
81.07064	15.7
82.03699	2.0
83.04980	6.9
83.08623	11.5
85.02912	20.4
85.06544	7.0
87.00835	8.3
91.05476	13.5
93.07059	17.6
95.04970	33.6
95.08626	16.2
95.17558	2.1
97.02896	18.4
97.06542	18.7
99.04459	14.6
99.08096	5.0
99.43663	2.0
105.01880	4.7
105.07033	22.1
107.04967	6.4
107.08600	26.2
109.02909	14.1
109.06534	27.6
109.10158	100.0
111.04427	6.2
111.08098	3.6
113.09663	2.7
115.03933	4.4
115.05440	2.5
115.07570	17.7
117.05776	3.3
117.07007	7.9
119.08585	14.4
120.08153	3.3
121.06520	10.0
121.10138	18.6
123.04422	7.9
123.08049	5.6
123.11727	3.6
125.05994	4.8
125.09644	9.6
127.03925	21.3
129.01782	2.1
129.07011	4.6
130.07780	2.5
131.04955	3.6
131.08572	18.6
132.08109	8.1
133.06488	9.3
133.10129	33.9
135.04442	2.7
135.08064	18.3
135.11736	3.0
137.02400	3.3
137.05974	6.5
139.11195	6.3
141.07047	2.2
143.08554	2.5
145.06488	5.0
145.09145	2.0
145.10077	11.1
147.08057	4.1
147.11702	6.1
149.05972	3.5
149.09604	12.7
149.13272	3.6
151.07558	13.6
151.11165	5.4
153.09163	4.9
157.06500	3.3
157.10188	2.7
158.10881	3.2
159.08083	9.4
159.11696	2.9
161.05995	22.2
161.09688	3.5
163.03850	2.4
163.07564	9.5
163.11209	7.8
163.14832	5.2
165.09071	3.1
165.12773	5.1
167.10806	3.0
171.08110	2.1
171.11684	4.1
173.06038	2.0
173.09618	9.8
173.13258	18.5
174.07780	2.0
175.07539	3.3
175.11188	2.5
177.09111	16.5
179.10667	7.3
183.08098	2.3
185.09602	2.4
189.12807	3.7
191.07028	9.9
191.10670	5.7
191.14316	34.5
199.11217	6.3
201.09116	18.0
203.14322	3.3
209.11789	3.0
209.15382	8.2
210.73532	2.1
213.03951	4.7
213.12700	3.0
215.10555	2.4
215.14214	3.2
217.12201	5.1
219.10159	29.9
221.11731	12.9
223.11111	2.0
233.15417	6.5
235.13307	2.3
236.37904	2.0
239.14403	2.6
241.12085	5.3
257.15472	3.0
259.13232	9.6
277.14362	18.5
281.15494	2.3
295.08221	3.2
299.16461	3.9
313.09216	7.2
317.17496	4.6
335.18658	4.7
403.17310	4.0
421.05655	2.4
421.18564	15.1
439.06882	3.4
439.19922	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99897	4.5
53.03938	11.9
55.01872	21.8
55.05507	15.0
57.03431	11.6
57.07066	22.7
61.02921	15.1
67.05509	14.7
68.99787	17.4
69.03434	93.6
69.07075	33.8
70.17077	14.8
71.04985	13.1
79.05493	23.9
81.03430	37.8
81.07068	31.3
83.04999	10.4
83.08609	15.3
85.02911	69.8
85.06536	7.5
87.00851	26.5
91.05494	30.9
93.07056	30.8
95.04968	22.7
95.08621	36.4
97.02907	25.9
97.06537	17.7
99.04451	18.2
99.08100	7.1
105.01891	14.0
105.07029	35.9
107.04916	6.3
107.08596	44.3
109.02899	24.4
109.06506	19.0
109.10161	29.2
111.04470	6.0
111.08082	11.1
112.60350	4.6
113.02338	7.2
117.07007	9.5
119.04952	7.5
119.08602	34.1
121.06484	14.2
121.10163	31.9
123.04447	10.7
123.08051	18.3
123.11720	7.2
124.82393	4.9
125.09611	8.8
127.03926	48.9
128.04178	5.8
129.01842	16.8
131.08559	23.2
133.06442	7.6
133.10143	32.7
135.08055	23.1
135.11646	14.1
137.05994	14.5
137.09610	28.0
137.13251	15.5
138.13606	15.4
145.04939	9.0
145.10072	18.7
147.02902	9.6
147.08083	8.0
147.11707	42.2
149.09593	14.4
149.13284	16.9
153.09149	5.9
155.08524	8.4
155.14320	89.5
156.14665	80.9
157.10156	8.8
159.02863	10.4
159.08051	7.6
159.11684	20.9
161.05968	5.9
161.09636	11.0
161.13260	13.3
163.07614	5.8
163.11226	18.4
163.14816	15.5
165.12729	5.1
171.11777	10.2
173.09627	7.1
173.13258	38.5
173.15399	21.0
174.15656	22.7
175.11172	13.3
175.14787	7.1
177.12750	15.3
179.07062	8.1
183.11743	6.6
185.09613	5.8
187.11220	9.2
189.12767	16.2
191.14345	100.0
193.12581	4.8
193.15816	7.1
203.14468	11.2
207.13818	7.4
209.15407	14.0
215.14336	11.1
217.15878	5.7
231.04912	5.5
231.13860	8.3
233.15379	24.2
238.49825	4.7
245.15446	7.8
253.15819	7.5
257.15344	10.7
265.21689	5.5
275.16394	6.8
299.16440	13.4
317.17535	6.7
353.10605	5.4
353.19562	20.6
421.18661	22.0
439.10101	6.7
439.19287	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
55.01865	3.1
55.05507	7.6
57.03431	2.7
57.07069	5.8
58.74676	1.7
59.04985	2.3
61.02909	6.8
67.05501	1.6
69.02921	1.4
69.03091	1.4
69.03415	10.5
69.07072	3.2
71.04985	3.4
71.08630	10.3
71.52374	2.1
73.02944	1.6
73.06559	36.0
78.76001	1.5
81.03432	9.6
81.07056	10.7
83.08610	8.7
85.02911	28.0
85.06544	4.4
87.00839	12.6
91.72958	1.8
91.93479	1.5
95.08608	15.8
97.02914	10.5
97.10167	10.7
99.04479	2.9
99.08110	2.2
105.01851	9.7
109.02885	8.6
109.10147	2.2
110.07182	1.6
111.11734	2.1
127.03926	15.3
128.37152	1.6
134.10138	1.4
137.13268	39.6
143.21283	1.4
145.04944	5.5
155.08606	2.6
155.14316	100.0
159.02919	5.1
173.15392	52.4
224.83412	1.4
231.04968	2.6
254.96854	1.8
438.20285	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	439.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.6
55.01871	23.9
55.05506	15.6
57.03413	12.5
57.07067	13.5
61.02918	19.0
61.17485	4.0
67.05496	20.7
68.99786	18.8
69.03078	7.6
69.03432	91.4
69.07075	34.2
69.76076	4.6
71.04980	11.8
71.57065	7.0
73.02904	6.7
79.05486	19.6
81.03413	39.0
81.07058	26.1
83.04981	11.8
83.08614	13.5
85.02910	62.6
85.06531	12.3
85.08492	4.7
86.03214	4.2
87.00829	27.8
91.05491	26.8
93.07061	31.5
95.04983	21.5
95.08627	39.2
97.02900	24.8
97.06535	15.8
98.03226	4.9
99.04438	8.4
99.08089	6.4
103.03905	5.7
105.01847	12.8
105.07043	26.2
107.04941	12.0
107.08603	48.9
109.02885	26.7
109.06514	12.3
109.10155	31.5
111.04459	10.9
111.08050	5.6
117.01867	4.8
117.07011	11.1
119.04957	7.6
119.08578	33.8
121.06524	20.6
121.10151	47.2
122.09698	5.9
123.04419	10.0
123.08065	15.7
123.11697	9.0
125.09611	11.6
127.03924	55.7
129.01831	14.8
129.07010	9.8
131.08578	19.1
133.06516	10.0
133.10152	35.1
135.08075	25.3
135.11678	20.0
137.05965	8.1
137.09628	34.1
137.13249	10.6
138.13583	11.1
139.11044	4.6
143.08543	10.4
145.05054	4.8
145.06509	6.5
145.10118	18.7
145.11153	5.1
147.02892	7.5
147.08078	7.2
147.11702	38.9
149.09618	10.8
149.13258	17.4
155.08563	6.9
155.14308	60.1
156.14667	67.1
157.10133	9.9
159.08073	10.4
159.11696	14.4
161.05966	9.3
161.09630	10.4
161.13232	13.2
163.07498	6.3
163.11191	15.2
163.14812	14.8
165.12720	7.2
169.10092	6.0
171.11668	7.6
173.09602	12.2
173.13225	31.2
173.15370	18.1
174.15718	15.3
175.07478	5.2
175.11285	6.2
175.14836	9.3
177.12749	13.2
179.07092	6.1
185.09686	8.4
187.11205	7.0
187.14806	5.9
189.12772	23.7
191.14326	100.0
192.14954	4.7
193.15909	7.1
201.12880	4.4
203.14360	15.6
209.15363	10.9
211.11125	5.6
211.14793	6.5
213.12581	5.0
215.14351	13.3
225.99466	5.0
231.04990	9.4
231.13812	10.3
232.05231	5.4
233.15369	21.5
245.15237	7.9
257.15295	9.6
271.17014	5.8
275.16382	10.8
299.16437	20.9
317.17368	7.8
329.06467	4.9
353.19519	18.4
421.18689	13.1
439.19287	60.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.8
55.01874	1.5
55.05504	2.2
57.03436	1.5
57.07082	16.2
59.05008	3.8
61.02938	1.4
66.80454	0.6
67.05498	1.7
68.99811	1.0
69.03431	6.3
69.07078	4.4
69.60181	3.6
71.04984	1.9
73.02921	1.3
73.06544	0.8
81.03424	5.7
81.07057	6.4
83.08617	1.4
84.08156	1.2
85.02417	1.2
85.02913	16.2
85.06548	1.8
87.00840	8.5
93.07069	0.7
95.04952	0.6
95.08617	6.3
97.02897	4.8
97.10184	3.7
99.04477	3.2
101.42514	0.7
105.01864	5.7
105.07046	1.6
106.07405	0.6
107.08627	1.1
108.04466	0.7
109.02904	5.7
109.10170	1.1
111.11723	1.9
119.08551	0.9
122.09694	0.7
124.15229	0.7
127.03936	8.9
129.01866	0.8
132.25337	0.7
137.13263	21.4
145.04987	2.6
145.10205	0.9
155.14319	100.0
156.14578	0.9
159.02910	2.0
173.15396	25.6
191.14435	0.8
199.83766	0.7
231.05090	2.4
438.20288	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	437.3263
Annotation	Certonardosterol B3
Peak:m/z	Relative Intensity
55.01867	4.3
55.05503	17.6
57.07068	13.0
65.03937	6.8
67.05507	57.9
69.07071	37.5
71.04993	10.7
71.08652	7.0
71.57383	6.0
74.27887	4.0
79.05492	15.2
81.03432	4.8
81.07054	34.5
83.08614	13.1
84.43298	4.0
85.10193	6.5
86.28857	3.9
89.06042	14.6
91.05489	6.7
93.07043	17.0
95.04976	18.7
95.08623	38.6
97.10181	13.9
99.04462	9.6
105.07052	11.8
107.04954	8.6
107.08597	18.0
109.06528	9.2
109.10155	21.0
111.11704	6.3
113.06014	5.5
119.08576	18.4
121.06525	5.3
121.10166	13.4
123.04449	70.7
123.08073	6.3
123.11689	11.6
125.06008	45.2
131.08569	5.9
133.08609	7.3
133.10149	13.0
135.11739	9.6
136.05913	4.3
136.43245	3.8
137.09621	6.4
137.13268	6.5
139.07588	22.3
140.07980	4.1
141.05479	100.0
145.10121	8.7
147.11641	6.2
149.09569	8.8
149.13264	9.6
151.07520	5.9
159.11670	5.7
161.09547	4.9
165.09076	6.3
165.12704	5.2
167.10695	5.0
173.13275	6.1
239.14792	8.7
355.29987	4.5
359.29492	9.2
373.31055	65.8
391.32010	16.7
401.30249	56.7
416.02588	4.5
419.31009	61.5
431.62054	4.3
437.32468	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.9
55.01864	1.8
55.05511	2.9
57.03444	1.2
57.07077	15.1
58.80935	0.7
59.04994	4.2
59.96214	0.6
60.93518	0.7
61.02927	1.5
67.05496	1.6
68.99783	1.1
69.03437	8.1
69.07065	4.1
71.04987	1.3
71.08707	1.5
72.50051	0.7
73.02912	1.4
76.91393	0.7
81.03427	5.6
81.07065	6.4
83.08612	2.5
83.91022	0.7
84.08155	1.1
85.02915	16.8
85.06541	1.7
87.00832	7.0
88.81208	0.7
93.07056	0.7
95.08617	8.4
97.02901	5.7
97.10194	3.4
99.04434	2.0
105.01884	5.3
109.02892	3.8
109.10179	1.3
111.11713	1.7
117.01864	0.8
119.08617	0.8
122.09656	1.5
127.03927	7.7
129.01799	1.1
137.13263	22.9
145.04971	2.6
155.14313	100.0
156.14642	1.3
159.02937	2.8
173.15387	30.2
228.14941	0.7
231.05087	1.6
237.39160	0.9
270.61871	0.8
402.24130	0.8
438.20154	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	14.0
55.01862	16.3
55.05522	27.2
57.03433	5.4
65.03928	6.6
67.05505	54.6
68.05811	3.2
68.99770	4.7
69.03424	10.1
69.07063	34.5
69.83408	17.1
71.04974	5.5
71.08581	4.5
79.05489	36.8
81.03417	38.6
81.07057	72.3
83.04976	12.8
83.08608	12.0
83.87020	3.0
85.02910	24.1
91.05480	62.0
93.07053	43.3
95.01332	12.3
95.04969	8.4
95.08056	3.7
95.08611	43.1
97.02869	10.0
97.06543	33.7
97.10145	5.1
98.21558	4.3
105.07034	90.0
107.04977	17.4
107.08595	25.1
109.02885	14.8
109.06534	6.4
109.10139	16.5
117.07005	19.2
119.08578	51.1
121.06506	7.0
121.10133	15.5
123.04454	3.5
123.08097	3.6
127.03921	51.1
128.06195	4.2
129.06979	4.9
131.08595	27.5
131.09454	5.4
133.10129	58.7
135.08006	5.2
135.11676	12.6
137.09535	4.6
143.08548	8.0
145.06473	4.8
145.10139	20.6
147.11659	22.0
149.02353	15.3
149.09662	7.0
149.13252	5.9
151.11153	4.2
155.08557	5.4
157.10104	7.4
159.11673	14.5
161.09680	4.2
161.13251	8.6
163.11226	5.6
165.09077	6.2
171.11697	4.2
173.11760	4.3
173.13199	7.8
177.12833	4.8
179.14281	15.4
193.04945	18.6
197.13287	5.7
247.20815	5.3
247.55714	3.5
257.19101	6.6
275.20068	100.0
293.21094	8.1
301.39090	3.6
315.24533	3.8
321.20676	8.3
349.65973	3.6
363.21548	13.8
396.95358	3.9
419.24106	7.9
437.25366	6.8
437.28476	3.3
437.33978	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	437.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.0
65.03924	0.9
67.05503	2.8
68.87086	0.6
69.07042	0.5
69.22955	1.5
69.23363	4.2
79.05514	0.6
81.07043	1.8
89.02914	0.7
91.05486	12.4
93.07024	0.9
95.08601	1.4
105.07059	0.9
107.08598	0.8
109.10183	0.8
119.04092	1.3
119.04953	25.8
121.10161	0.9
145.10150	0.6
147.04424	100.0
148.04739	1.5
159.11687	0.6
207.06435	0.6
221.08044	0.6
227.91870	0.6
251.46088	0.7
297.09970	0.6
419.24152	4.3
445.38300	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	6.4
54.11872	3.5
55.01872	5.2
55.05518	29.4
57.03432	7.5
61.02923	7.1
63.55133	3.2
67.05476	5.6
69.03435	28.9
69.22347	32.0
70.42570	3.6
71.04987	12.8
79.05482	4.2
79.86050	3.3
81.03404	18.2
81.07059	52.4
83.08625	98.1
84.18204	3.5
85.02909	100.0
85.06561	6.0
87.00830	50.0
91.05473	8.2
93.07059	29.3
95.04960	4.6
95.08622	13.2
97.02900	41.9
99.04447	13.3
105.01875	97.6
105.07038	6.2
107.08622	22.3
109.02884	27.5
115.03938	8.2
125.26900	3.7
127.03921	70.2
135.11700	23.5
137.13249	13.7
145.04982	34.1
159.02908	11.9
162.51549	3.8
167.91286	4.1
231.04929	19.6
249.06134	20.4
265.59573	3.9
304.05664	5.3
424.27692	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	437.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.1
69.03454	2.5
71.35999	3.4
81.03432	11.5
93.03459	1.9
95.01334	100.0
115.05445	2.7
123.04460	20.2
125.56712	1.8
128.06265	2.0
131.04881	2.4
135.04399	1.9
137.02362	14.0
147.04442	9.5
149.02301	2.8
153.06989	4.2
155.04898	2.1
159.04417	2.5
165.01917	2.2
165.06992	13.0
169.06462	2.7
171.04337	2.3
181.06557	8.7
187.03940	16.5
189.05478	14.5
191.04895	2.1
193.06444	9.9
197.05939	5.4
199.07617	1.7
205.06546	6.9
209.05988	6.3
211.07536	3.8
213.05479	6.6
215.03438	12.7
215.08537	4.3
219.04434	3.3
219.08118	3.5
221.05981	22.4
223.07535	5.2
225.05504	3.6
226.07765	3.2
227.06824	3.6
227.08810	3.4
233.06085	3.0
237.05460	15.6
239.07010	10.3
243.06252	3.1
243.08328	2.6
246.14024	1.9
247.03775	3.3
247.07608	7.3
249.05542	16.1
250.06064	3.9
251.07059	10.8
253.04959	8.3
255.06258	18.8
259.07535	3.3
261.09164	3.3
263.07117	3.6
265.04953	8.8
267.06555	7.3
271.07556	7.6
273.09180	4.8
275.07016	3.1
277.05020	8.0
279.06528	18.0
281.04285	9.4
283.05917	19.1
287.07050	6.0
289.08551	6.1
295.06000	26.9
297.03934	4.6
297.07626	10.0
299.07272	10.0
301.08646	7.3
303.06546	9.2
304.07343	2.0
305.04428	4.5
306.08453	2.3
307.06027	4.9
307.09540	2.0
309.03726	2.5
311.06943	1.9
315.06384	2.3
317.08096	6.3
319.06097	3.4
319.09567	2.3
321.07489	7.5
323.05515	68.6
324.06143	2.3
325.07022	2.5
327.06281	6.4
329.08127	12.9
331.05969	6.1
332.06796	6.8
333.07504	4.2
335.09265	4.8
345.07590	22.2
346.08334	3.4
347.09085	11.2
349.07016	4.9
351.05084	2.8
355.05908	4.0
359.05292	4.0
363.08630	19.5
365.10202	11.1
373.07104	17.2
375.08606	3.5
377.06461	7.2
391.08200	26.9
393.09695	7.7
419.07559	5.5
437.08969	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	436.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
55.05511	3.5
57.03453	1.2
59.05009	1.6
67.49088	1.3
68.24915	1.0
69.03427	4.1
69.07065	1.3
70.61998	3.3
71.04997	9.7
73.06562	3.6
79.05469	3.2
81.03412	3.7
81.07059	19.7
83.08595	1.8
85.02903	6.0
87.00820	4.5
91.05488	2.4
91.41464	1.1
93.07053	12.4
95.08606	6.2
97.02891	3.7
97.06535	1.5
99.04494	1.4
100.11239	2.5
105.01884	5.2
105.07039	1.5
107.08610	9.7
109.02934	2.0
109.10157	2.7
119.08562	2.1
121.39037	1.0
127.03938	5.8
133.10109	1.4
135.11707	22.2
145.04947	2.1
147.11778	1.1
153.12755	100.0
154.12970	1.2
160.82101	1.0
171.13869	1.7
221.15558	1.2
239.16429	1.6
261.08658	2.2
290.06210	1.9
399.66794	1.3
413.08966	1.2
436.18768	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	435.3473
Annotation	amomol A
Peak:m/z	Relative Intensity
53.03944	1.7
55.05516	14.4
57.03438	1.1
57.07082	8.3
66.38388	0.9
67.05505	6.4
69.06722	1.3
69.07077	21.4
69.29261	9.8
71.08624	4.3
78.69644	0.9
79.05489	5.4
81.07069	15.7
83.01338	2.8
83.04971	2.0
83.08622	10.9
85.02905	1.8
85.10176	1.7
91.05500	5.4
93.07059	7.3
95.04986	1.6
95.08626	13.0
97.06544	2.4
97.10191	6.1
105.07040	8.2
107.08600	6.2
109.06519	5.1
109.10162	7.0
111.04402	1.3
111.11718	1.5
117.07065	1.4
119.08596	7.2
121.06533	1.1
121.10151	4.1
123.08079	2.4
123.11693	3.0
125.06008	24.6
126.06759	3.5
131.08560	3.5
133.10150	8.0
135.08038	2.0
135.11697	2.5
137.09589	1.4
139.07523	1.3
141.05511	2.5
142.97688	1.0
143.08592	1.7
145.10136	3.4
147.07997	1.4
147.11748	4.8
149.09647	2.7
151.07541	1.2
151.11227	2.0
153.05498	5.8
154.06256	1.7
155.07065	1.3
157.10164	3.3
159.08060	1.7
159.11647	1.6
161.09647	4.1
163.03822	1.1
163.07571	1.9
163.11229	1.6
165.05489	2.8
165.09128	1.6
167.07045	3.0
171.11734	1.3
175.11226	3.2
175.14842	1.6
177.09071	1.2
177.12756	1.5
179.10684	3.5
181.08595	1.1
183.06348	1.1
191.10674	1.5
193.08534	1.7
193.12250	1.3
203.10721	1.3
209.11769	10.2
244.51848	1.1
264.22437	1.1
264.54855	1.2
327.14471	1.0
347.25732	1.2
389.34174	1.8
399.32669	1.9
417.33652	100.0
418.33923	4.7
435.34744	53.6
436.35089	2.6
441.54672	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3471
Annotation	amomol A
Peak:m/z	Relative Intensity
53.03946	2.4
55.01865	4.8
55.05516	11.1
57.07068	8.6
63.84261	2.2
67.05503	9.3
69.03409	2.6
69.07078	20.0
69.33603	18.4
69.34008	5.1
70.50214	2.5
71.08626	5.2
79.05486	5.6
81.07064	15.3
83.00885	3.8
83.01348	46.4
83.04943	2.4
83.08615	10.2
85.02868	2.9
89.06044	18.8
91.05483	3.3
93.07075	6.9
95.04971	3.2
95.08597	12.4
97.02903	9.0
97.06548	3.4
97.10169	8.1
97.41742	2.3
100.73225	2.4
105.07037	3.8
107.08581	6.3
109.06489	3.4
109.10160	8.9
111.04391	2.3
111.11712	3.0
115.03936	4.0
119.08563	3.6
121.10128	5.7
123.08103	2.7
123.11665	4.9
125.06003	24.2
133.08612	8.1
133.10117	4.0
135.08009	3.6
137.09679	2.5
141.05435	2.3
145.10172	4.8
147.11720	4.2
153.05472	35.1
161.09760	3.2
161.13249	2.9
167.07057	9.7
181.08708	5.1
195.10117	5.4
209.11739	8.6
221.11771	5.1
239.14908	7.1
253.44341	2.4
371.33365	2.6
399.32889	5.6
417.33640	98.0
435.34717	100.0
436.35321	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	435.3471
Annotation	5beta-cholestan-7alpha,12alpha,24-triol-3-one
Peak:m/z	Relative Intensity
50.60304	1.3
53.03942	1.5
55.05515	18.0
57.07080	10.1
62.78740	1.1
67.01856	1.4
67.05503	7.4
69.03433	30.6
69.06717	1.9
69.07072	27.6
69.27480	4.7
69.27904	6.1
71.08626	4.6
79.05508	6.8
81.07064	20.0
83.01347	20.0
83.05011	1.3
83.08622	17.7
85.02910	1.7
85.10188	2.2
91.05487	2.0
93.07032	5.4
95.04951	1.6
95.08040	2.1
95.08611	19.9
97.02940	1.3
97.06533	19.6
97.10164	11.4
101.02355	1.1
105.07021	4.5
107.04942	2.2
107.08596	8.1
109.06535	4.0
109.10164	10.7
111.11741	4.1
119.08575	5.5
121.06553	1.7
121.10156	4.6
123.08066	2.4
123.11697	6.2
125.05998	66.5
125.13303	2.2
127.03949	8.4
131.08604	2.1
133.10199	2.5
135.08072	2.9
135.11716	3.3
137.05960	2.9
137.09618	2.2
137.13252	2.0
141.05475	6.0
142.07758	1.3
143.08623	1.6
145.10107	3.9
147.08044	1.8
149.09550	2.8
151.07574	2.0
151.14874	1.2
153.05473	100.0
154.05910	2.0
155.07028	1.6
157.10237	1.6
159.11685	2.9
161.09546	1.9
161.13329	1.3
163.07571	2.3
163.11238	3.1
163.14781	1.6
165.05531	2.3
165.09073	1.7
167.07057	7.9
175.11195	3.7
177.09166	6.1
177.12784	2.1
179.10709	1.4
181.08600	1.3
189.09186	1.7
189.12633	1.5
191.10669	4.5
193.12178	1.7
194.16678	1.2
195.10130	1.9
203.10782	2.5
205.12265	4.0
207.13741	1.2
209.11792	7.0
212.73518	1.2
217.12207	2.7
220.31477	1.2
221.11789	1.7
259.17154	1.1
273.18472	2.8
287.19977	1.6
291.19623	1.3
319.22867	1.2
333.24271	1.7
335.25723	1.7
347.26184	1.2
361.27148	1.5
399.32343	5.0
417.33649	90.5
418.33984	3.7
435.34720	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	435.3471
Annotation	amomol A
Peak:m/z	Relative Intensity
55.05518	14.6
57.07078	8.2
63.15731	1.7
67.05505	9.3
69.07080	20.9
69.31966	7.3
69.32384	8.0
71.08630	4.6
79.05502	5.0
81.07061	13.7
83.08629	9.7
85.10188	2.3
89.06050	4.0
91.05492	3.9
93.07075	4.8
95.06442	1.5
95.08611	13.3
97.06535	1.9
97.10189	6.6
105.06998	7.8
107.08644	4.4
108.39558	1.5
109.06585	1.6
109.10157	7.8
119.08623	3.6
119.54102	1.4
120.37576	1.3
121.06483	1.5
121.10196	3.3
123.08090	2.0
123.11749	2.5
125.06003	26.7
125.06843	2.2
126.06825	3.3
131.08542	2.1
131.30293	1.7
133.08638	2.5
133.10162	7.1
135.08064	2.3
135.11697	3.5
137.06027	2.5
139.81694	1.8
147.11728	3.3
148.82220	1.7
151.14911	2.0
153.05481	5.2
154.06198	1.7
157.10106	2.5
159.11768	3.5
161.09677	2.3
161.13315	2.0
163.07661	1.6
163.11189	2.1
165.05553	1.9
167.07114	2.5
175.11165	3.4
177.09114	2.0
179.10728	4.2
209.11784	11.5
221.86752	1.6
389.86612	1.8
417.33679	100.0
435.34769	54.9
436.35019	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	435.3471
Annotation	amomol A
Peak:m/z	Relative Intensity
53.03952	1.2
55.05302	1.5
55.05515	16.1
57.07076	8.5
57.32786	1.3
67.05492	6.1
69.03429	1.6
69.07072	22.5
69.26485	14.2
71.08615	4.8
71.65437	1.2
72.08164	7.0
79.05476	4.0
81.07062	16.2
83.04980	1.9
83.08636	15.9
85.10160	2.0
86.09711	1.5
91.05495	2.7
93.07045	8.1
95.04976	2.0
95.08601	15.5
97.06546	2.3
97.10173	6.7
98.21525	2.7
105.07022	6.7
107.08607	7.8
109.06518	6.9
109.10174	7.5
111.11710	2.5
117.07053	2.0
119.08599	6.2
119.87014	1.2
121.06483	1.9
121.10149	3.8
123.08052	1.9
123.11720	4.0
125.05994	26.6
126.06784	3.4
131.08591	3.3
133.10129	7.1
135.08086	2.0
135.11694	3.0
137.09613	3.0
145.10115	2.1
147.08125	2.4
147.11690	5.0
149.09639	3.1
151.07515	1.9
151.11195	1.9
153.05492	6.3
154.06262	3.1
155.07057	2.5
159.11679	2.1
161.09633	3.6
161.13252	1.9
163.07564	1.6
165.05455	2.4
165.09084	1.9
165.12723	1.5
167.07100	2.3
173.09540	1.4
175.11198	3.5
177.09206	2.5
179.10626	3.5
189.16402	1.5
191.10744	1.9
193.12265	1.9
209.11708	11.2
259.08383	1.4
389.34283	2.2
407.35620	1.9
417.33664	100.0
418.34067	5.0
435.34738	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2747
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
53.03943	4.0
55.05518	13.1
57.03438	2.5
57.07069	2.0
59.05001	4.1
65.03947	3.1
67.05512	100.0
67.59909	2.0
69.07059	9.0
71.04981	3.6
71.57150	2.0
72.74456	1.6
79.05502	41.6
81.03413	4.2
81.07066	33.0
83.04987	4.1
83.08623	7.7
85.06523	4.9
91.05489	32.3
93.06475	2.4
93.07053	36.1
95.04981	13.0
95.08611	18.5
97.06547	2.4
97.10159	3.1
105.07051	20.3
107.04961	4.7
107.08588	12.5
109.06516	3.9
109.10163	54.4
111.08102	4.3
113.06209	1.6
117.07012	4.2
119.08588	15.7
121.10130	2.5
123.08086	4.5
129.06996	7.9
131.08533	4.2
133.10141	8.4
137.09602	2.7
140.71008	1.8
143.08582	4.0
145.10118	5.2
147.11699	20.8
151.07538	2.3
155.10612	3.7
161.09666	3.6
161.13249	6.3
171.11673	14.5
173.11777	14.4
178.31503	2.0
189.12741	5.7
197.13248	1.9
207.13824	19.5
211.13362	3.4
225.14827	2.1
239.80652	1.8
336.42331	2.1
435.07370	2.3
435.27475	49.4
435.33237	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	435.2743
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
53.03940	8.2
55.01870	4.6
55.05518	26.6
57.03442	32.0
57.07064	3.3
60.05606	2.5
65.03936	4.0
67.05510	100.0
68.99788	4.7
69.03426	2.3
69.07079	23.5
69.66164	15.1
71.01349	5.9
71.04996	4.2
77.90862	2.5
79.05499	82.9
81.03421	5.2
81.07062	79.9
83.04982	12.2
83.08625	22.0
85.06534	5.0
91.05487	42.5
93.07048	94.7
95.04977	13.7
95.08609	35.2
97.06555	10.6
97.10166	7.9
98.21476	4.1
98.47581	2.1
99.08092	3.3
105.07034	16.1
107.04949	5.1
107.08601	37.7
109.06552	6.2
109.10162	24.7
111.00806	4.8
111.04476	3.0
111.08093	8.5
117.07028	6.6
119.08612	12.9
121.06504	3.8
121.10159	43.9
123.08074	3.9
123.11707	5.2
125.09612	4.1
127.03977	3.6
129.07042	6.1
130.48019	2.5
131.08572	11.6
133.10165	12.4
135.08054	3.9
135.11687	22.7
139.03920	14.8
139.11197	7.8
145.10121	4.8
147.11731	10.9
149.09648	5.7
149.13254	25.5
159.11711	10.7
161.13321	4.2
163.11211	2.6
167.10687	6.6
171.11690	8.3
173.11754	4.7
177.12776	4.9
180.55701	2.6
181.12274	3.6
189.12529	2.7
195.13799	10.6
203.69002	2.4
207.13853	6.4
237.67241	2.2
269.17487	4.3
291.19431	3.6
309.20593	35.1
333.20547	5.8
375.21719	2.6
417.22638	11.7
421.10321	2.4
423.53833	2.5
435.27643	69.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2744
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
53.03949	7.1
55.01867	5.4
55.05513	29.2
57.03439	22.3
57.07074	5.9
60.28224	2.7
65.03962	3.3
65.46518	3.0
67.05508	80.6
67.51469	2.7
69.03436	4.4
69.07072	40.0
71.01360	3.6
71.04996	9.3
71.56899	3.0
79.05496	78.0
81.03412	15.1
81.07063	88.9
83.04990	13.2
83.08627	21.8
85.02909	5.4
85.06516	6.2
91.05477	43.0
93.07051	100.0
95.04990	16.6
95.08610	51.0
97.02879	3.0
97.06543	13.5
97.10179	8.3
97.62532	2.7
99.08108	4.3
105.04474	3.5
105.07044	27.5
107.04957	8.2
107.08616	41.3
109.06518	8.8
109.10159	24.9
111.08089	5.9
111.11742	3.9
113.06819	3.2
117.07026	12.3
119.08589	19.9
121.06519	6.2
121.10150	55.9
123.08072	7.0
123.11685	6.3
125.05980	19.2
125.09628	4.8
127.03923	3.7
129.07028	5.0
131.08568	24.4
133.10117	21.3
135.11707	14.7
137.09619	3.6
137.13228	2.8
139.03908	12.3
139.11192	6.9
143.08609	2.9
145.10146	7.9
147.11691	10.5
149.09668	11.8
149.13251	30.5
150.90567	3.1
151.11256	3.6
157.10135	3.5
157.14148	2.8
159.11769	16.3
161.13228	4.5
163.11208	3.1
167.10681	16.1
171.11627	5.6
173.09569	4.2
173.11829	3.5
173.13246	3.0
177.12773	6.5
183.11766	3.3
183.96225	2.9
185.63295	3.4
187.14879	4.1
189.12720	3.6
189.16499	3.1
195.13881	9.8
201.16524	3.2
207.13736	3.6
213.12814	2.9
269.17630	4.9
279.15958	10.2
280.10324	2.9
291.19644	4.2
325.21747	4.1
371.25595	3.7
399.25128	6.1
417.22354	29.5
417.33624	8.0
435.07242	7.6
435.27353	67.8
435.32477	9.3
437.07169	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	435.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.5
55.05518	3.9
57.03428	1.1
57.07079	0.6
57.42791	0.3
59.44813	0.3
65.03947	0.5
67.05506	4.1
69.03415	0.4
69.07089	2.3
69.52003	3.0
79.05502	3.4
81.07060	3.3
83.08619	2.4
85.06559	0.4
86.13374	0.3
89.03921	3.0
91.05467	1.4
93.07059	2.5
95.04989	0.9
95.08634	2.5
97.06524	0.5
97.10165	0.8
98.21493	0.7
105.07026	0.8
107.04976	2.1
107.08589	1.7
109.10143	2.1
111.08051	0.6
117.02605	0.6
117.03387	5.5
119.08568	1.0
121.10204	2.2
121.10902	0.4
123.08080	0.4
125.09676	0.6
129.07083	0.5
135.04425	12.7
135.11739	0.5
145.01743	0.7
145.02858	9.4
146.24509	0.4
149.13203	0.7
161.13300	0.4
163.03915	100.0
163.14812	0.6
164.04239	0.8
171.11719	0.7
181.04965	1.2
186.05518	0.6
207.13789	0.4
217.58078	0.4
337.05817	0.5
435.23074	3.6
435.32834	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	11.1
67.05510	5.6
69.03421	5.8
69.07068	5.1
71.05000	4.9
71.56841	3.6
79.05496	3.5
81.03410	2.8
81.07067	10.6
83.04986	8.5
85.02921	15.5
90.91045	2.5
91.05475	7.4
93.07062	8.3
95.04979	4.8
95.08616	7.7
97.02913	5.6
97.06544	5.1
100.11261	7.2
105.07049	9.6
107.04987	3.2
107.08599	8.5
109.10161	6.8
111.04451	6.6
119.04955	6.8
119.08597	5.3
121.10175	17.5
123.04476	3.0
123.08040	2.8
123.11718	4.8
127.03913	4.9
131.08578	4.3
132.04605	2.5
133.10158	12.7
135.11725	6.9
137.05940	3.7
145.10159	2.9
147.04431	33.1
147.11726	5.6
149.13222	2.8
151.11258	3.9
153.01860	64.5
153.12807	3.9
159.11693	4.5
166.27515	2.9
171.02917	5.6
182.15428	2.7
195.02911	3.4
201.16362	3.3
210.14938	2.9
219.17545	6.5
237.18497	26.2
271.06256	4.2
272.06354	5.4
273.07623	100.0
303.04898	5.1
316.02808	2.5
435.06973	7.4
435.33536	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	435.0926
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
57.03442	6.3
61.02916	1.3
68.99785	1.1
69.92643	3.9
73.02926	12.9
92.18549	0.7
111.00816	1.1
111.13749	0.7
115.03944	0.8
121.02908	1.2
137.02383	5.1
149.02368	0.8
153.01872	3.9
161.32474	0.8
163.03966	1.1
163.87479	0.7
165.01865	2.2
183.02866	0.8
192.55472	0.7
201.05554	2.1
229.05028	4.8
254.01563	0.8
257.04498	3.2
285.03964	1.4
298.07333	0.8
303.05020	100.0
303.50818	0.9
304.05402	2.0
349.22128	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.129
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
57.03426	0.8
67.01856	0.8
67.19119	0.6
69.03414	1.7
71.26361	1.1
79.05483	0.8
81.07064	1.9
83.04984	1.3
85.02920	3.0
91.05476	3.6
93.07066	1.1
95.04998	2.0
95.08620	1.0
97.02924	1.6
105.07016	0.9
107.04978	1.9
119.04947	10.7
119.08578	1.2
121.02843	0.7
121.10169	2.0
123.04509	3.2
127.03911	0.9
147.04428	34.2
147.11714	1.1
151.03984	1.0
153.01836	70.6
153.64436	0.7
165.12759	1.4
169.12288	0.8
171.02945	2.5
174.91701	0.7
176.26437	0.7
179.03441	1.0
206.63350	0.6
237.18471	0.9
247.33923	0.7
271.05945	4.0
272.06400	3.2
273.07605	100.0
274.07959	2.3
303.05048	1.1
361.02371	0.7
435.07019	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.1
55.01863	1.9
55.05513	13.0
57.03436	5.2
57.07068	2.2
62.46174	0.7
65.03949	1.2
67.01862	2.9
67.05510	25.6
68.99805	7.5
69.03432	0.8
69.07076	13.0
70.22055	1.8
70.22413	1.5
71.01369	1.0
71.04990	2.3
79.05502	14.9
81.03422	2.5
81.07062	28.8
81.78685	0.7
83.04978	3.7
83.08626	11.8
85.02914	1.2
85.06564	1.7
91.05475	9.8
93.07047	19.2
95.04952	3.6
95.08616	22.2
97.06523	5.7
97.10175	6.1
99.08044	1.1
105.07034	5.3
107.04967	1.4
107.08597	10.5
107.71581	0.7
109.06529	2.8
109.10174	13.2
111.00813	14.4
111.04414	4.2
111.08099	3.5
111.11749	2.4
113.33325	0.8
117.06987	1.6
119.08607	6.2
121.10157	13.9
123.04417	1.4
123.08076	2.8
123.11683	4.2
125.05962	1.7
125.09641	2.1
127.03918	8.7
131.08586	4.2
133.10130	5.1
135.08099	1.2
135.11693	4.9
137.09656	2.7
137.13251	1.0
138.58846	0.7
139.03906	37.4
139.07512	1.3
139.11192	2.4
143.08505	1.0
145.10127	2.8
147.08057	0.9
147.11708	6.1
149.09630	1.5
149.13286	4.4
151.11180	1.5
153.05492	0.9
153.09105	1.0
159.11685	2.1
161.09567	1.1
161.13266	1.8
163.11325	1.0
165.09160	1.5
165.12805	0.9
167.07092	1.6
167.10736	1.7
171.11659	1.8
173.11795	1.0
175.11244	0.7
177.12761	1.1
179.10733	1.3
181.08530	1.7
181.12276	0.8
189.16400	4.6
193.12196	1.4
194.69807	0.7
195.10120	1.2
195.13829	2.1
203.18008	1.9
207.13875	2.1
207.17450	1.7
209.11732	1.5
223.13329	2.0
237.14755	1.0
249.14980	0.9
249.18509	3.0
263.20166	0.9
267.19412	1.1
279.19678	2.0
291.19537	3.2
305.21027	4.5
307.22681	2.1
309.20618	100.0
310.21072	2.4
315.19513	2.5
333.20575	8.9
349.23752	3.2
352.54321	0.8
375.21677	7.6
391.24481	1.1
417.17270	1.7
417.22726	31.5
435.22998	17.8
435.28223	4.1
449.98465	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43047	2.9
53.75665	3.6
56.96566	9.7
58.99857	5.0
59.94317	4.0
63.02338	2.9
69.03423	12.7
71.56139	5.4
72.93736	2.9
73.45509	3.4
73.65862	3.4
77.00912	4.8
79.05513	2.8
81.03419	4.1
85.02912	25.3
89.03934	17.0
91.02466	5.0
91.03970	3.0
91.05470	4.6
95.01917	3.7
97.02885	18.8
98.97629	3.6
101.00890	37.8
103.02468	7.7
113.00898	4.9
115.02444	24.2
116.29443	3.3
116.98642	3.8
117.03361	10.5
119.01925	98.8
119.04935	12.5
127.03928	11.7
129.04005	4.1
131.01891	24.9
133.03485	55.6
135.04393	28.7
136.04701	3.8
137.02966	10.6
139.02420	3.5
143.01913	66.0
143.05544	5.4
144.99835	12.5
145.02612	5.3
145.03474	18.7
145.04938	6.6
147.01382	10.2
147.04340	29.2
149.02942	11.9
151.04543	7.8
155.01869	11.1
157.03459	13.7
159.01389	13.0
161.02962	74.1
161.06593	4.4
163.03900	100.0
164.04250	5.6
168.99878	23.8
169.03552	5.6
171.01410	29.0
171.05060	4.3
172.99342	4.4
173.02998	27.6
175.00943	5.4
175.04518	10.7
177.02483	13.8
179.02313	6.8
183.01466	6.8
183.04991	9.6
185.02940	20.2
185.06601	6.7
187.00876	37.3
187.04515	11.0
189.02449	42.4
189.06032	3.6
191.00465	5.0
191.04004	14.8
195.01515	4.1
197.03061	12.7
199.00905	24.1
201.02473	18.9
203.02211	5.3
203.04048	11.2
205.01895	7.7
207.03563	8.1
213.02425	11.5
213.06197	4.0
215.00435	27.6
215.04065	10.7
217.01970	53.2
219.03513	13.6
221.02971	37.6
221.04945	5.6
227.00371	3.5
229.01895	18.3
231.01765	3.3
231.03592	32.3
233.01433	11.4
239.04108	16.6
241.01965	7.3
243.03584	6.8
245.01437	4.5
245.05280	15.6
247.03246	17.0
251.02623	15.3
255.07347	3.6
257.01422	5.0
257.05057	11.8
259.03015	16.9
261.04739	6.3
264.07584	12.4
265.04123	6.6
271.03198	4.4
271.06131	4.4
273.00842	3.5
275.02487	24.1
277.04205	4.6
283.03021	7.6
287.02493	4.3
289.04083	48.2
299.02576	4.8
301.00543	4.5
305.03317	4.2
305.07053	5.4
307.05090	51.1
315.01938	18.6
315.05521	6.8
317.03683	6.8
319.05014	4.5
329.03497	8.6
331.01163	3.2
333.02972	10.0
343.01511	7.7
343.05161	10.3
345.03036	11.1
347.04605	6.8
359.05017	19.2
361.02301	16.3
361.06433	15.7
363.03973	6.2
375.04117	13.7
377.05884	12.9
379.07440	3.6
387.04092	6.1
393.05222	9.9
395.07672	6.4
403.03476	6.8
405.05145	5.3
421.04724	9.0
435.06885	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	434.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.5
55.01869	3.9
55.05503	3.3
57.03432	2.7
61.02918	3.1
61.65346	1.3
62.76800	1.7
67.05505	7.0
68.37823	1.3
69.03440	14.3
71.56752	2.2
73.02916	2.7
79.05476	2.9
81.03017	1.4
81.03430	11.2
81.07059	11.4
85.02428	2.5
85.02912	32.5
85.06492	1.4
86.06071	1.8
87.00836	14.5
91.05480	17.9
93.07048	100.0
95.04983	7.6
96.04491	2.7
97.02895	12.5
99.04447	4.4
105.01881	18.7
105.07026	7.8
107.08590	8.7
109.02885	11.9
109.06504	4.0
109.10161	70.3
111.04432	4.4
120.08081	1.4
121.02860	1.8
123.08092	1.5
123.11723	5.9
127.03912	23.9
133.10135	24.3
136.07562	1.9
145.04967	9.4
147.04413	3.0
151.09956	2.7
151.11182	55.9
159.02852	3.2
168.06630	1.5
169.12253	36.7
178.84309	1.6
184.38515	1.6
213.03899	2.3
231.05000	11.4
237.14865	3.2
249.05911	1.8
270.36069	1.5
272.06161	1.7
288.05667	1.8
303.04822	4.2
399.16400	2.6
434.17099	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	6.5
59.35410	4.6
59.90472	4.6
60.37479	3.5
67.05502	18.8
69.03415	5.5
69.07063	5.5
69.52261	7.5
69.52672	21.8
73.27282	4.0
79.05492	16.6
81.07063	38.0
85.06544	7.3
91.05483	14.2
93.07045	39.0
95.08611	48.4
97.02908	4.1
98.09473	4.0
98.21484	5.7
99.08087	5.3
101.05954	4.0
105.07008	12.9
107.08603	27.6
109.06529	8.2
109.10167	17.1
111.08084	8.7
113.06006	7.7
113.09624	8.3
117.06982	4.4
119.08601	22.4
121.06548	6.1
121.10143	100.0
123.08076	13.8
123.11729	6.0
125.82985	4.4
131.08524	4.0
132.57964	3.9
133.10135	12.8
135.08083	5.5
135.11691	38.2
137.09547	5.6
139.07527	5.1
141.09122	7.2
142.21060	4.6
145.10162	11.0
149.09650	7.6
149.13243	4.8
151.07494	8.8
151.11188	16.3
155.10681	5.4
159.11688	9.8
163.11189	32.3
177.12810	8.6
179.10669	5.7
181.12241	84.9
193.12242	5.8
195.13799	9.4
199.13269	27.0
237.14839	4.5
246.77974	4.5
299.20251	7.8
317.21210	34.7
335.22198	73.0
353.16666	5.4
353.23090	6.0
363.21478	22.8
381.22864	22.1
407.47733	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	40.7
57.07064	13.1
59.04984	51.3
67.05486	41.9
69.07049	18.2
71.57285	19.1
74.40098	12.4
79.05481	23.5
81.07062	41.3
85.06546	100.0
91.05485	47.8
93.07062	55.3
95.04957	11.3
95.08593	51.2
105.07048	39.1
106.12363	11.1
107.08596	37.7
108.50889	10.4
109.10129	35.7
109.36844	10.6
117.07021	13.9
119.08620	71.5
121.10130	29.0
123.08040	15.9
125.09588	19.7
129.46388	11.2
131.08574	25.9
133.10106	27.9
135.11729	25.3
137.09641	28.3
143.08578	18.5
145.10095	24.8
147.08179	14.1
147.11642	12.7
151.11153	42.9
153.05466	20.2
157.10098	20.5
159.11760	11.6
170.10945	10.7
171.11713	13.0
183.11710	22.7
195.11739	15.3
197.13194	12.5
217.69312	12.8
221.13319	18.2
223.56143	17.1
226.75438	12.9
405.35797	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	433.3316
Annotation	1alpha,2beta,25-trihydroxycholecalciferol
Peak:m/z	Relative Intensity
53.03938	1.2
54.78828	1.0
55.01861	3.9
55.05307	1.0
55.05519	9.5
55.93512	1.1
57.07084	4.7
67.05509	9.9
69.03431	1.5
69.06725	1.3
69.07075	20.6
71.57484	1.2
72.93780	1.2
79.05500	6.0
81.07067	20.9
83.01350	37.0
83.05013	1.4
83.08620	8.7
85.10148	0.9
90.94804	2.0
91.05480	4.9
93.07043	5.2
95.08617	15.0
97.02897	6.0
97.06534	2.1
97.10173	4.6
99.08114	1.0
101.02381	1.9
105.07033	5.4
107.04954	2.6
107.08578	3.7
109.06507	1.2
109.10159	8.7
111.11713	1.6
114.26297	0.9
115.03939	2.6
119.08601	4.6
121.06490	2.9
121.10175	4.7
123.08070	1.0
123.11714	5.0
125.06008	13.7
126.06744	1.0
129.07007	1.5
131.08563	2.6
133.10124	2.8
135.04382	1.0
135.08072	2.9
135.11708	2.0
137.06024	6.7
137.13287	3.1
141.05450	1.5
142.07803	1.0
143.08638	1.3
145.06479	1.1
145.10106	2.0
147.08051	1.4
147.11694	2.7
149.06046	1.0
149.09628	1.8
149.13251	1.3
151.07541	6.1
151.14865	0.9
153.05481	50.3
161.06024	1.2
161.09624	1.9
163.07552	4.2
163.11247	1.0
165.09148	2.8
166.97978	1.2
167.07071	9.9
171.06552	3.3
173.09627	1.2
173.13242	0.9
175.07524	1.6
175.11195	1.7
177.09113	9.8
179.07056	4.1
179.10663	1.3
181.08630	1.8
189.09129	2.0
191.07149	1.2
191.10670	2.2
192.99426	1.2
193.08633	12.5
195.10222	3.1
207.10214	1.8
209.11743	6.6
219.10202	3.1
221.11798	7.8
235.13277	1.8
263.16400	1.1
277.17966	1.4
290.71320	1.0
359.16806	6.3
359.25375	1.0
391.32175	1.5
415.32098	100.0
416.32498	3.1
433.33185	67.7
434.33435	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.7
55.01862	3.0
55.05514	18.6
55.59612	1.3
57.03444	7.7
63.19685	1.2
65.03934	4.4
67.05506	50.9
69.03427	2.6
69.07078	9.5
71.01347	3.6
71.04988	3.8
71.57054	1.5
78.34064	1.4
79.05059	2.6
79.05497	37.7
81.03417	13.0
81.06590	1.4
81.07063	27.9
83.04984	14.1
83.08616	4.8
85.06548	4.4
90.84786	1.3
91.05485	100.0
93.07049	35.9
95.04984	8.9
95.08607	9.8
97.02894	5.3
97.06528	11.7
97.10165	5.5
100.31224	1.4
101.33251	1.3
105.07032	34.6
107.04974	10.1
107.08606	25.4
109.06507	3.8
109.10159	6.0
115.05454	2.0
117.07054	8.3
119.08580	12.1
121.06527	3.2
121.10165	7.6
123.08077	1.9
128.06181	2.2
129.06999	1.9
131.08594	5.4
133.10143	39.4
135.08064	4.5
135.11707	35.0
137.09647	1.5
143.08545	6.7
145.10152	7.2
147.08122	1.4
147.11613	1.6
149.09648	6.8
151.11172	6.2
161.09602	13.5
161.51343	1.5
163.11176	5.4
179.10704	12.7
181.12228	6.6
184.51132	1.8
197.11765	4.2
253.14388	1.9
255.15973	12.8
255.96088	1.4
287.05255	1.5
406.36600	1.5
433.25836	22.7
433.31381	3.1
455.46866	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.1
53.03938	0.1
54.28758	0.1
55.01880	0.1
55.05512	2.0
57.03436	1.0
57.07067	0.4
65.03928	0.9
66.80127	0.1
67.05510	1.1
69.03423	0.1
69.06716	0.2
69.07069	2.2
69.38388	0.6
69.38809	0.3
71.08677	0.1
73.06569	0.1
79.05495	0.9
81.07058	1.0
83.08614	1.0
91.05482	6.9
93.07034	0.9
95.04969	0.2
95.08607	1.2
97.06534	0.4
97.10146	0.5
97.30109	0.1
98.20719	0.2
107.08588	0.5
107.91111	0.1
109.10152	0.4
111.08067	0.3
119.04945	18.7
120.05234	0.1
121.10152	0.7
122.21922	0.1
123.04429	0.1
125.09636	0.1
135.11707	0.3
147.04411	100.0
148.04767	0.8
165.05481	3.0
177.16391	0.3
185.05916	0.1
195.17522	0.2
221.08121	0.3
269.21103	0.2
398.07520	0.1
433.25870	3.3
433.35831	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	433.2434
Annotation	Integrifoside C
Peak:m/z	Relative Intensity
55.05499	18.2
67.05483	29.0
69.03408	21.4
69.61113	100.0
79.05507	17.3
81.07042	48.8
83.04977	33.5
86.09044	12.8
91.05450	22.3
93.07043	46.0
94.17902	15.1
95.04948	17.4
95.08588	45.4
107.04974	16.3
107.08573	46.4
109.10159	40.1
119.04929	18.7
119.08565	20.0
123.08054	18.2
123.11712	19.3
127.03898	16.0
131.08574	19.0
133.10078	22.3
135.11697	14.1
137.05981	18.1
147.01758	14.9
147.04430	62.3
147.11684	17.6
149.13286	24.5
151.07558	88.9
287.05469	86.4
339.04947	37.7
433.09503	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	433.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52892	2.9
53.03943	5.6
55.01867	15.4
55.05516	19.8
57.03448	4.2
57.07078	7.2
59.04984	4.8
60.81879	2.7
61.02912	5.4
65.03941	4.4
67.05508	31.2
67.10473	2.8
68.99783	10.3
69.03440	51.3
69.07084	23.0
71.05009	23.7
71.41336	3.1
71.41669	3.7
76.73466	3.0
79.05502	28.5
81.03423	41.0
81.07063	57.2
83.04981	12.0
83.08614	11.2
85.02907	34.6
85.06534	5.5
87.00846	23.4
87.04449	3.1
91.05479	32.7
93.07044	47.0
95.04984	18.6
95.08622	47.4
97.02904	29.0
97.06528	6.7
97.10160	5.1
99.04443	5.5
99.08061	3.5
103.05476	4.3
105.01892	5.0
105.07034	63.6
107.04939	15.7
107.08607	44.0
109.02888	4.8
109.06511	9.5
109.10175	34.8
111.00900	3.3
111.04433	10.0
111.08117	3.0
115.03903	7.5
115.05450	6.9
117.07040	23.6
119.04950	3.5
119.07783	5.2
119.08592	70.7
121.06509	15.2
121.10159	34.9
123.04430	13.9
123.08073	12.3
123.11714	20.0
125.06004	4.6
125.09666	5.1
127.03905	8.0
127.11198	8.5
128.06218	15.2
129.01833	5.6
129.07013	18.5
130.07823	4.2
131.05019	3.2
131.08598	43.1
133.06485	8.4
133.10155	36.6
135.08055	12.8
135.11696	15.1
137.05943	5.5
137.09613	11.1
139.11200	3.6
141.07014	13.0
142.07790	20.4
143.08569	45.3
144.09302	9.3
145.06508	12.6
145.10124	59.1
147.08049	11.5
147.11720	33.0
149.09648	8.0
149.13240	4.8
151.07494	3.8
151.11183	4.3
154.07747	5.0
155.08546	26.8
156.09433	14.8
157.10129	66.7
158.10904	4.7
159.02892	5.3
159.08058	19.0
159.11707	63.5
161.06110	3.8
161.09648	16.7
161.13251	14.9
163.07500	7.1
163.11169	8.7
165.07030	9.8
165.09120	3.6
167.08546	14.3
168.09285	6.6
169.10162	31.0
170.10957	6.7
171.08046	14.8
171.11708	48.5
173.09653	20.3
173.13295	33.5
175.07687	4.1
175.11139	19.4
175.14879	8.8
177.12761	4.6
179.08585	11.1
181.10133	17.9
182.10895	6.7
183.08125	5.8
183.11708	26.5
184.12381	4.4
185.09676	14.2
185.13298	24.1
187.11188	13.6
187.14827	21.6
189.09198	17.0
189.12831	6.8
189.16452	5.6
191.10732	6.2
191.14290	4.3
192.09323	4.3
193.10097	7.7
194.10883	3.9
195.08138	4.6
195.11687	15.8
196.08870	5.4
197.09641	7.5
197.13292	20.7
199.11148	12.4
199.14836	11.4
201.03877	5.7
201.09067	3.5
201.12747	17.3
201.16417	33.7
203.10661	4.1
203.14334	4.5
203.17958	9.2
205.12158	4.7
207.11726	12.7
208.12456	4.1
209.09515	3.4
209.13237	13.6
210.10416	7.4
211.11247	7.7
211.14861	9.5
213.12735	7.4
213.16393	29.4
215.10692	6.0
215.14343	8.5
215.17996	15.6
217.15793	4.2
219.17554	6.0
221.13335	5.1
223.14833	12.0
225.12767	30.7
225.16260	15.9
227.14304	10.8
227.17937	15.1
229.12285	3.7
229.15829	6.5
231.17499	9.0
233.18987	4.2
237.16469	3.9
239.14340	7.1
239.18060	7.5
241.15869	17.5
241.19522	4.7
243.13800	21.3
243.17427	26.4
245.19014	9.2
251.14352	5.4
251.18118	7.5
255.13712	5.8
255.17403	8.1
257.15417	3.4
257.19101	11.7
259.16898	5.2
261.18665	5.1
265.19513	5.1
269.18939	9.3
273.18155	3.9
275.17700	3.6
283.20670	6.0
287.20093	9.1
293.18976	21.0
301.21820	6.5
311.20090	76.5
329.21109	55.4
347.14990	9.0
347.22049	5.9
389.23264	6.2
397.20050	7.3
415.21179	36.0
433.22217	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33247	1.3
55.01871	2.7
55.48502	1.2
57.03432	5.7
57.09024	1.3
67.05491	2.1
69.03425	6.1
69.07055	4.1
71.04988	2.5
71.08614	1.3
71.56613	1.5
72.08157	1.3
73.02905	1.6
77.81150	1.3
79.05498	1.7
81.03412	5.0
81.07047	2.9
84.08119	2.5
85.02901	11.6
86.06073	1.7
87.00832	4.4
91.05455	1.4
93.07068	2.8
95.04964	1.5
95.08595	3.8
97.02890	5.0
97.06576	2.0
99.04444	1.9
100.25381	1.3
105.01875	1.4
105.07039	1.8
107.08595	4.8
109.02882	5.3
109.10184	3.9
111.04449	3.8
111.08125	2.0
112.68134	1.2
121.10181	1.4
123.08095	1.8
123.11678	2.5
127.03940	7.5
133.10126	2.8
136.07581	2.4
137.06009	1.7
141.12775	1.5
145.04977	3.6
147.04385	2.2
149.13289	2.5
153.01974	1.5
159.02902	2.0
167.14322	16.6
181.70195	1.5
185.11552	12.3
185.15428	4.3
203.11330	1.4
213.11075	6.5
257.09259	1.7
271.06247	3.1
279.55240	1.7
287.05484	5.1
329.15662	2.2
347.16763	26.5
355.12793	2.4
377.15942	1.6
389.17813	86.9
390.18262	1.7
416.47705	1.3
433.16769	100.0
434.17056	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	433.2224
Annotation	(-)-Chrolactomycin
Peak:m/z	Relative Intensity
53.03922	0.6
53.40667	0.6
55.01857	1.8
55.05515	7.6
56.53656	0.6
57.03431	0.7
57.07083	3.3
65.03908	0.7
67.01842	1.9
67.05512	4.9
68.99807	6.5
69.03403	1.1
69.07076	11.0
69.91413	3.6
71.08616	1.3
71.96905	0.7
75.48620	0.6
79.05499	3.9
81.03403	1.4
81.07063	7.3
83.04966	2.4
83.08630	7.2
85.10228	0.6
87.00774	0.7
91.05475	1.4
93.07057	5.4
95.08611	7.8
95.09172	1.1
97.02882	1.1
97.06539	4.3
97.10178	4.7
98.20829	0.7
105.07032	1.1
106.69934	0.6
107.04903	0.9
107.08611	4.0
109.02876	0.9
109.06489	0.6
109.10145	3.9
111.00810	17.0
111.04479	3.5
111.05084	0.7
111.08066	1.4
111.11697	1.2
119.08617	1.4
121.06477	1.4
121.10135	6.2
123.04428	0.7
123.08071	1.4
123.11668	1.0
125.06004	1.4
125.09596	1.3
127.03925	32.5
131.08603	1.0
133.10106	0.8
135.08023	1.7
135.11693	4.5
135.72363	0.6
139.03906	19.3
139.07558	1.5
139.11209	0.9
145.10175	1.1
149.09622	1.6
149.13228	1.5
153.09082	1.1
153.12747	1.3
159.11609	0.8
163.11137	1.1
166.23387	0.6
167.07155	1.2
167.10699	1.6
171.10112	0.7
177.16426	1.9
181.08568	1.1
181.12265	1.0
185.11676	0.9
187.14880	0.9
191.17891	1.2
195.10188	4.1
199.13339	0.8
201.16408	1.4
209.11772	4.3
219.17427	1.2
223.13280	3.8
237.14853	2.9
237.18533	6.3
255.19604	0.8
265.17978	2.3
279.19577	25.1
280.19794	0.8
289.18109	0.9
290.13406	0.6
307.19055	100.0
308.19470	3.2
322.11722	1.1
349.20023	1.5
389.66211	0.8
391.21301	3.3
433.22256	25.1
434.22742	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1131
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
57.03447	3.0
70.03411	1.4
70.03810	1.1
71.04998	23.8
75.04470	1.2
81.17370	0.6
85.02911	22.9
107.04960	0.8
111.00791	0.7
121.02849	3.8
125.05930	1.0
127.03868	0.7
129.05461	4.8
137.02322	1.5
147.04402	0.9
147.06641	0.8
150.63023	0.6
153.01834	2.6
155.17636	0.6
165.01852	1.7
167.10660	1.2
185.11772	2.3
213.05486	1.7
241.05064	1.3
257.14984	0.6
258.05103	1.2
269.04294	0.6
271.06012	1.2
287.05518	100.0
288.05869	2.0
299.05487	1.4
329.06604	2.3
353.06415	0.8
374.04367	0.6
379.08188	0.7
397.08838	0.9
436.09091	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1132
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
51.36528	0.6
56.56043	0.5
57.03183	0.5
57.03446	3.4
67.17097	0.5
69.03435	1.0
70.81680	1.0
70.82012	0.7
71.05000	24.8
73.02912	0.6
75.04481	0.7
85.02913	23.7
87.04464	0.6
91.05476	0.6
94.76567	0.6
109.10163	1.0
111.00837	0.6
121.02902	3.2
127.03929	0.8
129.05493	6.5
137.02310	1.1
153.01869	4.7
153.62643	0.5
154.81372	0.5
165.01865	1.7
183.02852	0.9
185.11752	1.2
212.04593	0.7
213.05515	1.4
241.04945	0.8
250.30673	0.6
258.05176	1.2
271.05975	2.1
287.05524	100.0
288.05865	2.2
299.05597	0.8
314.79193	0.6
329.06442	1.2
397.09116	0.8
433.11182	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1496
Annotation	1178-24-1
Peak:m/z	Relative Intensity
52.96377	0.6
53.03947	1.4
55.01876	1.3
55.05514	4.0
57.03440	7.5
63.02271	0.6
67.05502	9.8
69.03413	0.9
69.07063	2.4
71.04966	1.0
71.32371	1.2
71.32701	0.9
71.92449	0.6
79.05495	20.5
81.03419	1.8
81.07066	10.6
83.04980	2.6
83.08618	1.5
91.05483	9.7
93.07050	9.4
95.04965	3.7
95.08622	4.5
97.06527	1.4
97.10195	0.9
105.04461	0.8
105.07035	7.5
107.04949	1.2
107.08597	5.8
109.06528	1.8
109.10181	1.5
117.07015	2.1
119.08583	5.0
121.06481	0.7
121.10149	0.9
123.08058	1.0
125.09641	2.7
127.03939	1.3
129.07030	3.4
133.10126	1.7
135.08078	4.7
135.11652	1.2
137.05914	0.7
139.03899	2.3
141.07057	0.7
143.08571	1.7
145.10130	1.6
147.08017	0.8
147.11681	5.6
149.02293	0.6
151.07613	1.3
153.09102	1.7
159.11725	0.6
161.09610	0.8
161.13271	1.4
163.03944	1.0
165.05490	7.4
171.11716	5.6
178.06198	0.8
183.02966	3.5
189.12793	2.2
207.13832	3.8
211.02408	1.6
225.04132	0.6
233.08063	0.7
243.06558	1.4
271.06161	1.6
281.04282	0.8
281.17514	3.8
283.05988	1.0
287.16034	0.7
289.07114	2.2
299.05618	2.7
302.04190	0.7
309.04025	0.9
311.05554	1.8
313.07089	1.4
314.07764	1.3
317.06567	4.3
327.05109	3.0
327.08401	0.8
329.06485	1.4
339.05029	3.0
341.06567	0.9
342.07336	1.7
343.08038	0.8
345.06036	9.9
354.07578	0.9
355.04437	1.3
357.05942	2.1
357.09851	2.4
359.07538	2.3
360.08331	2.9
369.05908	1.4
370.06302	1.3
371.07477	1.1
373.05582	5.9
375.10965	1.6
383.45761	0.7
385.09250	7.4
387.06903	3.5
388.07837	5.4
400.11679	0.7
403.10257	74.3
404.10529	2.7
415.21649	1.0
417.11768	3.7
418.12604	11.1
433.14972	100.0
433.25858	3.8
434.15326	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.113
Annotation	Luteolin 3'-methyl ether 7-xyloside
Peak:m/z	Relative Intensity
50.04917	0.6
53.05156	0.7
55.01880	0.7
56.20240	0.7
57.03426	1.1
61.02953	0.7
67.05506	0.9
67.70042	0.8
68.99814	1.4
69.03429	1.8
69.44714	5.6
73.02902	2.3
81.03438	1.5
84.08141	0.8
85.02907	4.3
85.06545	0.9
91.05491	1.6
93.07022	0.8
95.04993	1.1
97.02896	1.9
97.06522	0.7
107.04954	0.8
109.02928	1.6
115.70911	0.8
119.04967	3.8
121.02874	12.8
123.04435	1.0
127.03933	1.4
133.04947	0.9
137.02405	0.9
138.24911	0.7
141.01865	1.9
145.02872	2.6
145.04996	1.4
147.04417	1.4
149.02350	1.6
149.38768	0.7
163.03943	3.0
165.01831	12.7
167.03426	3.0
167.10709	0.9
177.01825	1.1
183.02873	3.6
185.11789	3.6
185.15282	0.9
187.03926	2.8
191.03447	1.8
195.02925	1.6
203.03502	0.9
215.03610	1.4
217.04901	1.8
229.05013	1.2
242.05595	0.9
243.03049	1.2
255.06573	2.3
256.07297	2.7
261.03870	1.4
267.06500	6.2
270.05389	2.5
271.05984	7.3
277.08585	1.4
277.27939	0.8
279.06598	2.0
281.08136	6.8
283.06033	100.0
284.06747	15.1
285.07608	1.0
293.08066	1.0
295.06036	11.3
295.09430	1.3
297.07568	5.9
305.07828	1.7
307.05975	2.1
308.06784	2.7
309.04132	1.3
309.07538	17.2
311.05487	1.3
313.07062	72.0
317.08395	1.2
321.07584	3.4
323.05472	1.4
323.09146	16.5
325.07089	1.8
333.07486	2.7
337.07056	33.9
337.11127	1.8
343.08218	1.3
349.06964	10.2
351.08670	3.1
355.08020	1.1
361.07040	7.5
367.08139	20.0
379.08136	15.9
391.08121	2.9
397.09192	22.2
398.09415	1.3
415.10330	16.0
433.11447	17.2
433.17017	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1133
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
54.50707	0.2
55.05489	0.1
56.31443	0.1
61.92960	0.2
67.01865	0.5
68.99789	0.3
71.12540	0.4
72.13705	0.1
75.39117	0.2
85.02898	0.3
91.05479	0.3
95.08591	0.2
97.02930	0.2
107.08606	0.2
114.24918	0.2
119.04961	1.6
121.02893	0.7
127.03915	0.3
145.02867	0.4
153.01849	5.0
163.03873	0.3
171.02884	0.4
177.42938	0.2
211.67003	0.2
225.05449	0.2
229.04910	0.3
243.06570	0.5
271.06036	100.0
272.06354	2.0
283.05829	0.2
357.63702	0.2
433.11377	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	433.1132
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
50.30742	0.7
55.05495	1.4
57.03444	8.8
65.15200	0.8
67.05496	0.9
69.03421	1.0
69.87627	3.9
71.04996	12.1
73.02937	4.5
75.04048	0.8
75.04487	16.4
79.05485	1.2
81.03428	1.6
81.07052	1.6
83.04974	2.3
85.02911	46.5
87.04451	1.4
91.05473	1.1
93.07047	1.4
95.08606	1.1
97.02895	1.1
98.21407	0.9
107.08622	1.2
109.02895	1.5
109.10136	1.0
111.04425	1.5
116.14974	0.8
119.08607	0.9
121.02859	2.7
121.06498	0.9
121.10142	1.1
127.03926	1.4
129.05496	5.3
133.10233	0.8
147.06525	1.6
153.01859	4.2
165.01891	0.8
213.05484	1.7
258.05237	0.9
271.06039	1.7
281.89319	0.7
287.05521	100.0
288.05798	2.1
304.08145	0.7
433.31113	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47863	0.4
55.01878	0.4
55.05493	1.7
57.07063	1.3
67.05500	3.2
69.03421	0.6
69.07079	3.1
69.66983	1.1
69.67390	1.7
71.08635	0.6
79.05506	2.9
79.31747	0.4
80.33496	0.4
80.77292	0.4
81.07062	2.4
83.04986	0.6
83.08607	1.3
91.05513	0.5
93.07024	1.1
94.07845	0.9
95.04971	0.8
95.08601	7.7
97.10138	1.2
105.07019	1.7
107.04960	9.8
109.06547	0.7
109.10159	1.4
111.11713	0.7
115.66824	0.4
119.08610	0.4
121.06557	2.0
121.25739	0.4
122.07288	16.3
123.08076	8.2
123.11675	0.6
135.08028	4.5
137.05994	1.2
138.06779	1.7
139.07553	0.4
145.10117	0.9
149.09637	1.2
150.06766	47.6
151.07544	79.9
152.08028	5.2
163.07538	3.8
163.11142	1.5
164.08359	1.6
167.07030	1.4
173.09641	1.2
175.07495	2.8
176.08316	0.9
177.09087	2.8
182.42642	0.5
189.09113	0.6
191.08937	1.2
191.10674	24.2
196.78384	0.5
204.02649	0.5
205.12407	0.6
207.84634	0.4
306.42026	0.5
414.34912	5.1
432.35989	100.0
433.36337	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	433.1129
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
54.09369	0.7
55.01852	0.7
57.03444	3.7
57.03661	0.7
68.99760	0.7
70.36771	2.8
71.04993	26.5
73.02902	0.7
81.23288	0.7
85.02432	1.6
85.02908	24.7
98.20789	1.0
111.00816	0.9
120.13472	0.7
121.02870	3.8
129.05476	4.6
153.01849	4.5
165.01808	2.0
213.05524	1.4
241.04993	1.4
258.05267	1.4
287.05496	100.0
288.05862	2.3
329.06497	1.3
334.35196	0.7
422.93515	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01876	0.5
67.05885	0.1
68.99813	0.3
69.03435	0.2
69.22074	1.0
81.03456	0.1
83.82996	0.1
85.02896	0.3
91.05460	0.5
93.07031	0.1
95.08607	0.2
98.21513	0.2
106.50297	0.1
107.08621	0.1
109.02872	0.2
109.10145	0.2
119.04940	2.0
119.08656	0.1
120.08199	0.1
121.02852	0.7
127.03899	0.2
129.01843	0.2
145.02820	0.6
147.04443	0.2
153.01840	4.9
163.03905	0.5
167.10732	0.3
169.06526	0.1
171.02936	0.5
185.11784	0.3
187.03879	0.1
199.69789	0.1
203.07217	0.2
211.03983	0.1
225.05511	0.3
229.04973	0.3
243.06520	0.4
247.06065	0.2
271.06024	100.0
272.06366	1.9
287.05505	0.1
433.11722	0.5
433.17075	0.2
442.37451	0.1
456.74768	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	432.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60992	1.4
53.73865	1.4
54.12843	1.2
55.01864	2.8
57.03439	45.8
61.02932	9.6
69.03075	2.7
69.03429	37.5
71.01353	6.0
71.04996	8.7
71.56872	2.4
73.02921	100.0
81.03405	5.3
81.07079	2.5
85.02907	61.8
87.04463	5.2
91.03944	1.9
91.05469	4.7
93.07059	3.1
95.04951	2.7
97.02280	3.1
97.02894	57.6
97.72762	1.6
99.04462	3.1
103.05470	3.1
107.04945	5.3
109.02866	4.1
115.03934	60.4
119.08589	1.8
121.02854	1.6
121.06509	73.8
127.03911	19.0
129.05487	1.9
132.05544	1.3
132.06557	2.8
133.04980	17.2
133.06502	2.9
144.06500	3.3
145.04979	17.5
145.06093	2.3
145.06499	2.3
147.08089	1.9
150.07635	11.5
153.01781	1.9
157.06436	2.1
163.05995	4.3
163.07462	2.6
180.08670	5.0
184.14009	1.5
194.08186	1.8
217.70258	1.6
223.05972	2.9
223.28741	1.4
241.07065	6.0
251.30595	1.5
259.08035	3.2
287.05515	28.4
295.10327	2.6
300.05731	2.9
315.39532	1.4
325.10617	1.4
326.07397	1.7
354.06824	3.2
394.86380	1.6
444.85098	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17650	1.3
55.01862	2.6
57.03443	44.5
59.04993	1.3
60.15087	1.5
61.02932	13.9
69.03075	2.6
69.03432	37.8
69.81245	8.0
71.01349	4.3
71.04989	5.7
73.02922	100.0
81.03410	3.8
82.17604	1.3
85.02910	57.9
87.04465	5.3
91.03958	1.6
91.05495	1.9
93.07037	4.2
95.04989	2.1
96.04494	1.6
97.02898	58.6
98.20809	1.8
99.04453	2.3
103.05495	2.3
107.04929	4.4
109.02859	4.3
115.03934	58.7
121.02885	2.1
121.06510	72.7
122.69725	1.4
127.03899	16.9
132.06558	5.3
133.04980	18.1
133.06522	3.3
144.06599	2.3
145.04956	19.7
145.06386	3.2
147.08072	2.3
150.07637	12.0
151.32193	1.5
157.06419	1.7
162.07686	2.2
162.40117	1.3
163.06058	5.1
163.07545	2.4
175.14798	1.9
180.08685	5.0
184.13271	2.5
193.05063	1.6
213.17215	1.4
223.06039	4.6
241.07063	3.8
259.08145	3.4
287.05481	21.6
300.05777	3.0
382.84766	1.5
416.72061	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27358	2.3
53.60395	2.3
56.96564	4.2
71.55711	2.8
85.02911	6.7
88.02227	3.2
91.05490	7.3
98.97591	8.5
99.77711	2.5
103.05472	7.9
109.02867	2.9
110.97603	3.0
116.98614	3.3
117.49050	2.9
119.04906	4.9
120.08120	100.0
124.03976	36.3
128.98553	3.4
131.04965	2.7
138.09007	2.6
147.04395	12.8
148.03954	11.6
163.03870	6.2
166.05022	31.0
166.08665	50.4
178.76514	2.5
184.06091	28.0
237.02750	6.3
270.13501	2.9
281.10251	5.3
432.11145	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	432.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61570	0.2
53.03936	0.4
67.28908	0.2
69.77286	1.3
71.04993	0.8
78.03500	0.2
80.05025	2.9
85.02908	1.4
87.63971	0.2
96.04497	2.5
98.20901	0.5
98.21477	0.4
119.73402	0.2
124.03965	100.0
125.04315	0.9
129.05472	0.5
140.07620	0.2
147.04396	0.2
163.03842	0.2
240.60468	0.2
457.90533	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91153	1.4
53.03947	5.3
55.01870	12.6
55.05515	100.0
57.03433	2.1
59.05003	3.3
65.03954	2.4
67.05511	50.4
69.03427	8.4
69.06721	1.8
69.07076	25.6
69.49177	10.2
71.04977	1.8
73.06554	2.7
79.05502	67.0
81.03426	2.0
81.07066	46.1
83.04993	8.1
83.08629	44.0
85.06545	3.6
91.05483	29.7
93.07056	27.2
95.04971	4.0
95.08619	13.4
97.06541	2.8
97.10178	96.2
103.05469	8.5
105.03404	4.1
105.07032	19.1
107.04956	4.2
107.08607	47.1
109.06525	4.9
109.10160	11.8
111.08093	5.6
115.05458	7.7
117.07030	27.4
119.08553	9.4
121.06490	2.7
121.10142	5.0
123.08061	3.8
125.09641	99.4
128.06232	5.5
129.07027	20.7
131.04932	7.7
131.08580	19.9
133.06502	10.7
133.10165	4.9
135.08069	29.7
137.09636	3.2
141.07016	8.9
142.07791	2.0
143.08582	15.7
145.06471	20.2
145.10120	10.5
147.08044	5.8
147.11746	2.7
149.09654	6.0
153.07054	1.9
153.09103	20.1
154.07851	2.3
155.08598	15.3
157.06454	7.2
157.10132	8.5
157.12210	12.5
159.08076	10.2
159.11694	3.2
161.09592	1.8
165.07036	2.3
167.08577	6.0
169.10129	10.6
171.08118	7.1
171.10165	6.5
171.11714	6.9
173.09653	3.6
179.08629	2.2
181.10120	4.2
183.08035	2.1
183.11700	4.0
185.09642	4.8
185.11722	2.6
185.13268	4.6
187.11259	2.0
187.14876	2.8
191.08542	2.1
193.10133	2.5
195.08073	1.9
195.11688	7.9
197.09621	3.4
197.13283	9.7
199.11220	2.2
203.12796	74.2
207.11772	4.2
209.13275	4.1
211.11333	2.2
213.12772	10.3
215.14339	47.0
219.11679	1.8
221.13382	2.9
223.11130	4.8
225.12889	3.1
227.14304	1.8
231.13887	2.6
233.13266	2.7
237.12770	4.3
239.14308	3.0
241.12282	7.3
245.15450	4.5
247.16899	9.3
251.14313	4.1
253.16025	1.8
255.13898	3.4
257.15506	3.2
269.15253	3.7
273.14841	9.7
283.17047	2.2
287.16327	2.2
291.16125	1.7
293.10159	1.5
321.22119	3.3
331.20532	4.9
339.23193	4.0
349.21652	22.1
367.22702	31.9
371.25970	4.1
381.24243	14.6
399.25342	74.8
400.25113	2.5
400.87607	1.7
413.27112	1.5
431.27963	76.1
432.28329	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	431.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03369	1.6
53.03934	4.3
55.01881	12.4
55.05516	15.0
57.03433	4.0
63.26542	1.5
65.03939	4.0
67.05510	50.8
69.03414	5.4
69.07072	27.8
69.51433	5.1
69.51858	7.7
71.04999	8.2
79.05501	40.8
81.03430	18.6
81.07066	46.4
83.04990	10.8
83.08611	5.7
85.02890	2.8
85.06526	6.5
91.05490	58.9
93.07055	28.9
95.04980	24.6
95.08607	22.0
97.02898	1.8
97.06534	10.4
97.10160	3.5
99.04459	3.1
100.58983	1.9
103.05451	1.7
105.03371	2.2
105.07037	45.7
107.04967	14.6
107.08608	30.2
109.02889	3.9
109.06555	9.3
109.10165	35.7
111.04438	2.5
111.08091	2.2
113.05943	2.7
115.05444	4.4
115.07552	1.7
117.07028	14.4
117.99126	1.7
119.04924	2.4
119.08624	14.8
121.02833	2.3
121.06514	7.7
121.10123	6.0
123.04464	4.0
123.08089	4.2
123.11707	6.0
125.05962	6.4
125.09607	2.3
127.07529	2.4
128.06215	4.7
129.07004	12.3
129.08658	1.8
131.08586	15.3
133.06494	7.2
133.10143	49.1
135.04488	2.0
135.08064	15.8
135.11684	4.3
137.06010	2.3
137.09648	9.8
141.06982	2.2
142.07813	1.9
143.07031	7.2
143.08588	12.5
144.26855	1.6
145.06506	9.9
145.10136	6.4
147.04414	4.1
147.08052	6.9
147.11705	6.4
149.05952	2.0
149.09593	5.2
149.13281	3.9
151.07538	9.8
151.11201	31.3
155.08554	6.8
157.06544	3.7
157.10124	8.6
159.08029	8.5
159.11705	3.6
161.06024	4.5
161.09621	18.7
161.13255	1.8
163.07553	17.0
165.09081	8.3
167.08641	4.0
169.10123	5.3
169.12201	3.5
171.08052	3.0
171.11743	6.5
173.06146	2.0
173.13255	2.6
175.11209	5.5
177.09152	7.0
179.10722	8.3
181.10081	3.7
183.11734	3.8
185.09607	3.4
185.13280	5.1
187.11137	4.0
187.14859	1.8
191.10641	4.5
193.12230	2.1
195.10051	1.9
195.11714	4.2
197.09703	3.4
197.13234	3.3
199.11172	4.8
201.09131	3.7
203.10646	3.4
209.13361	2.4
211.11296	1.9
213.12729	4.7
215.10741	3.2
215.12662	3.3
215.14471	3.6
227.10666	5.1
231.13895	2.9
241.12282	4.4
249.14761	2.1
259.13303	5.8
273.14737	2.2
293.19040	2.3
311.20160	8.0
321.18573	4.8
329.21274	8.4
339.19568	31.1
357.20627	55.1
358.21082	2.6
359.06693	1.9
375.21713	3.8
413.23218	7.5
413.30771	2.8
414.58353	2.7
425.84668	1.9
431.24286	100.0
432.24655	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	431.2432
Annotation	CJ 15544
Peak:m/z	Relative Intensity
51.49684	1.7
53.03939	4.7
55.01878	13.8
55.05309	1.6
55.05519	17.8
57.03424	5.2
59.36009	1.8
65.03929	3.2
67.05180	3.3
67.05509	40.5
69.03413	3.9
69.07070	15.2
71.04987	3.8
71.30968	3.1
79.05499	43.8
81.03423	11.9
81.07063	46.7
83.04980	8.1
83.08620	8.2
85.02910	1.7
87.72991	1.5
91.05493	34.9
93.07059	23.0
95.04972	32.6
95.08049	2.7
95.08616	37.2
95.09184	1.3
97.06541	4.0
97.09600	1.5
97.10160	10.4
99.04421	2.0
103.05460	3.5
104.95692	1.8
105.03407	2.9
105.07042	33.8
107.04976	13.1
107.08607	20.7
109.06528	15.9
109.10162	18.9
111.04428	2.1
111.08063	3.6
115.05458	5.8
117.07040	13.5
119.08595	18.5
121.02908	2.3
121.06529	11.3
121.10143	7.8
123.04446	4.3
123.08073	30.0
123.11668	2.9
125.05983	2.7
125.09630	8.6
127.03905	2.9
128.06230	5.9
129.07030	9.2
130.07791	1.6
131.04958	2.4
131.08601	13.1
133.06487	6.7
133.09375	2.1
133.10147	20.0
135.08040	6.4
135.11671	6.7
137.05951	2.3
137.09637	10.2
141.07010	4.0
143.07045	3.9
143.08572	12.6
145.06493	7.9
145.10135	10.0
147.04391	3.7
147.08038	7.5
147.11656	5.0
149.05988	2.5
149.09651	6.5
151.07555	7.7
151.11224	8.3
153.09143	2.2
154.07735	2.2
155.08536	5.8
157.06573	2.9
157.10132	8.0
159.02625	1.8
159.08078	4.1
159.11693	7.7
161.09615	7.7
163.07585	7.1
163.11244	10.2
165.09128	70.3
167.08482	4.1
169.10107	7.0
169.12317	2.5
171.08051	6.7
171.11703	4.6
173.09636	3.5
175.11234	5.1
177.09132	1.8
179.10683	2.3
181.10175	2.6
183.11740	2.4
185.09665	7.2
187.11195	14.5
189.09239	2.5
189.11111	3.6
191.10663	2.1
193.12207	2.5
195.10078	2.3
195.11752	2.4
199.11191	5.0
205.12271	8.8
209.09659	2.5
211.11224	3.1
213.09018	2.3
213.12808	2.3
223.13313	2.6
227.10701	5.0
231.10358	2.1
231.13892	3.1
233.15561	1.9
241.12231	2.4
245.11775	3.5
249.21922	2.1
287.19907	2.1
297.18533	2.1
311.20166	10.3
315.19492	2.0
321.18521	6.9
329.21167	17.2
339.19577	43.3
357.16489	3.3
357.20624	44.0
375.21597	3.4
413.23074	5.3
431.24255	100.0
432.24493	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.9
57.07075	2.6
58.07397	0.6
62.96267	0.4
65.50189	0.4
67.05509	3.3
69.07054	0.8
71.08646	2.3
71.24242	0.8
72.45476	0.5
79.05468	0.5
81.07041	1.6
85.10183	0.6
91.05517	0.6
93.07034	1.5
95.08622	0.7
102.59866	0.4
107.08628	0.8
109.10163	4.7
119.08588	2.9
121.06506	8.8
121.10132	0.5
122.07257	1.4
135.08037	1.1
136.08833	12.1
137.09619	12.2
145.10101	0.6
149.05972	0.6
149.09607	2.8
150.09964	0.7
150.84262	0.5
151.07550	0.7
152.08340	1.4
163.11172	2.2
164.08339	33.7
164.11452	1.0
165.09114	100.0
166.09435	5.6
173.09668	0.5
175.11137	0.9
177.09082	2.5
177.12839	0.8
178.09538	0.8
187.11125	0.7
190.09863	0.9
191.10686	1.4
192.11110	0.6
205.12231	8.7
206.12572	0.9
209.47795	0.5
218.99632	0.5
219.13779	0.5
220.14262	0.7
238.85117	0.5
321.41229	0.4
337.10449	0.5
430.38034	87.1
431.38278	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	431.2431
Annotation	CJ 15544
Peak:m/z	Relative Intensity
53.03945	8.4
53.73801	2.7
55.01867	10.9
55.05516	25.0
57.03424	9.2
61.72941	2.6
65.03944	5.0
67.05169	4.2
67.05506	57.6
69.03417	4.0
69.07068	78.7
69.71401	18.2
69.88467	2.5
71.04957	5.0
71.75002	2.6
73.06524	4.5
79.05492	81.7
81.03403	13.8
81.07059	59.6
83.05006	4.7
83.08616	13.5
85.02905	6.3
85.06559	4.0
91.05479	67.1
93.07049	40.3
95.04973	14.7
95.08620	33.7
97.06533	28.4
97.10168	7.2
98.21474	5.4
99.08055	2.7
103.05457	26.2
105.03382	6.7
105.07026	52.7
107.04961	13.2
107.08598	24.6
109.06515	10.1
109.10152	16.1
111.08072	5.6
115.05458	16.7
115.07571	3.9
117.07018	75.5
119.04964	3.8
119.08588	34.4
121.06514	7.0
121.10137	15.4
123.08087	5.7
123.11667	4.9
125.05996	15.5
125.09653	6.9
127.03851	2.7
128.06256	15.2
129.07005	51.6
131.04932	12.1
131.08575	49.1
133.06490	12.5
133.10078	13.5
135.08064	11.9
135.11681	6.7
137.09583	8.5
141.07007	25.2
142.07741	9.1
143.07039	46.8
143.08559	29.3
145.06473	27.8
145.10139	22.0
147.04364	2.9
147.07990	6.7
147.11729	7.6
149.09602	7.9
151.07642	3.2
153.05525	3.0
153.06947	4.3
153.09090	3.9
154.07828	6.9
155.06058	3.8
155.08549	32.4
156.09427	4.1
157.06500	15.0
157.10129	16.5
159.08060	4.7
159.11682	10.8
161.08087	7.8
161.09515	3.7
161.13243	4.0
165.07013	6.5
165.09100	4.8
166.07837	6.7
167.08536	15.4
168.09389	6.2
169.10118	24.0
171.08035	6.3
171.11667	25.1
173.09645	4.9
173.13237	9.6
175.11128	3.6
177.12674	3.0
179.08546	5.6
181.10103	15.0
183.11713	22.2
185.09662	7.6
185.13260	21.7
187.11163	7.4
187.14835	14.6
189.11028	2.7
193.10161	7.5
195.08131	3.6
195.11723	20.5
197.09550	8.0
197.13287	19.0
199.09651	32.4
199.11270	7.3
199.14832	5.2
203.14355	3.0
205.09929	3.6
205.15880	7.9
207.11694	5.1
209.13216	7.8
211.11176	6.7
211.14870	3.2
213.12801	19.1
215.14326	60.3
217.10548	4.1
223.11168	10.1
225.12675	4.2
231.13843	7.2
233.15343	4.6
235.14935	3.0
237.12820	4.1
241.12236	17.1
245.15648	2.9
255.13939	4.2
259.13324	18.1
271.16870	5.5
275.17969	5.2
287.16647	3.4
293.18930	6.2
303.17465	3.7
305.17282	2.8
311.19971	20.3
313.21652	11.5
315.15930	43.0
321.18390	16.7
333.16956	9.7
339.19592	25.9
357.20456	6.7
357.24316	5.8
375.25388	3.7
395.22049	6.1
413.23230	100.0
431.23917	71.0
432.24457	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	430.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.0
55.01870	2.7
56.89351	0.8
57.03431	2.3
57.21032	0.9
61.02921	2.4
64.30121	0.8
68.99777	2.7
69.03130	1.0
69.03437	13.1
70.06593	2.4
70.10565	2.5
71.04995	1.9
73.02908	4.0
81.03421	11.2
83.04979	0.8
85.02908	31.9
86.09704	3.1
87.00835	14.6
91.05455	5.1
93.33421	0.8
97.02899	16.5
99.04475	4.6
105.01870	17.1
109.02889	13.2
113.62177	1.0
117.01845	1.8
119.04940	19.1
127.03931	23.9
129.01842	1.4
131.45520	0.9
144.06584	1.3
145.04961	12.3
147.04419	100.0
148.04735	1.7
151.97626	0.9
159.02890	6.1
161.09178	2.1
165.05487	7.3
189.05472	2.1
231.04735	4.5
231.06978	1.3
235.10738	3.2
249.06158	1.3
255.06578	1.7
261.12360	6.9
337.97644	0.9
395.09641	4.6
413.11035	1.1
423.56894	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.9
53.90701	1.0
55.01876	2.7
56.72732	1.0
57.03446	1.3
60.04527	2.9
61.02940	1.1
65.03950	1.0
68.99815	1.7
69.03432	10.0
71.55888	1.5
73.02929	2.1
81.03419	9.3
85.02914	13.5
87.00835	5.8
91.03949	1.0
91.05447	12.8
97.02919	4.3
99.04491	2.8
103.05505	1.3
105.01882	2.8
109.02892	7.5
119.04952	36.2
121.06526	1.5
123.04469	4.3
127.03921	9.0
131.04926	1.2
136.07588	69.8
137.08003	1.0
145.04993	2.3
147.03290	1.2
147.04449	8.4
148.04755	3.2
159.02899	5.3
160.07578	1.3
163.03949	3.7
164.04376	2.8
164.07117	3.6
165.05475	6.4
167.05679	1.4
178.08673	2.7
182.08147	100.0
183.08472	1.7
213.47612	1.0
215.06125	0.9
224.09180	4.6
231.04973	1.0
272.09085	1.0
322.66891	1.0
360.02869	1.5
390.40579	0.9
394.11417	2.1
412.12543	3.3
430.13821	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3729
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05516	3.7
57.07081	17.5
65.48781	0.5
67.05508	4.3
69.07066	3.5
70.86872	0.8
71.08637	11.4
79.05502	1.9
81.07059	6.4
83.04967	0.7
83.08607	2.5
85.10177	5.7
91.05501	2.1
93.07042	2.0
95.08609	7.0
97.10178	1.5
99.11729	0.9
103.01765	0.5
105.07030	1.8
107.08578	5.0
109.10155	5.2
111.04453	0.6
111.11748	1.6
119.08576	3.6
121.06536	0.7
121.10144	3.1
122.07310	1.2
123.08054	1.4
123.11727	1.3
125.05984	1.1
131.08583	2.2
133.10159	1.6
135.08081	4.4
135.11674	2.2
137.05962	0.8
137.09615	8.8
139.07550	2.3
143.08508	0.8
145.10124	2.4
147.11763	0.6
149.09634	12.8
149.13202	1.1
151.07605	1.2
151.14745	0.7
159.08066	0.9
159.11717	2.3
160.08789	0.7
162.06763	0.7
163.11200	21.8
165.09123	100.0
165.16420	0.9
166.09496	1.6
173.09663	2.5
173.13252	2.0
175.07571	0.9
175.11188	6.0
176.08386	1.7
177.09129	10.7
177.12617	2.6
179.10712	1.8
186.10439	1.1
187.11197	2.3
187.14764	1.0
189.09041	0.8
189.12805	2.3
190.09946	1.2
191.10690	10.8
191.14375	0.7
193.12267	0.9
201.12733	3.4
203.10663	1.2
203.14304	0.9
205.12247	13.0
215.14326	1.5
219.13838	5.7
229.15878	0.9
233.15401	3.7
247.17012	2.1
261.18588	1.6
275.20117	1.5
289.21710	2.2
291.56662	0.6
303.23215	2.2
317.24789	2.0
331.26193	1.0
345.27847	1.0
359.29556	1.3
373.30804	1.4
401.34164	2.8
411.36282	2.1
429.37286	45.0
430.37671	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	69.2
57.03411	2.9
57.07087	23.5
59.05007	3.3
67.05505	23.7
69.07075	87.5
70.14795	5.7
70.15190	5.3
71.05000	4.5
71.08632	12.6
73.06576	3.4
79.05501	15.0
81.07069	52.0
83.04974	6.5
83.08630	75.4
85.06562	4.7
85.10179	6.1
91.05483	4.5
93.07050	30.8
95.08627	33.7
97.06543	18.4
97.09553	3.0
97.10178	60.8
101.06010	3.3
101.19993	2.7
105.07055	5.9
107.08618	39.5
109.10169	14.9
111.08099	11.4
111.11749	20.2
111.97112	2.9
113.09634	2.6
115.07587	5.9
115.11266	3.2
119.03591	2.6
121.10162	25.8
123.11725	8.5
125.09634	13.3
125.13273	6.6
129.09158	5.8
135.11703	10.1
137.13217	4.1
139.11203	5.7
139.14821	3.8
143.10687	3.0
157.12163	3.3
160.54610	3.1
163.14842	100.0
165.09137	5.5
167.07080	20.6
174.59084	3.6
181.15901	82.0
199.16940	49.9
213.22137	5.3
231.23227	6.0
233.80420	2.7
235.91069	2.7
253.68503	3.3
272.60638	2.7
307.41293	3.1
385.14481	5.2
401.17322	3.5
413.13907	5.7
414.14954	5.5
415.15427	3.3
429.16675	45.7
429.33215	3.5
430.17471	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	429.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	13.2
55.01867	7.0
55.05521	21.0
56.09473	4.0
57.03433	13.9
67.05511	23.2
68.98827	3.1
69.03430	30.0
69.07066	7.4
69.17661	3.0
69.27834	7.7
69.28241	26.6
71.04993	7.5
73.02941	3.8
79.05508	20.3
81.03424	99.0
81.07064	27.9
83.04991	22.4
83.08632	25.2
85.02898	25.0
91.05441	27.8
93.07053	24.1
94.94137	3.1
95.04976	31.1
95.08589	14.7
97.02910	54.7
97.06536	5.1
97.10166	8.8
97.81834	3.5
99.04461	7.3
99.08095	4.1
101.02368	5.5
105.07016	23.1
107.04942	8.2
107.08599	12.9
109.02871	16.1
109.06539	4.3
109.10150	9.7
110.95787	3.1
111.04429	11.3
111.08082	14.1
113.05985	3.5
117.07037	4.8
119.08589	16.9
121.06523	5.3
121.10149	11.3
123.08049	4.3
125.84988	3.2
127.03925	16.3
128.06195	3.2
129.05482	4.9
129.07005	12.7
131.08566	10.8
133.06465	4.2
133.10124	14.4
135.11670	4.6
137.09610	4.9
139.03934	5.2
145.04836	3.6
145.10080	6.0
147.08148	3.8
147.11679	15.5
149.02376	17.2
149.09592	8.4
157.10146	17.0
163.11230	5.8
165.12811	4.8
175.11189	18.5
179.70421	3.6
183.06439	3.7
191.10617	5.0
193.04977	16.7
193.12257	82.1
205.08659	3.6
211.13319	100.0
227.12804	5.5
229.14494	4.8
237.07535	5.9
249.14969	9.3
251.12860	3.6
267.16125	3.5
270.40018	3.9
282.59528	3.9
285.16934	18.2
301.14453	4.4
343.19122	4.4
355.17697	5.2
359.02878	9.2
385.09357	5.1
393.19180	3.7
411.20300	4.4
429.11725	9.7
429.20541	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2486
Annotation	Nummularine F
Peak:m/z	Relative Intensity
55.01874	4.9
55.05513	16.5
59.39165	3.2
60.41753	3.1
67.05507	20.7
68.99782	12.7
69.07062	14.6
71.04988	3.4
73.04732	2.8
79.05492	14.7
81.03409	5.4
81.07060	37.5
82.67153	3.1
83.04974	5.9
83.08604	12.3
83.38004	3.4
85.02908	9.1
88.99957	2.8
91.05435	17.3
93.07050	19.4
95.04971	7.3
95.08614	30.8
97.06512	9.6
97.10154	7.7
105.07041	15.8
107.08582	15.6
109.02902	5.7
109.06512	4.6
109.10125	18.6
111.00787	19.2
111.04421	6.8
111.08096	5.2
117.07008	3.9
119.08595	16.0
121.06454	3.5
121.10142	13.4
123.08089	7.2
123.11692	9.3
125.05992	8.7
125.09639	4.6
127.03914	14.7
131.08577	6.8
133.06544	3.7
133.10103	13.1
135.08049	3.8
135.11700	6.4
137.05919	3.7
137.09569	4.6
139.03908	22.2
139.07451	4.8
145.10143	5.9
147.11696	8.8
149.02377	26.5
149.13304	5.7
151.07552	7.0
152.96574	2.7
153.05482	4.1
155.08611	3.0
159.11647	5.2
161.09647	3.2
163.07561	3.8
163.11162	6.2
165.09140	7.0
165.12790	3.7
167.06961	4.8
171.11754	3.8
175.14742	2.8
177.09106	6.0
179.10689	3.7
181.12283	5.0
189.12701	3.2
189.16371	6.2
193.04953	19.7
199.14986	4.3
207.17538	4.0
213.16367	4.1
229.09203	4.0
237.07555	6.8
238.41820	3.2
259.16916	3.5
277.17917	4.0
291.19568	13.0
301.18051	5.2
319.19070	100.0
320.19476	6.6
337.20117	13.6
359.02890	5.8
385.09341	6.5
409.57635	3.5
411.23911	23.1
411.33118	5.6
429.11670	23.5
429.19141	6.4
429.29800	11.2
438.81793	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	429.2097
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
54.48152	0.5
69.03429	1.7
70.06583	1.2
71.04980	0.6
71.55460	0.7
71.55843	0.5
73.04745	1.6
74.79605	0.5
79.82172	0.5
81.03439	3.8
85.02908	2.1
86.09703	0.8
91.05790	2.5
93.07048	0.6
95.04986	0.9
97.02919	0.9
99.04461	1.1
109.02899	0.9
119.05013	0.7
119.08595	0.6
121.02884	0.9
127.03954	1.0
133.02835	0.7
133.10123	0.7
135.04413	0.7
135.09175	1.6
145.04997	0.6
147.04413	1.4
147.09186	8.4
150.07890	0.6
161.03036	0.6
162.63292	0.5
163.03825	1.2
163.07452	1.1
163.08688	10.0
163.11127	1.0
167.05550	1.2
175.08676	12.9
175.86429	0.6
178.18222	0.6
179.03430	2.3
181.03833	1.1
197.01320	0.6
205.09763	0.7
243.11423	0.8
249.15088	0.8
259.84500	0.6
261.12228	0.8
267.14563	1.3
279.13406	2.7
297.14496	9.0
309.15140	1.0
322.14111	1.8
340.15033	3.3
359.02902	1.8
386.15625	0.9
411.19574	14.1
429.21002	100.0
430.21274	3.6
436.04965	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2098
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
59.33712	0.4
63.25792	0.5
69.03423	1.5
70.06585	0.8
71.56296	0.6
73.04778	0.5
79.05506	0.5
81.03421	1.4
85.02927	2.8
86.09748	0.6
87.00830	0.8
87.08212	0.5
91.05795	1.4
93.06982	0.5
97.02924	1.0
103.07568	0.5
104.98817	0.5
105.01881	1.3
109.02914	0.6
111.85527	0.5
119.04919	0.5
127.03912	1.2
137.06087	0.5
147.04436	2.1
161.13258	0.5
163.11227	1.2
167.05534	0.7
179.03381	0.6
203.05325	1.5
223.09822	0.5
227.83199	0.5
237.09006	0.5
249.14828	0.6
253.67442	0.5
267.15927	0.6
359.03247	1.0
411.19897	18.3
429.21036	100.0
430.21329	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08182	1.6
52.72261	1.6
53.03949	4.0
55.01870	7.3
57.03427	6.8
61.02921	4.2
62.22347	1.5
68.99791	4.2
69.03436	35.9
69.75547	6.9
69.75954	3.6
71.04984	5.3
73.02917	4.2
73.61734	1.9
81.03428	29.5
81.07059	3.0
84.58580	1.7
85.02911	100.0
87.00840	38.3
97.02904	39.1
98.21449	3.4
99.04467	15.9
99.08128	2.5
105.01878	61.1
109.02895	37.3
109.03613	1.7
117.01857	3.7
117.09124	12.2
123.04440	5.8
127.03933	73.3
129.01817	3.6
133.02835	3.2
135.04417	2.5
143.04822	1.7
145.04968	29.6
147.02910	2.4
147.04353	3.2
149.86845	1.6
150.07771	10.9
151.08202	3.7
159.02908	15.6
163.09676	2.4
164.30402	1.8
173.08075	2.5
177.05481	2.1
179.03423	32.7
180.03748	28.5
180.06564	2.1
195.11285	5.9
213.03943	4.3
219.37302	1.8
224.24431	2.2
231.05038	27.8
249.06122	4.9
253.10707	2.9
288.01926	1.9
329.12366	2.4
367.29645	1.8
428.19452	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.4
55.01867	3.1
55.05515	6.1
57.03433	1.9
57.07074	8.7
61.02914	2.6
65.86996	0.6
68.99758	0.9
69.03439	12.2
69.45279	4.1
69.45680	1.4
71.04979	2.4
73.02903	2.4
81.03420	12.1
83.08613	2.9
85.02913	31.6
87.00842	13.2
89.05481	1.4
89.06033	27.8
93.65743	0.6
97.02905	11.3
98.21563	1.3
99.04478	5.3
101.09669	10.6
105.01885	10.0
107.07079	29.3
109.02890	11.5
117.01851	1.5
127.03928	19.8
129.01849	1.2
139.06305	0.6
145.04951	7.8
145.12196	1.2
147.02936	0.8
154.81232	0.8
159.02895	6.8
163.13307	100.0
213.03932	2.9
222.08728	0.6
229.27548	0.8
231.04950	3.6
262.56879	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22993	1.1
52.34249	1.1
55.04554	1.1
55.05517	11.1
57.07083	6.4
63.99652	1.3
67.05507	6.9
69.06723	1.9
69.07073	26.7
71.08630	4.4
74.16649	1.0
77.27695	1.2
79.05497	1.5
79.35699	1.2
81.07068	9.7
83.08620	11.3
91.05487	2.9
93.07036	4.0
95.08607	10.2
97.10165	6.1
105.07043	2.5
107.08601	6.6
109.10161	10.3
111.11698	2.3
119.08575	3.5
121.10155	4.2
122.07269	1.7
123.11725	3.6
131.08595	1.4
132.22200	1.4
135.08099	2.8
135.11667	2.1
137.09590	9.9
137.13228	2.6
140.58267	1.2
145.10123	2.2
149.09648	11.3
149.13309	1.7
151.07524	1.7
159.11711	2.5
161.09761	2.5
163.11220	7.2
165.09125	100.0
167.07082	4.0
173.09534	2.2
175.11229	2.8
177.09152	6.8
177.12772	1.6
179.10712	1.9
186.10483	2.0
187.11165	1.6
189.09091	3.2
189.12685	1.8
191.10707	6.9
201.12903	1.8
203.10730	6.6
205.12276	10.9
217.12251	1.6
219.13951	2.1
306.50998	1.2
345.27951	1.6
371.11612	1.2
399.32541	1.5
427.30746	1.4
427.36243	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	427.2329
Annotation	Sinulaflexiolide C
Peak:m/z	Relative Intensity
55.05514	7.2
55.28177	1.4
57.07073	1.8
60.15242	1.4
67.05496	8.9
68.99809	3.5
69.07063	7.6
69.26816	1.6
75.38782	1.5
79.05497	6.9
81.03400	2.0
81.07059	13.9
83.08631	7.6
83.88140	1.6
85.06560	2.7
86.09710	16.4
87.10038	1.9
91.05479	4.4
93.04498	1.6
93.07044	6.4
95.08617	14.5
97.06508	4.5
97.10177	5.6
98.20779	3.6
105.07010	2.5
107.08621	5.9
109.10200	4.0
110.07183	7.4
111.00799	10.5
111.08104	2.8
117.07083	2.7
118.06538	2.8
119.08614	2.5
121.10154	6.4
123.11778	1.6
123.52447	1.5
127.03922	100.0
131.08542	2.1
133.10205	1.9
136.07588	2.6
139.03923	3.5
143.08673	1.7
146.06033	2.2
161.13300	2.1
163.14839	5.0
165.09268	1.8
169.53593	1.5
173.13350	2.1
188.14320	2.1
223.17010	1.8
265.18182	4.2
293.17462	12.4
307.18991	2.7
317.17471	3.6
335.14471	3.9
335.18530	75.5
336.19031	3.2
409.22473	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	427.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	13.4
55.01871	8.2
55.05510	61.4
56.91628	4.4
57.03436	4.5
57.07080	30.4
60.78828	4.3
67.05508	81.1
69.03428	42.8
69.07072	67.9
69.43685	13.3
69.44104	23.4
71.04972	6.5
71.08645	11.0
79.05498	40.8
81.03423	76.0
81.07063	100.0
82.20351	4.4
82.89963	4.8
83.04964	14.8
83.08632	41.4
84.59590	4.0
85.02914	27.1
85.06541	6.7
85.10178	10.5
91.05498	17.8
93.07042	46.3
95.04969	13.3
95.08606	91.8
97.02904	22.0
97.06523	14.5
97.10181	28.2
99.04459	19.5
99.08096	6.0
105.03225	4.7
105.07026	16.8
107.08597	30.6
109.02889	12.0
109.06542	5.0
109.10153	36.7
111.04431	14.3
111.08112	9.0
111.11714	10.4
113.09622	6.5
117.07046	7.3
119.08577	16.5
121.06502	8.7
121.10138	30.1
123.08094	5.1
123.11694	16.8
125.09619	5.4
127.03918	14.1
131.08543	11.9
133.06548	6.4
133.10141	9.3
135.11713	29.9
137.13272	7.2
143.08585	8.7
145.04929	5.9
145.10109	6.6
147.11684	11.6
149.13264	9.9
151.14807	5.4
159.11670	7.2
161.13222	5.6
173.13304	6.9
175.14896	6.3
191.14313	7.6
191.51219	5.0
209.05406	5.0
247.24176	8.0
265.25314	23.6
293.24808	10.1
305.24695	7.6
323.25403	5.6
324.32593	22.0
345.27805	7.1
355.26288	8.6
373.27307	33.8
391.28372	19.3
409.29471	18.6
427.19598	8.9
427.31424	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	427.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04556	0.5
62.04419	0.3
68.46902	0.3
69.03415	0.5
70.08191	0.3
71.44897	0.5
81.03402	0.5
85.02898	1.3
87.00806	0.5
94.04084	1.6
95.04993	0.6
95.08615	0.4
97.02898	0.4
99.04458	0.4
109.02876	0.6
115.13401	0.3
123.04427	2.0
123.06650	0.9
127.03910	1.2
127.32173	0.3
133.02847	1.5
133.05034	0.4
139.03905	0.6
147.04395	0.3
150.07762	100.0
151.03946	0.4
151.08081	0.6
159.02942	0.4
163.03860	0.5
179.03410	18.5
180.03749	0.3
202.54865	0.3
209.15349	0.4
213.73282	0.3
222.93484	0.3
231.04712	0.3
234.99028	0.3
259.06232	0.4
282.12057	0.7
289.32187	0.3
295.11523	21.8
300.36511	0.3
351.82101	0.3
427.19257	1.2
445.17953	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.4
55.01864	6.3
55.05497	16.5
57.07066	13.6
67.05508	29.3
68.99791	6.7
69.03428	54.1
69.07047	15.7
71.04983	8.3
71.56625	4.5
71.57043	3.6
79.05503	5.1
81.03416	63.6
81.07057	56.8
83.04980	6.4
83.08614	12.6
85.02904	50.8
86.09711	28.2
87.00822	22.7
91.05482	10.0
93.07018	15.0
95.04980	9.1
95.08608	63.9
97.02912	17.0
97.06506	3.8
97.10178	10.3
99.04433	18.4
99.08074	4.5
103.03966	3.9
105.01882	4.6
105.07007	11.4
107.08588	15.7
109.02892	48.2
109.10160	64.2
110.07173	13.2
111.04411	6.3
115.03946	4.6
119.08551	13.1
121.10130	16.2
123.08076	4.2
123.11720	55.9
125.04321	3.7
127.03918	100.0
129.01830	5.0
131.08588	5.3
133.10138	9.9
135.11705	6.0
136.07607	4.2
137.13232	15.3
145.04906	5.1
145.10095	5.0
147.11757	4.5
159.11685	6.2
161.09529	4.7
161.13220	6.4
171.11617	4.3
175.14801	7.6
177.16370	15.5
179.17986	35.0
189.16423	5.0
201.16185	5.5
211.14763	3.7
213.03900	10.5
231.04955	25.6
269.18954	8.9
287.20193	6.6
391.20999	6.0
409.22766	4.6
427.18701	8.0
450.73294	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	427.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01874	0.7
57.03429	0.6
60.36229	0.2
66.02132	0.2
67.00745	0.2
68.99787	0.3
69.03439	2.7
69.70116	1.0
70.74086	0.2
71.04996	0.4
73.00787	0.2
73.02917	0.8
77.70352	0.2
81.03423	2.9
85.02910	5.2
87.00848	2.0
89.03923	0.3
95.43933	0.2
97.02905	1.8
98.21477	0.4
99.04473	0.9
105.01885	1.5
105.03384	0.6
109.02892	4.0
110.54681	0.2
117.03381	0.5
123.04443	9.1
127.03940	4.9
129.01865	0.3
133.02864	9.2
135.04430	1.5
145.04977	1.4
147.02890	0.4
151.03943	4.0
159.02904	1.9
179.03412	100.0
180.03720	1.1
213.03928	0.3
231.05049	0.7
247.16989	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	5.2
57.07079	1.8
64.60381	1.4
67.05518	3.3
69.07066	6.6
69.28584	13.8
70.06584	1.5
71.08656	6.9
71.08965	1.3
72.08172	3.5
79.05472	3.1
81.07047	7.1
83.05032	1.5
83.08619	4.8
84.08139	3.1
86.06095	9.4
86.09693	11.8
91.05482	3.2
93.07042	2.7
94.06540	1.6
95.08599	3.2
96.08126	5.5
97.10165	1.5
98.06086	2.0
98.09702	7.0
99.08086	3.6
107.08559	2.5
108.08150	2.4
109.10172	2.3
109.24998	1.3
110.07153	5.7
110.09700	2.4
111.08109	1.4
116.09426	1.4
116.10016	2.4
116.10751	38.2
122.09661	3.4
143.10664	5.7
149.13246	5.0
154.15913	3.0
161.78307	1.4
196.16982	10.1
214.18048	100.0
239.45116	1.4
255.99666	1.6
256.19037	2.2
257.17450	4.7
291.15491	1.6
292.22839	2.4
310.23819	13.0
328.24863	56.0
329.25061	1.8
408.31180	2.1
426.32071	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	427.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.4
53.03939	1.1
55.01868	0.5
57.03434	0.3
61.02927	0.3
61.90783	0.2
62.85663	0.2
63.33969	0.2
67.75378	0.2
68.99796	0.4
69.03434	3.4
70.13125	0.8
71.04993	0.3
73.02917	0.5
77.03944	0.5
79.05517	0.3
80.56473	0.2
81.03041	0.3
81.03429	2.9
85.02913	5.2
87.00844	1.6
89.03911	0.6
91.03907	0.3
93.07078	0.3
95.04949	0.5
97.02904	1.7
98.97594	0.5
99.04459	1.1
105.01871	1.3
105.03410	0.6
109.02886	4.1
117.01923	0.3
117.03416	0.4
121.10141	0.4
123.04439	9.9
127.03927	5.1
129.01833	0.5
133.02869	8.1
135.04405	1.6
137.02385	0.4
145.04944	1.2
147.02881	0.4
147.04469	0.3
150.07785	0.3
151.03912	3.2
159.02905	1.6
179.03407	100.0
180.03754	1.5
223.13110	0.3
231.05104	0.8
247.06064	0.4
247.17015	0.5
257.05142	0.2
283.08578	0.3
324.86615	0.2
345.67249	0.3
364.38992	0.2
375.82477	0.2
427.13962	0.4
427.19397	3.4
431.18652	0.3
435.89511	0.3
445.18860	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	7.1
55.01868	7.5
55.05520	24.6
55.05735	5.7
57.03424	6.7
57.07074	11.4
65.45423	3.5
67.05174	7.1
67.05510	86.7
68.99807	3.3
69.03436	33.4
69.07072	29.5
70.45160	9.3
71.04990	9.0
71.08632	10.2
71.55045	3.3
79.05504	45.0
81.03427	50.2
81.07063	100.0
83.04974	14.7
83.08615	17.1
85.02910	11.5
85.06559	5.3
87.09183	4.2
91.05482	34.4
93.07053	52.7
95.04964	18.4
95.08616	67.6
97.02875	16.2
97.06524	9.2
97.10167	11.4
99.04448	10.0
105.07046	35.4
107.04964	8.7
107.08615	33.7
109.02907	6.6
109.06503	6.4
109.10169	33.7
111.04427	11.5
111.08081	7.4
117.06990	11.9
119.08577	24.4
121.06536	9.1
121.10146	24.8
123.08082	6.0
123.11759	18.5
127.03937	5.5
129.05510	5.5
129.06992	14.7
131.08592	23.6
133.06531	5.7
133.10136	23.8
135.11685	14.9
137.09599	5.1
137.13280	9.1
139.11240	4.6
143.08582	9.3
145.10136	13.4
147.11678	14.8
149.13261	8.8
159.08066	4.8
159.11705	7.2
161.13228	10.2
163.03891	18.3
163.14806	6.1
171.11674	6.0
173.09619	6.2
173.13248	10.6
175.14847	7.9
177.16397	5.5
179.14241	3.9
185.13182	3.9
187.14830	5.1
189.09337	3.8
190.06032	3.5
191.14346	4.9
199.14986	3.6
201.16379	6.0
203.14355	4.3
207.13770	4.0
213.16435	5.7
243.21060	4.8
251.20393	3.9
259.06052	5.7
261.22171	10.8
263.16351	4.8
263.23810	8.2
291.23090	6.7
303.23190	6.7
305.24908	5.0
317.24802	6.4
343.26251	8.7
353.24518	8.8
371.25787	28.0
389.26721	17.2
407.28125	17.8
409.70117	4.9
425.27875	5.4
438.44266	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	425.378
Annotation	Fern 9(11)-en-12-one
Peak:m/z	Relative Intensity
55.05512	5.3
55.89956	0.9
57.07064	3.3
59.42778	0.9
67.05513	6.3
69.07068	13.1
69.33336	4.4
69.33761	5.1
79.05494	5.4
81.07062	27.7
83.08619	5.4
86.09717	4.2
91.05476	2.6
93.07047	15.1
95.08614	49.1
97.10175	6.7
105.07030	3.7
107.08601	34.8
109.10165	22.2
114.03207	1.1
119.08627	5.0
121.10147	30.0
123.11690	8.6
133.10136	7.8
135.11707	24.8
137.13275	4.8
145.10103	2.2
147.11682	3.5
149.13275	7.7
151.14818	2.6
159.11688	1.9
161.13200	1.4
163.14842	2.8
171.11711	2.1
173.13277	1.8
175.14862	2.6
185.13289	1.8
187.14900	2.3
187.46407	1.1
191.17958	100.0
192.18266	1.6
201.16319	1.6
231.20981	1.2
243.21120	2.5
257.22968	1.6
269.20029	1.6
269.22586	6.7
283.24319	1.5
375.35062	1.2
407.36819	5.8
420.42783	1.3
425.37799	78.4
426.38232	3.2
436.46329	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.1
55.05516	11.4
57.03441	3.6
57.07084	1.6
67.01860	1.9
67.05167	1.3
67.05512	19.7
68.99794	14.5
69.03426	1.4
69.07079	12.2
70.75426	1.9
71.04998	1.4
71.08617	1.0
73.76611	0.8
79.05501	12.3
81.03460	0.8
81.07068	23.1
83.05003	3.7
83.08628	7.4
85.02898	0.9
85.06563	1.0
87.00828	0.9
91.05492	7.8
93.07052	14.5
95.04965	3.3
95.08608	19.8
97.02864	1.5
97.06529	8.3
97.10188	3.8
99.04520	1.1
105.07019	6.5
107.04936	1.7
107.08598	9.9
109.06541	3.9
109.10162	7.7
111.00811	30.1
111.04462	4.1
111.08093	2.2
111.11720	1.4
117.07007	1.9
117.10289	0.8
119.08591	7.9
121.10157	10.2
123.04451	3.4
123.08062	3.0
123.11713	4.0
124.51094	0.7
125.05980	2.4
125.09663	2.3
127.03928	10.6
129.06993	1.2
131.08591	4.3
133.10152	6.5
135.08038	2.5
135.11668	6.3
137.06082	1.2
137.09644	3.2
137.13332	1.3
139.03911	24.7
139.07533	2.2
139.11197	1.4
141.24863	0.7
143.08591	1.6
145.10138	2.7
147.08041	1.9
147.11696	5.9
149.06021	1.1
149.09669	2.7
149.13278	1.8
151.07607	1.1
151.11203	1.9
153.05431	1.6
153.09065	0.9
157.10107	1.0
159.11717	1.3
161.06116	0.8
161.09596	1.5
161.13301	3.3
163.03938	1.5
163.07588	0.8
163.11240	1.1
165.05449	1.6
165.09058	1.7
165.12759	1.2
167.07088	1.8
167.10661	1.0
171.09969	0.7
171.11681	1.4
175.11272	0.9
175.14900	1.4
177.09010	1.0
179.07111	1.0
179.10704	1.1
181.08588	2.0
185.13298	1.4
189.12830	1.8
189.16451	1.9
193.08672	1.2
195.10191	2.1
203.14230	0.8
203.18011	2.4
209.11748	3.7
213.16461	2.4
217.12204	1.0
217.59921	0.7
221.11780	1.1
221.19049	1.6
223.13327	4.2
227.17961	1.5
231.17386	1.4
235.13319	1.9
245.19032	1.0
249.14886	2.2
249.18495	5.9
263.16302	0.9
263.20102	2.5
287.19983	1.8
291.19574	5.7
295.20215	0.9
299.22211	1.1
305.21112	22.0
315.19553	11.3
333.20624	100.0
334.20953	2.3
351.21524	4.7
425.25510	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	425.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	9.7
55.01874	6.9
55.05516	33.7
57.03431	8.0
57.07071	10.1
63.87294	2.1
65.03942	5.4
67.05508	91.5
69.03135	2.6
69.03442	34.6
69.07076	37.3
69.49463	19.1
71.04996	7.0
71.08624	6.6
73.02927	3.6
73.50113	2.0
79.05502	38.6
79.62605	2.3
81.02976	3.1
81.03423	41.5
81.06578	4.9
81.07063	100.0
83.04977	8.0
83.08633	21.0
85.02900	17.3
85.06534	6.1
87.04459	2.7
91.05489	37.8
93.07053	52.6
95.04974	15.2
95.08609	65.4
97.02898	15.7
97.06535	7.1
97.10177	10.1
98.21461	3.5
99.04461	10.6
99.08086	4.5
100.62693	2.6
103.03950	3.2
105.07027	36.7
105.12193	2.2
107.04958	6.2
107.08608	30.9
109.02881	4.5
109.06507	4.6
109.10175	31.3
111.04461	9.5
111.08076	3.9
113.09637	4.9
117.07011	11.4
119.08573	30.8
121.06530	6.1
121.10123	23.5
123.04461	4.6
123.11713	13.1
125.09573	2.9
127.03912	7.1
128.06245	3.5
129.05487	5.6
129.07008	9.4
131.08574	23.6
133.06464	5.3
133.10141	21.0
135.08057	6.3
135.11703	17.5
137.09653	2.8
137.13223	8.0
139.11241	2.8
141.06924	2.9
143.08557	6.4
145.06546	4.8
145.10129	13.4
147.08067	5.7
147.11649	13.2
149.09659	4.5
149.13249	11.0
151.11194	2.7
155.08569	3.7
157.10123	9.3
159.11678	10.2
161.09616	3.2
161.13249	11.5
163.11194	4.2
163.14822	8.6
165.16353	2.5
169.10100	4.9
171.11716	4.3
173.09666	3.8
173.13257	6.3
175.11137	3.2
175.14827	8.6
177.16330	5.0
179.14349	3.0
185.09657	2.6
185.13304	4.2
187.11168	3.1
187.14799	7.6
189.16380	2.8
199.14607	2.9
201.16467	2.5
203.14384	2.7
207.13652	2.6
213.16425	4.4
217.16049	3.6
221.15483	3.4
227.14357	2.8
245.22696	5.6
249.18674	2.4
252.15689	2.7
261.22061	10.9
263.23727	9.7
275.23761	4.4
287.23843	3.9
291.23145	9.3
293.24710	6.6
303.23221	6.0
305.24738	8.2
317.24805	6.5
321.24323	2.5
329.24759	3.6
333.24081	4.2
343.26178	4.4
345.61475	2.8
347.25684	4.0
353.24802	10.6
359.25568	3.2
371.25812	24.7
389.26920	20.5
407.27911	15.1
409.12915	5.3
410.13727	4.3
425.16403	25.7
425.29086	3.7
426.16806	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	425.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.7
55.01868	10.1
55.05522	18.8
57.03430	10.7
57.07067	6.3
67.05514	38.2
69.03445	28.2
69.07076	41.9
69.52222	30.4
71.04997	7.6
73.67617	4.3
75.04455	4.4
79.05494	24.8
81.03421	24.2
81.07063	48.4
83.04974	11.3
83.08611	13.6
85.02919	30.8
87.00848	19.1
91.05493	22.6
93.07066	35.9
95.04975	13.1
95.08609	100.0
95.09221	5.3
97.02898	13.6
97.06524	6.1
97.10184	7.4
99.04421	6.6
99.08108	7.7
103.03910	11.0
105.01884	5.8
105.07039	45.1
107.04968	7.7
107.08591	48.2
109.02882	8.7
109.06501	8.3
109.10159	29.7
111.04428	5.9
111.11749	9.4
115.03942	9.3
117.07019	13.8
119.08587	51.9
121.06480	7.5
121.10159	36.9
123.04269	4.2
123.11681	24.2
125.05975	6.2
127.03931	63.4
128.06224	4.2
129.01839	6.7
129.06981	12.4
131.08586	26.1
133.10130	34.8
135.08063	9.7
135.11658	22.8
137.13202	5.1
142.07762	5.0
142.12202	4.0
143.08537	12.6
145.10161	22.8
147.08009	8.1
147.11679	23.1
149.09616	8.5
149.13275	10.5
151.07600	4.6
155.08556	13.3
156.09370	4.3
157.10133	14.2
159.02863	6.1
159.08159	3.9
159.11739	19.1
161.09605	5.1
161.13269	28.5
163.14809	25.6
165.06975	4.7
165.09100	9.6
169.10132	9.5
171.08052	4.6
171.11711	8.3
173.09598	4.5
173.13274	16.2
175.11238	6.7
175.13448	6.3
175.14836	53.5
177.12660	7.7
177.16396	15.9
179.14293	3.7
179.59152	3.4
181.10126	7.7
183.11710	7.7
185.13251	4.8
187.14809	11.1
189.12778	6.5
189.16359	13.2
191.14316	6.8
193.15845	4.3
197.13223	8.7
199.11098	5.4
199.14781	9.2
201.16385	19.0
203.14378	4.3
205.15897	7.4
209.13345	4.2
211.11197	4.0
211.14735	6.2
213.16435	8.1
215.14307	4.6
217.16080	7.8
219.17451	11.0
225.16415	5.5
227.14230	4.4
229.55501	3.9
239.18018	4.3
243.17580	6.6
245.23924	3.7
261.18512	4.0
267.17514	10.4
285.18475	15.6
303.19455	12.3
307.40817	4.2
323.18475	10.1
326.18152	4.5
389.19449	14.0
407.20767	23.5
425.17181	23.8
425.30920	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	425.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.8
55.01857	5.5
55.05504	11.9
57.03426	4.9
57.07063	2.7
65.03929	1.3
67.05228	1.3
67.05510	14.8
69.03410	7.2
69.07066	14.7
69.33208	5.1
69.33630	9.1
71.04978	3.6
71.09637	1.4
79.05486	13.7
81.03404	6.4
81.07058	34.5
83.01346	11.3
83.04974	4.6
83.08624	2.5
85.02896	3.2
85.06525	3.0
87.00831	2.3
91.05479	11.9
93.07042	21.9
95.04945	5.0
95.08601	28.6
97.02873	8.4
97.06539	9.3
97.10155	3.2
101.06033	2.2
105.07030	18.6
107.04939	5.1
107.08591	20.1
109.02873	4.3
109.06528	6.9
109.10139	11.2
111.04437	3.4
111.08023	2.9
112.51705	1.3
113.05960	3.1
117.07035	3.6
119.08572	18.3
121.02879	1.6
121.06502	3.5
121.10144	29.8
123.08081	7.0
123.11723	8.1
125.05997	58.6
125.09623	2.6
126.06744	4.4
127.03930	14.7
128.06206	1.5
129.07062	3.2
131.08565	7.5
133.10121	12.0
135.08043	5.5
135.11708	9.3
137.05948	3.8
137.09607	3.2
139.03905	2.4
139.07523	5.7
139.18736	1.6
142.12311	2.2
143.08543	5.4
145.10103	11.2
147.08023	4.1
147.11729	8.7
149.09601	6.9
149.13222	2.8
151.07570	7.3
151.11200	4.2
153.04265	2.7
153.05469	29.3
154.06229	4.7
157.10124	8.2
159.08105	3.5
159.11723	10.3
161.09608	5.0
161.13260	5.1
163.07481	1.6
163.11218	2.7
165.05481	2.1
165.09116	9.3
167.07088	7.1
167.08385	2.0
167.10730	2.3
169.10150	1.6
171.11685	5.7
173.09653	6.2
173.13251	5.8
175.07565	2.0
175.11157	5.3
175.14827	2.8
177.09088	6.5
177.12746	3.5
177.68224	1.5
179.10675	3.6
181.08588	1.7
182.11275	1.6
183.11708	2.1
185.13319	3.0
187.11150	3.6
187.14833	5.7
189.09044	2.7
189.12740	3.6
189.16339	2.2
191.10730	2.1
193.05049	1.9
193.08614	5.2
195.10123	3.2
197.13286	2.5
199.14842	2.1
201.12790	2.4
201.16374	4.2
205.15822	2.9
209.11676	3.6
211.14845	3.6
215.10869	2.2
215.14365	7.3
217.12221	1.7
217.15878	1.7
229.15828	6.1
231.17433	2.6
233.15358	8.1
239.14355	2.9
247.16876	8.7
256.18921	1.9
257.15366	6.9
257.19412	2.0
261.14856	3.1
265.18042	4.2
275.16409	14.9
277.17966	21.1
289.05280	7.1
293.17459	79.8
294.18048	2.5
303.15903	4.5
311.18408	2.1
321.16861	1.9
323.18298	4.4
335.18475	1.5
339.18018	92.9
340.18604	3.7
379.17517	2.2
381.19006	16.8
397.18500	4.8
407.16934	25.5
407.29816	1.9
425.17935	100.0
425.30893	15.1
426.18494	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	425.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	9.2
55.01874	11.9
55.05512	22.6
57.03439	7.2
57.07077	9.0
61.02918	6.1
67.05498	24.1
68.99796	5.8
69.03438	41.8
69.07067	33.3
69.18320	4.6
69.35915	35.1
69.36318	11.9
73.02910	5.9
79.05489	27.1
81.03406	24.4
81.07058	66.8
83.04980	14.4
83.08614	16.8
85.02918	37.3
85.06540	12.3
87.00813	23.5
91.05485	35.7
93.07043	66.1
95.04967	18.5
95.08606	62.4
96.05309	5.1
97.02888	27.3
97.10152	11.7
99.04487	12.6
103.03996	6.0
105.01878	11.6
105.07032	48.6
107.08607	85.1
109.02876	14.8
109.06512	12.2
109.10167	41.7
111.04490	8.0
115.03905	15.4
117.07053	11.8
119.08602	66.2
121.06486	12.1
121.10154	100.0
123.04448	5.3
123.08038	7.8
123.11712	34.0
125.06045	5.5
125.09597	6.9
127.03925	31.8
129.01836	5.5
131.08565	25.5
133.10129	53.9
135.08052	10.7
135.11679	35.1
137.09692	5.2
141.65401	5.6
142.07817	6.2
143.08568	17.1
145.10138	27.0
147.08020	8.3
147.11691	46.1
149.09656	11.0
149.13304	32.7
151.11113	5.6
155.08517	8.9
156.09430	6.3
157.10162	23.0
159.02882	8.5
159.08017	10.7
159.11682	31.1
161.09639	11.1
161.13257	24.9
161.44919	5.9
163.14809	15.2
165.12772	5.9
169.10120	8.3
171.11684	17.0
173.09628	7.6
173.13295	19.5
175.11247	8.3
175.14830	50.3
177.09071	10.3
177.16386	61.8
179.14336	34.1
181.10165	7.4
183.11632	15.1
185.09564	9.3
185.13243	9.5
187.14841	23.9
189.16411	24.1
193.15837	6.4
197.13268	5.9
199.14838	14.5
201.16330	9.9
205.15901	13.3
209.13159	7.2
213.16582	6.3
215.14339	6.8
217.15862	11.5
219.17479	13.6
227.14307	12.3
231.05002	8.0
231.17451	12.2
261.18353	8.7
285.18396	27.9
303.19528	30.5
321.20602	9.3
389.19693	12.0
407.20648	33.1
425.21878	26.8
426.21106	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	425.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.0
55.01876	2.1
55.05515	7.4
67.05496	9.8
67.48988	1.4
69.03422	3.9
69.07074	9.3
71.05000	2.0
79.05500	13.3
81.07062	30.5
82.56639	1.4
83.04974	3.3
83.08642	3.4
87.00811	2.6
91.05470	9.8
93.07038	23.1
95.04967	4.1
95.08617	18.1
97.06522	6.6
97.10201	2.0
101.06001	2.1
105.07031	12.3
107.04974	4.8
107.08599	24.5
108.46844	1.5
109.06520	7.4
109.10165	11.2
111.08080	3.6
113.05997	2.1
117.07018	4.3
119.08588	15.9
121.06453	3.0
121.10152	30.6
123.04450	1.7
123.08070	7.3
123.11720	5.0
125.05999	100.0
125.09641	3.0
126.06778	1.8
129.07002	2.8
131.08533	8.3
133.10144	9.8
135.08047	5.4
135.11707	10.3
137.05969	2.7
137.09578	3.3
139.07524	6.2
143.08514	2.8
145.10109	8.8
147.07996	2.9
147.11707	5.6
149.06064	1.8
149.09616	11.0
149.13115	1.6
151.07521	2.5
151.11142	1.7
153.05475	20.2
153.09137	1.5
154.06244	2.3
155.08591	1.6
157.10158	4.6
159.08000	3.7
159.11714	9.9
160.08888	1.8
161.09654	7.1
161.13251	3.1
163.03922	5.3
163.07605	2.3
163.11214	3.7
165.09093	6.4
167.07069	4.8
167.10652	2.3
167.79971	1.9
169.10095	1.8
171.11713	6.2
173.09575	4.1
173.13272	4.3
175.11198	5.6
175.14853	2.5
177.09114	5.0
177.12660	2.4
177.16374	2.6
179.10605	2.1
179.39536	1.6
183.11810	1.5
185.13275	2.5
187.11189	5.2
187.14818	7.9
189.12729	3.9
191.10651	2.0
193.08658	4.1
193.49529	1.7
195.10121	1.9
196.12637	1.7
197.13329	2.5
201.12804	1.7
201.16367	2.0
205.15984	2.8
211.14886	3.6
215.14275	6.6
219.17450	1.8
229.15878	9.6
233.15350	7.7
239.14192	2.6
247.16962	15.6
257.15451	7.1
261.14990	2.1
265.18008	7.4
275.16412	16.4
277.17987	13.6
293.17493	66.1
303.15991	3.7
311.18582	3.8
321.17163	3.1
339.18036	62.4
365.28790	8.8
379.17651	9.6
381.19086	7.5
389.16296	1.8
397.18582	20.2
407.17029	22.1
425.18100	62.1
425.30981	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	425.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.05511	7.5
66.50111	1.3
67.05509	9.6
69.03407	2.7
69.07071	7.4
69.31527	5.6
69.31952	6.5
71.04992	1.4
71.58715	1.3
75.13271	1.4
79.05482	6.6
81.03417	4.0
81.07060	20.4
83.08623	2.2
84.08129	1.9
85.06545	2.5
85.83591	1.3
86.06070	2.1
91.05466	5.6
93.07052	8.0
95.08618	13.6
97.02910	1.8
97.06549	1.6
97.10152	4.4
98.20705	2.6
101.00887	3.1
105.07040	6.7
107.08642	6.5
109.02862	3.3
109.06524	2.9
109.10168	12.6
111.04507	2.2
117.07018	1.8
119.01947	6.6
119.08590	6.8
121.06436	1.8
121.10149	4.9
123.08043	2.2
123.11733	8.8
124.70269	1.6
125.09641	1.4
127.03910	2.5
131.08549	4.2
132.09442	1.4
133.10114	5.0
135.08055	2.6
135.11688	2.4
137.09596	4.3
143.01860	3.5
143.08560	2.1
145.10162	3.3
147.11719	3.1
149.09647	3.7
149.13278	3.3
151.07631	1.4
151.11250	2.1
159.11682	2.2
161.03018	2.8
161.09616	4.2
161.13284	3.0
163.03856	1.9
163.11174	1.9
165.09158	10.8
171.11775	2.0
173.13274	2.1
175.04497	1.9
175.11179	2.6
175.14777	1.9
180.38449	1.6
187.00819	2.0
188.78806	1.5
199.11185	1.7
201.03694	2.1
203.05296	1.9
237.82510	1.4
243.04828	15.4
245.06392	9.3
257.19412	1.9
271.04117	1.6
276.56580	1.4
281.16046	2.4
287.03745	100.0
289.05313	86.4
322.40286	1.5
357.20340	1.4
381.18655	5.5
425.17773	82.8
425.26843	3.7
425.30978	11.9
426.18512	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30075	0.5
69.75627	0.9
69.76015	1.5
79.99530	0.5
82.99877	2.1
97.02880	0.7
98.20927	1.2
98.21461	0.6
101.00893	18.3
105.00341	0.6
108.43398	0.5
109.02877	1.1
109.09538	0.5
113.00871	2.9
115.02422	0.8
115.17190	0.5
119.01935	22.5
127.02390	2.5
129.03946	0.6
131.01028	0.7
131.01921	8.9
133.03557	0.7
137.02966	1.5
139.02420	1.5
143.01912	37.5
144.01971	0.8
145.03477	10.0
147.01381	0.8
149.03009	1.0
155.01912	15.6
157.03477	6.6
159.05022	0.6
161.02975	50.1
162.03064	1.2
163.04510	1.0
167.01898	9.2
169.03453	4.0
171.05040	2.2
173.02977	18.8
175.04485	1.9
179.01917	5.3
179.03943	1.0
181.03545	0.5
184.04610	0.8
185.02986	31.4
186.03189	0.6
187.04541	4.2
191.04019	4.2
197.02983	14.8
198.03320	0.6
203.04041	16.0
209.02985	1.2
215.04005	7.8
221.05003	1.4
227.04059	7.4
233.05092	1.0
245.05099	100.0
246.05318	3.5
257.05103	5.1
263.06168	23.8
275.06122	11.9
293.07202	4.1
305.07190	8.3
317.07211	0.8
335.08423	2.9
364.74826	0.6
365.09357	4.0
425.11319	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00045	1.2
52.75343	1.2
56.96556	7.1
60.02871	1.3
68.25835	1.1
69.03412	2.2
69.83428	4.7
69.83846	1.8
74.93156	3.0
81.03410	2.9
85.02874	2.9
86.99361	1.6
89.03930	8.4
91.05480	6.3
97.02898	8.2
98.20777	1.9
98.97565	7.2
101.00884	17.1
107.04941	3.3
109.02830	1.6
113.00868	5.5
116.98618	4.5
117.03360	6.9
119.01930	38.4
119.04940	6.8
127.02404	3.2
128.98593	1.3
131.01913	15.8
133.03452	3.2
133.06531	1.6
134.99638	2.0
135.04417	17.9
136.04761	1.5
136.93051	1.3
137.02953	3.6
139.02388	1.6
143.01903	31.6
145.02592	2.3
145.03455	15.4
146.99648	2.0
147.01414	2.3
147.04424	28.0
148.04727	1.8
149.02954	1.7
154.94118	2.0
155.01903	19.7
157.03484	10.1
158.99606	1.5
161.02979	52.8
163.03905	83.0
164.04266	6.3
167.01941	6.7
169.03542	2.2
171.05026	2.6
172.95270	1.3
173.02972	30.5
175.04520	3.7
179.01936	3.7
185.02979	32.0
187.04514	5.2
191.04033	5.8
193.03476	8.2
194.97296	3.0
195.05057	8.6
197.02963	15.1
199.04520	1.9
203.02020	3.6
203.04025	18.2
207.05069	1.7
208.88455	3.4
209.02982	4.7
211.04552	3.7
212.98322	3.1
213.06004	3.3
215.04024	8.3
219.05179	1.6
221.02992	69.4
221.05040	8.3
222.03282	2.7
226.89651	2.0
227.04008	8.0
230.95058	1.7
234.99829	1.9
235.04530	2.1
237.02728	2.2
237.06160	2.7
239.04034	30.5
244.04590	1.3
245.03345	4.7
245.05089	95.9
246.05328	2.5
247.04558	1.8
248.95944	1.9
249.06201	2.2
257.05173	23.0
259.04456	3.0
261.06177	1.9
263.03702	9.4
263.06406	19.1
265.05600	2.6
267.58096	1.4
271.04483	2.3
273.02994	1.9
273.05984	2.2
275.03571	1.9
275.06293	8.7
277.01111	2.2
277.05548	4.6
281.02554	1.7
281.05151	15.6
282.99835	2.0
287.04062	2.7
289.05591	4.4
293.04642	2.0
293.07385	2.5
295.06650	4.0
299.03680	7.1
301.00934	2.2
305.04800	4.4
305.07321	5.7
307.06641	5.9
316.98975	2.0
317.05060	20.4
321.08163	2.5
323.06189	6.6
329.05237	1.9
335.06073	4.6
347.06171	3.2
365.07162	100.0
366.07452	3.7
367.07471	1.6
383.08231	58.2
384.08542	2.3
397.09506	2.6
406.09866	3.6
425.08698	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	424.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83574	2.6
52.52277	2.4
55.01871	6.6
55.05498	6.8
57.03420	3.8
57.07064	2.7
63.04714	2.9
67.05510	12.4
69.03410	5.3
69.07066	21.9
70.08378	12.9
71.04990	6.7
71.08624	6.1
73.02921	5.6
79.05494	6.1
81.03408	4.1
81.07067	28.7
83.04981	6.6
83.08624	8.8
85.02901	29.3
85.06538	8.2
85.28737	2.8
91.05467	8.5
93.07035	7.4
95.04969	2.6
95.08592	11.4
97.06499	3.3
99.04462	7.6
99.08077	3.4
101.02371	9.5
105.07027	13.7
107.08588	10.2
109.06505	7.8
109.10187	3.6
110.43311	2.8
111.08056	3.1
113.06032	2.9
115.07583	2.5
118.75198	2.5
119.04940	3.3
119.08558	9.6
121.10101	13.0
123.08035	5.2
123.11709	35.1
127.07546	9.6
133.10112	4.9
141.09076	2.7
147.04401	7.0
147.11697	37.7
148.04660	3.3
149.13242	3.0
155.14258	6.3
159.08058	4.1
163.03874	9.7
164.04256	7.3
165.09171	3.8
165.12735	25.1
183.13823	100.0
201.12956	5.1
201.14857	87.7
203.03288	3.4
261.12332	12.9
299.05576	3.0
352.16608	3.1
366.53491	2.8
382.09967	15.2
406.17694	8.1
424.18671	10.7
424.30630	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	425.0114
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96539	0.7
59.75500	0.3
71.11885	0.6
98.97585	4.6
116.97923	0.4
116.98634	4.4
117.10664	0.3
134.99673	2.4
146.04553	0.3
154.94147	0.3
177.00931	0.8
182.99901	0.4
190.96227	0.4
192.98856	0.8
198.98071	0.5
208.88344	0.4
211.57092	0.3
213.05481	0.3
216.98981	3.2
219.01936	0.5
222.97972	0.9
230.94902	0.3
235.00008	13.5
236.00102	1.1
240.98898	4.0
253.01094	3.6
254.01105	0.6
255.97618	0.4
258.99994	40.6
260.00073	5.3
260.99881	0.9
261.03082	1.3
263.02728	0.4
264.98868	3.0
266.92499	0.4
273.01639	0.4
273.98752	1.6
274.97778	0.9
277.01044	33.1
278.01151	3.7
279.00922	0.9
282.01578	0.4
283.00000	74.1
284.00131	5.6
284.99808	0.7
291.02640	0.5
291.99792	1.3
292.98962	0.5
295.99957	0.4
298.97873	0.6
300.02603	0.6
301.01062	100.0
302.01187	9.4
303.01080	1.5
315.02570	1.6
315.92743	0.3
316.98834	0.9
318.98682	0.4
319.02127	4.2
320.02261	0.4
324.02496	2.2
334.92575	0.6
359.00092	1.0
364.99249	0.9
376.93381	0.5
383.00177	1.1
384.00259	0.5
400.93466	0.6
401.01254	4.5
402.01343	2.1
403.00967	0.5
406.99979	5.3
407.99951	0.7
418.94879	0.5
425.01172	32.3
426.01257	4.2
433.50427	0.3
443.02261	78.5
444.02386	8.0
445.02448	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	22.4
55.93539	9.3
61.19760	7.2
67.05518	8.2
69.03419	18.6
71.04962	8.5
79.05480	10.6
81.03410	12.6
81.07065	22.2
83.04986	10.6
83.08630	11.4
84.87639	7.1
85.02898	44.9
91.21117	7.1
93.07055	11.4
95.04973	17.5
95.08624	28.0
97.02915	17.8
97.06519	9.1
98.21532	18.4
99.04453	9.2
105.07037	19.9
107.08597	23.1
108.24474	7.0
109.02870	13.4
109.06511	17.8
109.10167	24.5
119.08524	8.5
121.10146	25.2
123.11714	12.2
127.03959	18.4
131.08643	8.9
133.10139	35.0
135.11688	10.4
141.09096	34.5
147.04436	11.4
147.11719	14.6
147.75476	7.6
149.13261	10.3
150.07774	8.6
151.11182	17.2
158.05959	39.0
159.10191	14.1
163.14806	8.2
167.14355	23.7
173.13271	24.3
191.14325	32.8
209.15388	100.0
227.16501	13.3
262.12854	16.3
425.08221	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	424.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87900	4.3
52.54154	4.0
53.03943	5.0
55.01866	6.1
55.05512	4.4
57.03443	9.5
57.07065	9.3
61.02924	7.0
67.05495	8.5
69.03436	43.0
69.07050	5.7
69.28459	44.5
70.02583	3.9
71.08642	8.7
81.03399	19.9
81.07043	10.1
85.02908	100.0
85.10179	6.5
87.00837	45.8
95.08603	5.4
97.02888	38.4
99.04450	8.9
101.06018	8.6
105.01859	84.5
109.02885	26.8
109.10190	3.9
116.10733	12.0
127.03918	73.2
145.04933	33.3
159.02896	5.1
162.22076	3.8
182.73582	4.4
189.03868	3.7
205.03923	4.4
211.29932	4.4
213.51855	4.2
214.18028	7.0
231.05003	25.6
249.06096	10.0
326.23157	17.8
337.62924	4.0
350.20395	5.5
352.16589	8.2
424.18875	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	424.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	10.0
57.03453	3.0
67.05508	6.0
69.03432	3.8
69.07074	17.8
70.79172	2.2
70.89273	5.2
71.05001	3.5
73.02880	2.8
73.43434	1.9
79.05495	5.0
81.07067	25.5
83.04978	4.9
83.08624	6.3
85.02907	25.1
85.06560	7.5
91.05483	4.5
93.07043	6.3
95.08621	13.1
97.06528	4.7
97.10148	3.5
99.04455	6.3
100.11263	4.2
101.02361	2.1
105.07061	10.5
107.08614	10.7
109.06536	4.7
109.10182	3.3
111.04427	2.5
111.08078	2.2
113.06014	3.2
119.08615	6.4
120.08061	2.7
121.10128	11.3
123.08090	4.8
123.11708	29.5
127.07553	5.9
139.03902	3.4
141.07013	5.2
141.09114	4.7
145.10152	2.7
147.11702	33.9
155.14322	6.8
165.12769	23.1
168.23346	2.0
183.13826	100.0
201.12975	3.8
201.14868	72.6
215.11670	3.2
243.11369	3.5
261.12399	10.0
274.94852	2.8
277.12073	2.8
287.10330	14.9
305.12369	2.4
379.12781	3.1
407.12311	5.4
424.18741	7.7
424.34882	2.7
429.69836	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	424.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97982	6.7
55.05494	21.0
55.93515	7.4
57.54395	6.6
69.03418	19.6
70.08257	8.8
70.08599	26.2
71.04978	9.9
79.05505	8.8
81.03410	10.6
81.07032	9.0
83.04987	7.3
83.08595	13.4
85.02886	29.7
85.39867	6.8
91.05478	19.5
93.07043	16.0
95.04993	56.0
95.08609	15.6
97.02872	7.8
98.20902	13.0
99.04449	22.9
105.01856	9.1
105.07032	19.8
107.08585	26.1
109.02867	9.2
109.06492	13.6
109.10152	12.4
119.04931	24.6
121.10139	59.9
122.06023	6.9
125.09682	6.8
127.03912	18.5
128.95148	5.8
133.06493	50.3
133.10100	12.0
134.06831	15.1
136.07599	20.8
139.11180	31.0
141.05493	7.1
145.04901	8.0
147.04430	83.5
148.04759	12.0
151.11166	12.3
153.09125	13.6
159.06480	13.3
161.05949	8.8
163.14838	10.7
167.14278	17.9
191.14331	12.4
209.15361	100.0
212.98236	7.5
217.08832	8.1
239.02228	8.7
244.06053	14.3
262.10464	11.1
279.01730	7.7
366.01230	7.5
366.08994	21.9
384.10062	44.5
424.07339	11.0
424.18063	8.3
425.08316	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98832	2.2
53.03953	2.7
55.05519	16.6
57.07066	7.6
67.05502	20.7
69.03421	11.0
69.06763	2.8
69.07077	25.2
69.34290	5.2
69.34705	17.4
71.08631	5.8
79.05486	8.8
81.03436	2.6
81.07059	25.2
83.08624	13.9
91.05476	8.5
93.07059	15.1
95.04967	7.0
95.08610	20.9
97.06537	3.1
97.10158	9.0
105.07030	8.6
107.08598	9.8
109.06516	5.9
109.10179	13.2
111.04422	3.0
111.11717	2.6
114.70838	2.6
117.07006	4.0
119.08559	6.5
121.10150	7.5
123.04431	36.1
123.08054	5.8
123.11687	4.8
125.06004	5.8
125.09697	2.7
133.10123	6.9
135.08049	5.0
135.11679	5.4
137.06010	11.2
137.09660	3.6
141.05455	5.8
142.21350	2.2
145.10114	9.1
147.11763	3.8
151.07510	5.4
151.11172	3.3
156.72128	2.5
157.10173	3.6
161.09543	2.5
163.11142	2.7
165.09163	5.5
169.10100	2.3
173.09660	2.9
175.11185	3.5
179.10706	4.9
179.14285	7.4
181.12282	2.5
187.11136	2.2
191.10719	4.1
193.12268	6.2
249.18591	2.4
331.26331	5.6
369.31680	2.8
387.32635	26.7
391.81369	2.4
405.33685	100.0
406.33829	4.5
423.16812	3.5
423.28870	2.7
423.30783	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	1.3
55.05518	8.8
55.14285	1.0
57.07091	6.1
65.03943	4.3
67.05173	2.1
67.05508	31.1
69.07071	18.4
70.70452	2.7
71.04987	3.9
71.08626	3.3
79.05489	3.7
79.30276	1.1
81.07061	12.8
83.08620	10.8
91.05463	1.7
93.07034	2.7
95.04973	18.1
95.08611	10.6
97.06535	1.8
97.10181	7.9
99.04457	8.7
105.03426	1.1
105.07068	2.5
107.04966	3.4
107.08586	3.3
109.09595	0.8
109.10165	7.8
111.08051	1.4
111.11719	5.2
111.82568	1.0
113.06006	3.4
116.24129	1.1
119.08594	2.1
121.06536	1.2
121.10165	3.6
123.04430	30.1
123.08078	2.0
123.11718	4.1
125.06004	18.0
125.13280	2.8
129.05455	1.1
131.08606	1.0
133.10126	1.5
135.11676	1.4
137.06041	1.4
137.09662	1.5
137.13264	2.2
139.07545	10.8
141.05472	100.0
145.10040	1.9
147.11696	2.3
149.09625	2.2
149.13205	1.5
151.11147	1.4
151.14777	1.1
154.79332	0.9
155.06970	1.2
159.80261	1.0
161.13139	1.1
163.11208	1.4
163.14911	1.4
165.09180	1.6
173.09500	1.3
173.13257	1.4
175.11230	1.7
179.10704	1.1
251.20309	1.3
263.23700	1.2
327.30600	1.5
345.31750	2.4
359.33002	1.3
363.32364	1.2
369.31680	1.9
377.34122	3.3
387.32657	14.0
388.32928	1.1
405.33664	40.2
406.34393	1.9
423.34695	27.8
424.35037	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.6
55.01884	7.8
55.05511	25.7
56.91307	5.6
57.03425	14.4
57.07084	6.4
62.12906	6.0
66.13442	5.2
67.05508	85.7
69.03444	28.3
69.07073	34.0
69.33501	51.5
71.01359	6.9
71.04980	8.2
79.05492	54.7
81.03419	40.4
81.07062	100.0
83.04996	13.5
83.08615	20.1
85.02900	12.0
85.06533	7.7
91.05498	36.0
93.07059	68.3
95.04970	14.8
95.08605	55.5
97.02913	12.4
97.06491	9.5
97.10199	11.3
98.21539	12.5
99.04440	12.3
103.03899	6.2
105.07034	48.1
107.04956	8.5
107.08602	31.8
109.02856	7.0
109.06533	6.0
109.10153	32.0
111.04387	6.7
117.07026	16.5
119.08597	39.2
121.10166	31.5
123.04430	16.2
123.08087	10.5
123.11722	14.0
125.06069	8.1
129.05475	6.5
129.07013	10.5
131.08585	23.7
133.10152	30.7
135.11684	21.1
139.07582	5.9
141.05472	43.8
143.08572	12.3
145.10130	20.4
147.11697	25.9
149.13272	12.0
157.10161	13.3
159.11700	19.2
161.13260	13.1
165.09201	8.3
169.10181	6.3
171.11647	10.5
173.13269	19.6
175.14825	13.4
183.11702	8.2
185.13281	7.3
189.16490	5.8
220.96825	5.7
236.36243	5.8
241.19475	8.3
259.20609	8.8
261.22220	11.2
285.22235	7.5
291.23328	7.2
303.23187	14.1
341.24963	9.8
369.24237	18.5
387.25330	21.3
387.32501	8.4
400.18900	5.9
405.26349	19.4
405.33395	14.4
423.27185	13.0
423.34900	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	423.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.01868	2.2
55.05520	6.8
57.03434	3.2
57.07070	4.2
67.05507	16.0
69.03418	1.3
69.07072	8.2
69.44354	7.5
71.04986	1.3
71.08643	4.7
79.05495	14.6
81.07061	18.7
83.05002	1.9
83.08636	4.7
85.06541	3.6
88.55893	0.9
91.05489	5.9
93.07052	11.9
95.04971	2.6
95.08617	16.8
97.02891	3.3
97.06519	2.7
97.10169	1.7
99.04463	1.7
99.08123	2.9
105.07036	6.8
105.79990	0.9
107.08601	9.8
109.06526	19.5
109.10173	7.6
111.08073	1.6
115.94926	0.8
117.06987	1.0
119.08609	6.9
121.10165	6.6
122.07308	1.3
123.08074	42.2
123.11697	2.0
125.09621	1.2
127.03901	1.0
131.08572	3.5
133.10133	4.5
135.08061	9.6
135.11725	2.2
137.09645	2.1
145.10129	3.1
147.11711	4.2
149.09634	2.1
149.13283	4.1
153.20865	0.9
159.11700	3.0
161.13240	1.5
163.11110	1.3
165.12828	2.4
167.14316	2.2
168.44316	1.0
173.11826	1.7
173.13306	1.7
177.12761	2.5
179.14320	85.8
193.15923	2.1
205.15961	2.7
233.19145	1.6
247.20831	1.2
262.53094	0.9
275.20114	1.4
303.26913	3.2
331.22336	1.9
331.26309	37.6
349.27359	8.5
367.25015	1.3
405.30054	2.4
423.16309	2.8
423.31107	100.0
424.31583	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70274	1.9
51.02382	1.7
53.03946	10.2
55.01880	8.5
55.05516	33.3
57.03441	13.3
57.07071	3.7
57.32129	1.7
65.03928	4.7
67.05509	97.4
68.99792	1.7
69.03433	40.8
69.07074	31.4
69.63387	8.2
71.01360	2.9
71.05016	9.5
73.02908	4.6
77.03916	3.4
79.05499	82.9
81.03424	46.8
81.07062	94.2
83.04989	12.6
83.08625	18.1
83.69637	1.8
85.02912	18.9
85.06551	7.0
87.04477	3.0
91.05487	73.5
93.07050	100.0
95.04979	21.9
95.08614	76.0
97.02899	13.1
97.06518	7.8
97.10168	7.7
98.21452	2.8
99.04479	11.9
99.08070	2.8
101.02347	2.2
103.03960	3.1
103.05451	2.5
105.04496	2.2
105.07039	61.7
107.04959	8.6
107.08602	56.8
109.02882	8.0
109.06535	10.5
109.10165	34.8
111.04473	11.9
111.08087	5.8
115.05455	4.6
116.06274	1.9
117.07024	27.9
119.04933	2.7
119.08589	47.6
121.06500	9.3
121.10147	44.0
123.04443	5.6
123.08060	7.7
123.11735	11.1
125.05973	2.1
127.03944	8.2
128.06232	3.6
129.05496	5.2
129.06987	15.0
130.07765	1.7
131.08566	43.0
133.06479	5.1
133.10138	36.8
135.08044	7.9
135.11699	32.7
137.05974	2.6
137.09599	5.9
137.13237	4.5
139.11215	2.6
141.06976	4.8
142.07831	2.9
143.08572	16.2
145.05028	1.7
145.06456	4.5
145.10130	35.0
147.08041	7.8
147.11699	28.1
149.09616	6.2
149.13268	19.7
151.07574	2.2
151.11188	2.2
154.07854	1.7
155.08549	6.8
157.09007	2.2
157.10117	14.4
159.08075	5.0
159.11720	28.4
161.09604	5.0
161.13278	19.0
163.11185	6.3
163.14809	7.3
165.09213	2.0
166.07816	1.9
167.08604	3.8
169.10168	6.6
171.08022	2.7
171.11687	12.0
173.09569	3.5
173.13280	21.1
175.11256	5.2
175.14833	7.9
177.12764	4.3
181.10182	4.1
183.11696	6.8
185.13329	12.2
187.11203	7.2
187.14836	7.3
189.12775	4.6
189.16386	1.8
191.10629	2.8
195.11719	3.8
197.13332	4.8
199.11194	3.8
199.14832	7.3
201.12749	3.6
201.16405	2.8
205.12257	1.8
207.13748	2.4
209.13309	3.6
211.11160	2.0
211.14862	2.6
213.12682	2.5
213.16411	2.7
215.17981	2.3
219.17468	1.9
221.15472	1.9
225.12740	1.9
225.16374	2.4
227.14186	2.1
233.15274	2.1
235.16878	2.2
241.19516	7.0
243.21106	7.4
249.14835	3.3
259.20551	18.9
261.22183	28.0
267.21072	1.8
271.20633	4.4
273.22125	7.4
275.23709	3.8
277.21542	8.4
279.23297	1.9
285.22116	3.5
289.21725	4.8
291.23291	4.4
297.22070	3.6
299.23737	2.3
301.21582	5.0
303.23206	17.6
307.19113	2.9
315.19873	2.0
315.23270	5.5
319.22638	2.6
327.23163	5.1
331.22769	3.1
341.24799	5.5
345.24219	5.7
351.23141	8.2
359.26102	4.0
369.24252	28.2
387.25290	20.2
391.21085	4.3
405.26346	33.3
423.27222	23.7
423.32117	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	423.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	10.1
54.69724	2.3
55.01865	9.5
55.05510	27.2
57.03417	5.2
57.07074	4.1
59.04986	7.9
65.03948	4.0
66.36810	2.4
67.05510	96.1
67.12103	2.4
69.03441	27.5
69.07073	24.3
69.78537	7.5
69.78954	5.4
71.01359	3.2
71.04978	7.5
73.02909	6.4
79.05498	80.9
80.06294	2.2
81.03432	22.8
81.07059	95.2
81.66499	2.4
81.75930	2.2
83.04976	7.5
83.08628	12.7
85.02908	8.2
85.06535	4.3
91.05486	50.0
93.07050	100.0
93.65633	2.4
95.04983	13.5
95.08612	83.6
95.20565	2.9
97.02280	5.0
97.02901	81.2
97.06516	5.3
97.10172	6.8
99.04468	28.2
99.08083	3.5
105.07035	38.9
107.08607	49.6
109.02899	12.5
109.06527	7.0
109.10159	39.4
111.04459	2.7
111.08086	2.5
117.07034	17.3
119.08592	35.8
121.10150	52.8
123.08064	7.9
123.11696	10.9
125.09632	4.8
127.03072	3.3
127.03926	36.2
128.06187	2.3
129.06998	6.2
131.08577	27.8
133.06451	2.6
133.10143	25.2
135.08049	3.2
135.11708	34.6
137.09578	2.7
137.13203	3.5
143.08577	5.4
145.04979	4.2
145.06537	3.1
145.10114	25.3
147.11707	17.4
149.09561	2.8
149.13264	16.6
151.07549	2.9
153.12766	2.5
156.09265	2.7
157.10107	5.8
159.11752	20.9
161.13298	18.7
163.11180	2.9
163.14896	3.3
171.11685	2.7
173.09631	4.2
173.13263	13.5
175.14836	7.5
179.14209	3.7
183.08128	2.2
185.13278	3.8
187.14809	7.7
199.14783	2.5
200.34114	2.6
215.17873	2.3
228.47643	2.4
243.21051	10.2
259.20554	8.9
261.22144	42.3
273.22205	2.5
311.23547	2.7
329.24771	5.7
331.26248	3.6
339.23145	4.6
357.24191	7.3
378.27689	2.4
391.21155	2.6
423.27371	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05802	0.4
53.03939	0.7
55.01868	1.4
55.05518	7.2
57.03448	2.0
57.07070	1.5
62.34289	0.3
66.92719	0.4
67.05510	8.7
68.99791	5.1
69.03449	0.6
69.07073	8.4
70.11491	1.6
71.04986	0.5
71.08633	0.7
79.05499	5.7
81.03420	1.6
81.07060	10.0
83.04990	0.6
83.08620	7.5
85.02907	0.4
85.06538	1.2
87.00843	1.2
91.05489	1.3
93.07050	6.7
95.04964	0.5
95.08611	15.9
97.06548	2.3
97.10173	3.9
98.20805	0.4
99.04453	0.7
105.07034	0.7
107.08605	4.0
109.02909	1.9
109.10167	5.4
111.00816	10.1
111.04443	0.8
111.08067	1.3
111.11735	1.1
113.09653	0.5
119.08569	1.3
121.06466	0.4
121.10152	6.6
123.11695	1.1
125.05995	0.8
125.09682	1.0
127.03926	100.0
128.04247	1.1
131.08560	0.4
133.10107	0.5
135.08046	0.5
135.11690	4.2
137.09627	0.7
139.03922	3.5
139.11154	0.6
145.10133	1.0
149.09708	0.5
153.01834	1.5
153.05513	0.4
153.09210	0.6
161.13338	0.4
165.05536	0.9
177.16422	2.9
181.04948	0.5
187.14824	1.1
193.08617	0.8
195.10313	0.7
195.17450	1.7
205.15979	0.6
209.11716	0.6
219.17288	0.6
223.16995	1.6
237.18533	1.4
239.19991	0.4
241.18054	1.4
259.19083	0.8
259.88525	0.3
274.02872	0.4
279.19592	3.6
289.18094	0.4
295.53214	0.4
296.02936	0.4
303.19623	1.0
304.04181	0.4
307.19058	17.2
308.19379	0.7
321.20648	5.6
331.19019	4.0
349.20114	44.2
350.20459	1.6
423.23627	2.8
424.18436	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2742
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
50.76931	6.0
51.27773	6.1
52.27003	5.6
53.03945	7.6
55.01869	7.3
55.05512	30.8
57.03440	8.9
58.79517	6.1
67.05175	7.5
67.05518	100.0
69.03445	42.0
69.07068	23.6
69.69061	45.2
71.05007	8.4
79.05504	73.5
81.03425	57.6
81.07063	93.0
83.04990	11.8
83.08623	15.2
85.02915	22.1
91.05491	60.5
93.07056	91.8
95.04993	13.1
95.08617	70.7
97.02925	10.2
97.06550	10.8
98.20832	9.5
99.04456	19.4
105.07060	53.5
107.04955	9.8
107.08616	44.4
109.10172	41.6
111.04443	10.9
117.07035	34.3
119.08580	52.7
121.10157	42.5
123.11711	11.6
128.06174	10.4
129.07028	12.7
131.08594	42.7
133.10158	40.7
135.08104	8.7
135.11720	30.5
137.09671	8.1
143.08603	17.7
145.10123	31.4
147.08128	12.3
147.11699	25.6
149.13298	18.8
157.10117	16.7
159.11749	25.0
161.13237	19.8
171.11728	9.5
173.13234	16.2
175.11125	8.6
175.14838	14.0
183.11688	8.8
185.13257	14.5
187.14922	9.5
189.81010	6.6
197.13139	8.0
259.20712	21.8
261.22220	31.1
273.21835	9.3
277.21765	10.4
303.23260	20.2
315.23175	8.3
345.24249	10.4
351.23264	10.3
369.24258	26.2
387.25217	26.3
405.26483	33.8
423.27643	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	423.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.0
55.01863	9.6
55.05523	19.1
57.03428	9.6
57.07071	5.6
61.02911	4.2
63.71787	3.2
65.03962	4.1
67.05508	24.6
68.72004	3.2
68.99791	8.3
69.03437	57.3
69.07077	18.5
71.04988	11.3
71.56921	5.5
79.05505	18.8
81.03433	31.4
81.07067	65.9
83.04974	8.1
83.08602	9.2
84.08173	3.5
85.02908	41.6
85.06535	6.4
87.00826	11.5
91.05489	23.3
93.07047	34.3
95.04963	12.4
95.08611	60.1
97.02891	23.1
97.06525	11.3
97.10162	11.2
99.04446	15.5
99.18057	3.1
99.66671	3.1
103.03943	4.9
105.01883	4.0
105.07045	43.3
107.04980	5.9
107.08582	46.7
108.46045	4.0
109.02913	22.2
109.06497	9.4
109.10156	26.6
109.44111	2.9
111.04456	3.9
113.02351	5.9
115.03922	9.2
117.07031	10.1
119.04904	6.4
119.07784	5.8
119.08584	78.1
121.02874	7.7
121.06495	10.8
121.10151	19.3
123.08072	16.4
123.11670	7.2
125.05958	3.4
125.09618	8.6
127.03922	33.2
128.06262	3.8
129.05489	3.9
129.06989	8.4
131.08578	41.5
133.06516	3.8
133.10139	85.1
135.08072	9.8
135.11708	33.6
137.02296	4.3
137.05952	7.6
137.09598	8.6
139.03920	5.8
141.06967	15.8
141.09111	11.4
142.07785	4.5
143.08557	18.1
144.09367	4.0
145.04941	10.0
145.06444	3.5
145.10146	41.1
147.02872	3.4
147.04384	8.5
147.08052	7.3
147.11685	20.5
149.06044	3.4
149.09601	8.8
149.13271	6.7
151.07520	15.6
151.11203	5.5
155.08551	10.3
156.09331	7.4
157.10136	15.3
158.10922	6.6
159.02861	3.8
159.08081	7.4
159.11668	17.1
161.09622	7.9
161.13260	13.7
163.11191	7.8
163.14806	4.8
165.12773	7.1
166.77553	3.0
169.10132	11.0
170.22221	3.6
171.11670	14.3
173.09474	6.4
173.13287	63.8
175.11249	5.6
175.13295	5.1
175.14836	100.0
177.12680	6.1
177.16470	6.2
181.10242	4.4
182.10921	3.7
183.08371	3.2
183.11641	6.3
185.09631	7.7
185.13252	17.0
187.11169	5.8
187.14830	19.7
189.12706	6.7
191.14259	8.5
193.15865	13.2
195.11765	5.2
197.13237	11.6
199.14807	7.0
201.04118	4.1
203.14331	13.0
211.14874	5.7
213.12715	4.2
215.14279	10.5
217.15836	10.1
223.14920	5.8
225.12819	4.1
227.14203	3.7
229.15897	4.1
231.04898	4.0
233.15485	5.9
239.14255	3.1
241.15791	5.5
243.13786	8.3
251.16377	3.8
255.17589	5.1
261.14981	7.6
265.15836	6.9
279.15863	5.8
283.16937	15.2
287.10272	20.2
301.17938	19.2
303.04877	3.8
319.18954	4.3
337.20175	3.5
343.22601	3.7
351.12656	3.9
369.24359	9.7
381.09528	3.3
387.17953	8.1
387.25394	8.5
405.19019	34.7
405.26724	7.5
423.06866	8.4
423.19977	31.4
423.26410	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	423.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	11.6
57.03419	2.0
58.99582	6.9
61.02909	2.4
62.27941	1.3
65.03932	1.6
66.77906	1.4
67.05505	7.9
67.11893	1.5
69.03427	5.7
69.07076	18.0
71.55872	2.6
76.02230	3.4
81.03413	3.8
81.78596	1.4
85.02915	13.1
89.03945	1.9
91.05469	6.0
95.04974	2.6
97.02895	7.1
98.97597	11.1
99.02736	2.4
101.04252	47.8
103.05470	2.5
105.07043	8.7
110.06072	1.9
110.17873	1.4
110.97604	2.2
112.07608	2.8
115.73755	1.5
116.98627	10.5
119.04948	13.2
122.02759	2.0
127.02135	6.5
127.03891	2.7
127.05814	1.5
129.03734	3.1
131.04932	1.8
133.06497	30.6
134.99571	3.1
135.04427	4.8
140.07050	6.0
145.04948	2.5
146.99603	1.9
147.04427	39.3
148.04822	1.7
148.13332	1.4
158.99710	2.7
161.01204	1.9
161.05956	5.3
163.03938	9.8
170.06369	2.1
172.04285	100.0
177.00732	4.0
180.04742	2.0
182.08154	3.2
185.01341	1.7
198.05894	5.3
205.03574	1.9
209.06599	1.9
211.02806	2.9
214.05356	9.7
215.08545	3.1
218.99780	3.0
219.01801	6.3
219.05096	2.7
221.01071	1.9
221.03062	2.4
223.04533	3.5
225.04361	1.8
237.00713	10.1
237.02863	7.5
237.06078	3.5
239.02171	8.3
243.05525	2.4
244.06474	6.2
253.17232	1.7
255.01830	10.7
257.03403	5.6
257.09406	1.6
261.09082	12.8
273.02835	6.5
279.01953	2.0
321.08282	2.3
337.09320	4.6
365.09000	15.9
377.13739	5.7
379.09576	2.1
383.04749	5.6
383.09814	31.2
423.05841	3.6
423.08295	2.9
423.14282	56.9
424.14246	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	422.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44744	4.3
53.03938	4.6
55.05503	10.1
57.03429	5.6
67.05504	9.9
69.03432	16.7
69.07065	28.4
70.06599	5.4
70.86654	9.1
71.04998	12.2
79.05493	9.7
79.14654	4.1
81.03420	11.1
81.07061	33.3
83.04979	6.9
83.08633	5.3
85.02904	56.6
85.06538	10.5
85.64738	4.7
86.09752	6.1
86.72780	4.4
87.00849	10.4
91.05507	8.4
93.07049	23.2
95.08620	23.9
97.02905	19.3
97.06541	14.3
99.04466	30.5
99.08074	6.6
105.01892	17.8
105.07024	29.6
107.08595	24.7
109.02869	8.8
109.06540	6.4
109.10152	11.2
111.08095	17.1
111.45859	5.3
113.09638	30.6
115.07577	11.5
119.08606	14.4
120.08150	5.7
121.10172	30.9
123.08083	31.3
123.11706	12.8
127.03928	23.8
128.04227	4.9
133.10126	10.5
135.11684	8.0
137.13208	5.0
139.07596	5.0
139.11206	27.8
141.12804	5.5
145.04987	13.0
147.11668	36.5
157.12286	7.8
163.14859	6.6
164.69313	5.6
165.12791	57.2
167.10701	8.1
181.12202	6.1
183.13840	13.5
189.12640	8.1
193.15878	9.4
199.13318	20.0
207.13802	17.1
225.14861	100.0
231.04922	5.1
238.55464	6.0
243.15955	51.1
275.10962	8.8
298.08804	5.2
326.08505	11.2
422.12558	7.3
422.19421	4.7
423.12616	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	422.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	3.3
54.83790	2.1
55.05262	2.9
55.05516	41.3
57.07072	15.3
67.05520	2.3
69.03429	4.6
69.06718	3.9
69.07075	55.0
78.39868	1.9
81.03427	3.1
81.07062	7.3
83.08624	100.0
83.47956	2.1
84.50766	2.0
85.02915	15.7
86.96260	2.1
87.00835	6.1
97.02894	5.6
97.10185	16.4
105.01887	12.3
109.02901	4.7
114.43665	2.3
125.17882	2.0
127.03938	11.4
132.93951	2.0
139.14816	26.1
145.04991	7.8
160.51183	2.1
171.87286	2.2
231.05200	4.5
248.20256	3.0
295.19189	2.3
309.11218	2.3
342.05069	2.6
390.40073	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	423.0925
Annotation	Isomangiferin
Peak:m/z	Relative Intensity
55.01867	1.2
57.03434	1.4
57.49160	0.7
61.02904	0.8
69.92567	1.5
69.92989	2.4
73.02919	1.0
81.03408	1.5
83.03579	0.8
85.02911	2.9
97.02917	1.0
98.20793	0.8
103.03954	0.8
107.01321	1.7
109.02859	1.7
121.02878	1.0
121.83795	0.8
123.04445	0.9
137.02348	1.1
146.06070	1.2
146.73125	0.7
147.06424	0.8
153.01863	2.4
155.04971	0.8
171.04417	1.2
173.06096	0.8
175.03952	0.8
183.04390	1.1
193.06554	0.9
197.06033	1.9
199.03940	1.1
201.05508	0.9
211.03938	2.7
217.04982	0.9
219.02896	2.7
225.05492	3.2
228.13757	0.8
229.04976	3.2
239.03439	0.8
239.07236	0.9
243.02919	1.3
243.06476	0.9
245.04448	4.2
249.05569	0.7
250.98653	0.7
253.04994	2.2
257.04495	21.9
258.04752	1.0
260.03119	3.8
261.03949	7.4
263.01883	2.9
267.03082	1.0
271.03165	1.0
271.06046	7.4
273.03961	100.0
274.04538	4.8
277.05096	0.9
281.04492	3.3
283.06030	1.0
285.03976	12.1
287.01953	1.3
287.05386	1.2
295.05954	3.9
297.03885	3.5
298.04684	1.0
299.01947	2.8
299.05481	20.2
303.05011	51.9
311.05585	2.4
313.07034	7.3
323.05417	4.6
325.03482	1.1
327.01038	1.7
327.05008	33.2
339.05011	15.9
341.06534	1.8
349.95273	0.9
351.04996	11.2
357.06067	12.8
369.06097	14.8
369.10138	0.6
387.07199	17.4
405.08063	5.9
423.07504	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	421.3678
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
51.54514	1.0
55.05260	1.3
55.05518	17.9
57.07087	6.9
67.05505	8.7
69.03417	2.2
69.06725	1.5
69.07076	26.8
71.04986	1.2
71.08623	3.0
71.57278	1.9
75.71367	0.9
79.05489	4.2
81.07084	14.1
83.01352	8.6
83.04984	3.1
83.08617	13.4
85.02885	1.2
85.06548	1.5
85.10175	2.0
89.06020	2.6
91.05470	2.0
93.07039	4.9
95.04948	2.5
95.08617	13.6
97.06532	4.6
97.10175	6.3
99.08099	1.0
105.07036	3.1
107.08607	6.0
109.06524	3.3
109.10158	6.7
111.08087	4.6
111.11736	1.5
116.27580	1.1
119.08596	2.3
121.06460	2.5
121.10129	5.2
121.60749	1.0
123.08078	3.6
123.11689	4.3
125.06061	6.1
125.09657	6.4
127.07549	3.0
133.10130	2.3
135.08072	1.8
135.11694	2.6
137.09653	3.3
139.07555	44.1
139.11185	3.1
149.09576	1.1
149.13318	2.0
151.07469	1.0
151.11224	6.1
151.14790	1.8
153.09088	6.6
153.12727	2.4
161.13235	1.3
165.12819	1.8
167.10704	7.5
181.12222	10.3
194.53146	1.3
195.13811	9.3
207.13869	2.7
209.15414	6.8
221.15393	2.1
223.16998	3.0
237.18475	1.7
251.20052	1.6
265.21704	3.9
279.23059	1.8
321.28024	1.3
341.32510	1.1
385.34787	2.0
387.40945	1.0
394.17990	1.1
403.35825	28.7
421.36813	100.0
422.36963	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	421.3677
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
50.48956	0.6
52.16016	0.6
53.03967	1.1
55.01882	1.0
55.05515	14.0
56.54762	0.6
57.03430	0.8
57.07078	6.4
59.04991	0.8
59.68939	0.8
60.35697	0.7
63.55988	0.7
64.37939	0.7
67.05500	7.7
69.03441	1.3
69.07075	25.8
71.08617	3.5
71.28114	0.8
71.28452	1.1
71.93006	0.6
71.99070	0.7
79.05490	2.8
81.07061	11.2
83.01353	7.2
83.04978	1.4
83.08618	14.5
84.54500	0.7
85.02887	1.2
85.06533	1.4
85.10185	1.6
89.06002	1.4
91.05473	3.0
93.07055	13.4
95.04991	1.1
95.08606	14.8
97.06528	2.9
97.10168	6.9
98.05959	0.8
98.41759	0.7
102.55794	0.8
105.07027	1.8
107.08585	5.3
109.06501	2.1
109.10168	5.8
111.08086	7.7
111.11722	2.2
119.08607	2.5
121.06507	2.6
121.10160	4.0
123.08079	4.4
123.11705	2.8
125.05994	4.3
125.09612	5.3
127.07555	2.4
131.08549	1.6
133.08588	1.1
133.10106	1.6
135.08078	1.0
135.11676	2.3
136.53778	0.8
137.09616	2.8
137.13231	1.1
139.07547	26.5
139.11192	2.2
145.10106	1.2
147.11613	1.4
149.09593	0.7
149.13281	1.3
151.11165	5.3
153.09096	8.4
153.12732	2.2
157.08655	1.2
157.41911	0.7
159.11659	2.0
161.13239	1.0
163.11174	1.6
165.09117	0.9
165.12749	2.2
167.10724	7.0
167.14296	1.3
171.11604	1.1
173.13271	0.8
177.18542	0.7
181.12245	11.0
189.12990	0.8
193.12140	2.3
195.13786	10.6
203.47752	0.7
207.13849	3.2
209.15363	5.4
221.15417	1.2
223.16953	3.0
235.16965	0.7
237.18472	1.7
249.18747	0.8
251.20016	2.5
265.21600	3.9
277.21600	1.6
279.16177	0.8
279.23264	2.1
291.23239	1.0
293.24838	1.3
307.26422	0.9
321.27969	1.8
333.28036	1.0
347.29758	1.7
385.34692	1.1
392.01553	0.8
403.35742	32.2
404.36234	1.0
421.36780	100.0
422.37198	4.1
429.05475	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.8
55.05515	14.8
57.07080	7.6
57.50986	1.6
64.42171	1.6
67.05514	9.0
69.03441	1.6
69.07072	24.4
69.33727	10.8
69.40122	1.8
71.05000	1.8
71.08634	4.5
79.05489	2.2
81.07065	12.0
83.01353	9.7
83.08628	15.1
86.09734	2.3
89.06035	3.9
91.05494	4.1
93.07051	5.5
95.04987	3.9
95.08612	12.5
97.06520	4.7
97.10175	5.6
98.21460	2.5
105.07010	3.0
107.08589	6.2
109.10162	6.8
111.08075	2.8
111.11749	2.1
113.37444	1.8
119.08629	2.2
121.06519	3.7
121.10169	5.2
123.08112	5.8
123.11696	2.5
125.06034	3.9
125.09678	5.3
127.07576	3.4
131.08556	1.9
133.08595	2.0
135.11664	2.6
137.09648	3.6
139.07542	46.3
139.11166	3.1
145.10124	2.6
147.11708	2.0
149.09691	1.8
149.13251	1.8
151.11212	4.2
153.09114	6.7
163.14954	2.0
167.10699	4.3
181.12273	12.4
195.12241	1.8
195.13777	9.7
207.13785	2.2
209.15390	5.5
221.15480	2.8
223.16951	4.8
224.79535	1.6
251.20006	2.6
263.19351	1.5
265.21640	2.0
302.44974	1.6
321.27695	1.8
333.77725	2.1
403.35751	29.6
421.36813	100.0
422.37122	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	421.2586
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
51.02393	4.4
53.03939	9.0
55.01858	6.2
55.05521	27.0
57.03436	6.8
57.07069	3.9
61.02899	4.1
65.03957	7.2
67.05511	65.6
69.03431	16.3
69.07082	20.5
69.82327	23.3
73.02937	5.6
77.52993	3.8
79.05500	64.4
81.03404	19.0
81.07066	63.9
83.04975	9.5
83.08621	17.8
85.02913	9.7
85.06551	4.5
91.05491	76.6
93.07054	68.1
95.04968	14.5
95.08625	63.9
97.02921	10.2
97.06539	7.9
97.10167	4.1
98.21537	7.8
105.07047	100.0
107.04972	6.2
107.08611	41.0
107.64777	4.0
109.06550	10.2
109.10152	17.7
111.08012	3.6
117.07024	37.2
119.08604	59.5
121.06467	5.3
121.10165	32.0
123.08065	6.8
123.11719	6.4
125.05992	4.4
128.06223	7.7
129.07028	27.5
130.07784	3.8
131.08588	51.5
133.10164	42.2
135.08015	5.6
135.11728	19.9
140.68010	4.0
141.06972	9.2
143.08586	26.4
145.06494	6.8
145.10175	45.6
147.11691	35.6
149.09674	5.1
149.13251	9.5
155.08549	13.2
157.06451	4.6
157.10182	19.9
157.60017	3.8
159.08057	5.6
159.11688	38.1
161.09601	7.0
161.13249	18.2
163.11176	4.4
163.14813	4.4
167.08572	6.6
169.10159	11.9
171.11690	29.9
173.09625	6.6
173.13284	21.7
175.14844	7.8
181.10159	6.4
183.11671	14.7
185.13257	19.7
187.11197	6.0
187.14879	10.0
189.12727	5.9
189.16394	5.3
197.13281	7.1
199.14824	10.6
201.12694	5.3
203.14229	4.7
207.13847	7.5
209.13326	6.9
211.11218	5.1
211.14835	6.4
239.18024	5.0
241.19493	10.1
257.18997	11.4
259.20563	32.6
271.20599	8.0
273.22153	4.3
275.20038	16.9
301.21698	24.5
313.21533	8.7
319.22656	6.0
322.11511	5.6
325.21466	5.6
339.23422	5.5
349.21692	7.4
367.22787	28.8
385.23697	39.0
403.24884	35.4
421.21722	22.3
421.26617	52.1
421.34476	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	421.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	2.2
57.03431	2.0
62.28506	1.1
63.91273	1.0
67.05511	7.9
69.07056	3.2
71.18102	1.4
71.18449	2.2
79.05495	5.9
81.03409	1.4
81.07063	5.6
91.05473	4.6
93.07066	7.0
95.08617	6.8
105.07018	2.2
107.08614	2.7
109.10129	3.3
119.08605	2.6
121.10122	2.5
123.11731	1.7
124.56479	1.1
131.08537	1.5
133.10205	1.3
135.08025	1.3
135.11682	1.2
145.10112	1.5
146.20842	1.1
147.11728	2.1
149.59181	1.2
155.63609	1.2
159.11717	2.1
168.80431	1.4
171.11653	2.8
173.13321	1.5
295.19043	1.7
295.99271	1.2
418.19305	1.2
421.21915	100.0
422.22418	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	421.2221
Annotation	Armillane
Peak:m/z	Relative Intensity
53.03930	1.0
55.01867	2.7
55.05517	10.5
57.07073	1.6
59.83953	0.8
64.98009	0.8
65.03950	0.9
67.01865	2.7
67.05512	13.3
68.99799	7.3
69.03421	1.3
69.07073	10.5
70.59229	2.2
71.04995	1.3
79.05495	6.2
81.03429	1.8
81.07060	18.4
83.04986	2.1
83.08630	6.9
85.06541	1.3
91.05507	4.8
93.07047	8.6
95.04971	2.3
95.08617	23.7
97.02894	0.9
97.06528	6.2
97.10188	4.4
105.07039	4.2
107.04971	1.3
107.08591	5.0
109.06525	2.3
109.10163	14.0
110.67370	0.7
111.00824	14.2
111.04459	3.2
111.08081	2.0
117.07031	1.2
119.08578	5.7
121.06499	0.8
121.10163	4.7
123.04447	1.6
123.08044	2.5
123.11710	2.7
125.06017	1.2
125.09647	1.7
127.03932	8.4
131.08624	1.2
133.10138	6.6
135.08037	1.5
135.11722	1.7
137.09663	2.6
139.03909	42.7
145.10127	1.3
147.08049	0.9
147.11710	3.0
149.09598	1.6
149.13278	1.4
151.07553	0.9
151.11235	1.6
151.14799	1.0
157.10194	1.1
161.13345	0.9
163.11179	1.0
165.09070	1.1
171.22134	0.8
173.13278	1.0
175.11214	1.3
175.14825	6.9
179.10619	0.8
181.08531	1.4
189.16394	3.0
193.15965	3.2
195.10176	1.2
199.14899	1.8
201.81201	0.8
203.17966	0.9
209.11787	2.1
211.16965	1.4
213.16394	1.3
217.15953	1.3
231.17696	1.1
235.13356	1.1
235.16885	4.5
249.18593	2.1
253.18092	1.3
259.17017	1.0
265.17990	1.1
277.18030	3.5
291.19479	6.0
293.21085	1.7
295.19061	100.0
296.19489	1.5
301.18027	1.8
319.19119	11.0
335.22446	3.8
343.19293	0.8
361.20190	7.1
377.23297	1.4
379.21234	0.9
403.21167	36.5
403.26651	1.7
421.22266	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	421.207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46617	1.6
53.03931	3.0
54.57797	1.5
55.01877	8.0
55.05513	54.3
55.89974	1.5
57.03439	3.2
57.07077	14.5
59.04987	4.4
67.05505	5.9
69.03428	18.5
69.07069	59.2
70.96993	4.0
71.01359	2.8
71.04988	2.0
71.08630	58.8
73.02919	2.6
77.82386	1.4
79.05503	3.4
81.03411	6.0
81.07043	7.5
83.08620	80.4
84.07462	1.4
85.02431	1.7
85.02908	26.8
85.06522	1.9
87.00832	13.1
87.04498	3.5
91.05482	4.1
93.07050	4.3
95.04955	2.0
95.08611	5.1
97.02895	16.0
97.06505	1.7
97.10168	14.5
99.04438	2.3
99.08094	100.0
105.01870	9.0
105.07040	3.1
107.04951	2.0
107.08588	4.4
109.02868	3.2
109.10184	2.0
115.03930	25.0
119.08603	3.9
121.06502	2.1
121.10143	3.2
125.02349	3.3
127.03915	6.8
129.06999	1.6
129.12750	13.0
131.08595	2.1
133.05013	3.8
133.10095	3.0
133.59309	1.5
135.08029	2.2
135.11697	1.8
139.14809	4.0
147.04420	2.8
155.14281	3.3
157.14796	2.3
157.15897	13.1
161.04434	4.8
173.15370	29.8
191.03426	5.0
201.03946	11.3
202.76198	1.4
219.05029	9.4
247.04510	18.8
298.04645	2.7
421.09286	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32687	0.5
55.05507	1.0
57.03442	0.7
60.33914	0.5
67.05489	2.5
68.99816	0.7
69.03423	2.3
69.07061	2.5
69.81194	2.4
69.81613	1.0
70.10901	0.5
77.07745	0.5
79.05493	1.8
81.03419	9.5
81.07044	1.6
83.04983	0.9
83.08603	0.9
85.02897	1.3
85.76035	0.5
91.05486	1.5
93.07033	2.1
95.04964	2.6
95.08595	1.6
97.02889	1.8
97.06545	5.6
99.04451	1.3
99.08142	0.6
101.18769	0.5
105.07021	3.5
107.04951	1.1
107.08621	3.1
109.02889	1.2
109.06557	1.7
109.10159	7.9
111.04405	1.0
111.08061	1.0
115.07584	6.9
119.08583	1.7
121.06486	0.9
121.10150	1.5
123.04404	0.9
123.08057	0.9
129.06993	1.1
131.08545	2.1
133.06477	0.9
133.10133	5.7
135.08038	1.7
135.09105	0.6
135.25571	0.6
137.05986	3.6
143.08588	0.8
145.06435	1.1
145.10121	2.7
146.08522	0.6
147.11641	1.5
149.05907	0.7
149.09610	1.8
151.07524	1.4
159.08063	1.2
159.09303	0.6
161.05957	1.5
161.07138	0.8
161.09630	1.2
163.07570	2.7
163.11140	0.7
165.09097	0.7
171.07965	2.3
171.11676	0.9
172.05049	2.2
172.08701	5.8
173.09587	4.3
173.13327	1.9
177.09065	1.1
179.10654	2.3
179.35823	0.7
183.08006	1.1
186.06607	0.7
186.10222	1.4
187.07414	12.2
188.08173	1.8
191.10655	1.1
191.14339	0.7
198.06667	0.8
199.07402	8.4
199.11130	1.1
200.08218	2.9
201.09068	1.8
214.09853	0.6
215.10562	0.8
215.14268	0.6
216.07700	5.9
216.10066	3.8
217.12253	1.5
219.10187	1.1
221.11702	3.6
231.06917	0.8
241.12170	0.7
243.08780	55.8
244.09567	100.0
245.10176	3.1
257.10260	2.9
257.15378	0.8
259.06140	1.0
259.13455	0.8
285.49606	0.5
299.16217	1.2
317.17566	0.9
361.14294	1.2
362.13513	2.3
377.14532	0.8
378.15363	42.5
379.16116	43.8
380.16486	1.7
403.17444	0.9
421.05347	1.1
421.17435	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	421.1357
Annotation	9-Bromo-16alpha-methyl-pregn-4-ene-3,11,20-trione
Peak:m/z	Relative Intensity
62.55106	1.2
67.05505	1.9
67.37761	1.4
67.88067	1.3
69.03429	1.6
70.06573	1.3
71.12335	3.4
81.03404	2.9
83.24002	1.6
85.02905	3.1
91.05480	9.4
93.07066	2.6
95.04946	1.8
97.02913	3.3
105.07019	3.6
107.08602	1.9
108.08125	1.6
109.02935	1.9
109.10154	1.9
115.05449	1.8
119.04956	11.9
122.06009	1.7
133.06503	2.6
133.07622	1.6
136.07558	2.4
137.05952	2.6
138.09148	4.3
139.03906	6.2
147.04417	39.9
148.04709	1.7
160.08673	1.5
161.07117	3.5
164.07144	2.1
173.05923	2.0
175.07556	1.8
186.06664	2.0
188.08212	27.6
203.03395	2.9
214.06123	6.9
216.07669	3.4
232.07161	15.4
250.14084	1.5
259.08249	100.0
260.08765	1.7
271.02451	7.2
273.14261	10.0
306.15527	1.4
312.25372	1.5
349.17661	1.6
350.15125	1.9
364.20245	2.6
365.06607	2.3
380.19730	3.6
382.21136	1.9
408.19171	21.1
409.19345	4.4
420.19199	2.9
421.05505	37.5
422.06390	1.9
422.16141	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17229	3.3
53.03938	5.8
54.26761	3.4
55.05508	10.8
56.78626	3.0
57.03435	5.4
57.07059	3.1
67.05514	36.0
67.99218	3.6
69.03432	7.9
69.07075	14.0
71.25775	6.6
79.05500	30.9
81.03426	7.3
81.07066	62.1
83.08620	3.3
85.02920	22.7
87.00817	3.8
91.05495	21.4
93.07063	38.4
93.36334	3.4
95.04996	3.9
95.08613	33.9
97.02894	7.0
97.06528	3.8
102.22224	3.4
105.01873	5.3
105.07054	16.1
106.07369	3.9
107.08612	33.5
109.02893	4.2
109.06531	4.6
109.10175	18.8
113.09568	3.7
117.07060	7.0
119.04945	7.0
119.08590	16.3
120.61795	3.2
121.06504	6.3
121.10153	31.0
123.08112	4.0
123.11734	15.2
125.44240	3.2
127.03895	5.5
129.81007	3.8
131.08578	15.3
133.10161	8.2
134.58664	3.2
135.08055	4.9
135.11713	8.1
137.13287	9.7
139.07558	3.8
145.10130	14.3
147.04428	16.1
153.09085	3.9
159.11703	6.0
161.13264	16.9
163.11200	4.5
163.14836	100.0
164.15211	3.8
167.08476	3.8
177.16479	4.6
187.14810	21.7
205.15942	5.7
217.17772	3.4
223.16974	8.7
264.42877	3.4
328.40121	4.1
408.19434	5.8
420.07858	6.6
420.33447	11.7
438.20221	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	421.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.5
56.96561	18.0
57.03443	6.8
58.99863	10.7
61.02941	5.6
64.67489	3.2
67.05478	3.2
69.02761	3.8
69.03426	14.1
69.76868	19.7
70.99888	4.3
73.02913	4.6
77.00895	12.6
81.03412	5.0
85.02899	28.1
89.03926	11.3
91.02465	4.9
91.05481	9.6
95.01958	3.4
95.04964	8.6
97.02898	13.4
98.97584	8.7
101.00896	32.3
103.02479	3.6
115.02448	16.9
116.98590	6.0
117.03330	3.7
117.04048	4.2
119.01927	100.0
119.04929	10.8
126.98769	4.3
127.02383	3.6
127.03903	9.4
128.98622	6.8
129.03920	8.4
131.01891	14.6
133.03525	24.1
134.99759	6.3
135.04378	8.9
137.02972	10.1
139.65611	3.7
141.03970	3.9
143.01903	11.2
143.05629	16.8
144.99832	22.3
145.03476	25.9
145.04979	5.0
147.01407	6.8
147.04326	37.0
149.03053	3.7
153.03981	5.9
155.01866	5.0
157.03445	10.1
159.05035	9.7
161.02921	13.6
161.06599	17.5
163.03865	53.9
167.05499	7.5
168.99837	12.6
169.03461	14.6
171.01381	13.5
171.05084	28.4
172.97646	4.5
172.99341	13.7
173.00842	3.2
173.02992	12.0
173.06599	7.1
175.04555	6.4
175.08150	5.6
177.00885	4.5
177.02470	13.8
177.06065	4.9
183.05057	7.6
185.03015	6.7
185.06604	32.6
187.00890	14.8
187.02936	5.2
187.04541	21.3
189.00833	6.2
189.02449	16.6
189.04387	4.2
189.06133	19.5
190.98734	6.8
191.00349	7.9
195.05042	6.3
196.99416	4.8
197.02943	14.1
199.00905	11.7
200.98785	9.2
201.02499	5.5
201.06180	7.2
203.03998	11.4
203.07639	5.4
205.00235	4.9
205.01933	11.6
205.03700	5.2
207.03502	5.9
211.04575	13.7
213.02380	5.2
213.06085	12.5
215.00406	20.6
215.04019	20.6
215.07648	7.1
217.01941	10.4
217.05608	4.6
218.99928	4.8
219.01883	8.1
221.03064	4.5
223.04637	7.2
227.03976	6.2
228.98445	4.2
229.02040	8.3
229.05127	4.7
231.03508	11.7
231.07036	6.5
233.01443	13.7
233.05107	12.8
235.06618	4.8
237.00500	4.8
237.02927	4.5
239.04062	35.4
243.07130	11.0
245.05112	7.1
247.02922	10.9
251.02448	27.5
257.01398	8.2
257.05060	29.8
259.06720	4.9
261.01083	4.8
265.01883	7.7
266.99725	3.9
267.03305	5.9
269.05081	7.6
271.06580	9.4
273.04626	4.0
275.02563	8.1
275.06152	20.9
275.08786	4.0
281.01749	8.8
283.02985	38.0
285.04453	5.7
287.06122	9.4
294.05859	3.8
301.00665	7.7
301.04041	14.3
305.07242	5.2
311.02109	4.3
312.35925	3.6
315.05576	31.5
317.03629	4.1
329.03503	5.2
333.03125	5.6
333.06613	17.8
343.01419	6.1
343.05157	45.4
361.02390	30.3
361.06180	67.5
362.06497	3.9
373.06064	5.2
379.07477	4.9
381.05307	6.0
403.07397	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	420.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64423	0.5
53.03939	1.9
53.92811	0.5
54.10015	0.5
55.05510	1.1
57.07073	1.9
61.02941	0.5
66.30292	0.4
66.35734	0.4
67.05506	3.8
69.03423	2.7
69.07061	4.5
70.62952	1.7
73.02922	0.8
74.09647	0.5
79.05502	7.4
81.03418	1.7
81.07060	100.0
82.07398	0.8
85.02906	8.4
87.00830	3.5
93.07045	1.1
95.08611	19.1
97.02905	5.4
99.04456	1.0
105.01876	6.2
109.02891	2.0
109.10191	1.3
113.18347	0.6
117.01886	0.6
127.03912	7.4
137.13254	18.1
141.88770	0.5
145.04956	5.3
159.02907	1.1
194.73761	0.5
231.05109	2.6
249.06168	0.9
281.85580	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58362	0.8
55.05497	1.3
57.07077	8.8
61.02914	0.7
67.05502	6.3
69.02532	0.8
69.03425	2.9
69.07055	2.0
69.53880	5.5
71.05021	0.6
79.05488	2.8
81.03418	2.3
81.07059	31.8
85.02902	6.7
87.00834	2.9
93.07050	2.2
95.08610	40.5
97.02894	5.6
99.04447	1.6
105.01859	8.1
107.08573	1.0
109.02888	1.6
109.10152	2.8
121.10143	1.0
127.03913	8.7
137.13260	100.0
138.13600	1.3
145.04944	5.5
147.04480	1.2
159.02881	1.3
161.13310	0.7
162.30295	0.7
163.14796	1.1
172.88376	0.6
212.16821	0.7
214.08928	0.7
231.04947	3.2
249.06061	2.5
284.09818	1.8
325.16168	0.7
438.20160	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.2
55.05512	0.9
57.07073	1.0
65.03924	0.6
67.05519	2.5
69.03435	1.5
69.07082	1.0
70.00685	1.1
70.01105	1.3
73.02920	0.6
79.05495	7.2
81.03433	1.1
81.07065	100.0
82.07381	0.9
82.15095	0.5
85.02907	2.8
86.67257	0.5
87.00839	1.1
92.02721	0.5
94.29494	0.4
95.08615	12.2
97.02878	2.1
99.04496	0.5
101.61145	0.4
103.51640	0.4
105.01865	2.1
109.02868	0.8
109.10175	0.6
127.03921	3.1
137.13271	16.5
145.04997	1.9
150.43750	0.4
159.02917	0.6
231.05017	0.9
346.66495	0.5
361.37314	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14009	0.5
53.03941	1.5
55.05517	0.7
57.07066	1.8
60.50801	0.5
64.95512	0.6
67.05500	4.0
68.33336	0.6
69.03439	3.5
69.07081	3.7
70.91850	0.7
70.92204	1.5
71.04977	0.8
75.23747	0.6
79.05492	8.5
81.03425	2.1
81.07059	100.0
84.63512	0.6
85.02912	7.1
87.00837	3.2
93.07026	0.8
95.08608	15.4
97.02897	4.6
99.04480	2.0
105.01875	7.3
109.02879	1.7
109.10181	0.8
127.03918	8.2
137.13261	19.8
145.04970	6.2
159.02925	1.5
159.67870	0.6
196.37604	0.7
231.05075	2.3
237.21556	0.6
249.06134	1.0
310.18634	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36755	9.2
56.25353	10.1
67.05502	14.4
70.77645	19.6
71.04983	22.7
79.05503	14.5
81.07060	80.4
85.02940	13.7
86.91273	9.3
88.56413	9.5
91.05492	11.6
93.07036	35.9
95.08588	29.1
102.12934	9.1
105.07023	24.4
107.08616	54.3
109.02876	12.8
109.10146	43.8
119.08588	33.4
123.11692	18.3
127.11169	19.4
133.10121	40.1
135.11707	100.0
143.10680	30.3
147.11659	21.3
161.13332	17.1
203.17953	42.4
221.18974	62.5
363.01752	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	419.2794
Annotation	Juruenolide F
Peak:m/z	Relative Intensity
50.96308	0.4
53.80257	0.4
55.05497	0.4
57.07071	0.5
65.03938	1.4
66.76621	0.4
67.05503	0.5
67.59911	0.4
69.93373	2.4
70.54268	0.5
78.55287	0.4
83.08671	0.5
91.05490	12.5
98.20763	0.5
119.04958	24.3
125.44460	0.4
147.04427	100.0
148.04774	1.3
158.92551	0.4
165.05547	1.1
401.34659	0.5
419.35397	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3522
Annotation	4beta,24S-dihydroxycholesterol
Peak:m/z	Relative Intensity
55.05518	10.3
57.03438	1.8
57.07075	4.1
59.93454	1.4
67.05501	8.4
69.07079	16.7
71.08632	3.2
71.57678	1.8
75.35123	1.3
79.05500	2.9
81.07079	14.3
83.01343	5.8
83.04976	2.3
83.08618	7.5
91.05457	3.5
93.07059	5.7
95.08611	15.9
97.10159	3.6
105.07037	2.9
107.08635	3.5
109.06505	2.2
109.10175	7.5
119.08592	3.6
121.06535	1.6
121.10129	2.7
123.08103	7.4
123.11707	5.0
125.06075	1.8
131.08614	1.9
135.08041	2.4
135.11673	1.6
137.06012	3.3
137.09633	4.8
137.13280	1.9
139.07536	12.7
149.02426	2.0
151.07555	7.2
151.11137	1.9
153.09161	1.9
159.11595	1.8
163.07614	1.6
165.09088	8.8
179.10680	5.9
193.12158	3.4
207.13881	2.8
221.15408	2.2
263.20016	1.8
389.17484	3.1
401.28903	2.2
401.34155	34.9
404.19974	2.6
419.22784	16.8
419.35260	100.0
420.35550	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	419.3523
Annotation	4beta,7alpha-dihydroxycholesterol
Peak:m/z	Relative Intensity
51.39455	0.7
53.03944	0.9
55.05504	3.9
57.07065	3.7
67.05492	2.3
69.03432	2.4
69.07066	6.3
69.89745	3.6
71.08632	1.4
79.05507	4.8
81.07064	15.2
83.01347	2.1
83.08609	3.3
85.10149	0.8
91.05473	3.7
93.07057	4.5
95.08611	6.7
97.02912	1.3
97.10149	3.0
105.07018	3.8
107.08591	2.2
109.06533	13.6
109.10149	3.1
111.11756	1.1
115.59052	0.9
117.07005	1.4
119.08603	3.0
121.06506	8.2
121.10141	1.8
123.11680	1.6
126.84307	0.9
131.08578	2.5
133.10127	1.1
135.08054	2.5
136.05202	3.3
137.05991	100.0
138.06429	4.5
139.07127	1.3
142.07680	0.9
143.08583	1.3
145.10129	2.6
149.06012	1.2
149.09642	7.6
150.06778	1.7
151.07475	3.2
157.10114	2.3
159.08023	2.3
162.06747	1.6
163.07558	19.1
163.11180	0.9
165.09158	1.7
169.10060	1.3
176.08372	1.1
177.09122	81.3
177.42719	0.8
178.09462	4.0
191.10687	32.9
192.11110	1.4
197.13232	0.8
197.16205	0.9
205.12234	1.9
207.13896	1.3
209.13333	1.0
239.17807	0.9
251.04649	1.3
263.61191	0.8
327.23090	3.3
331.33661	0.8
401.33804	5.4
419.22333	2.8
419.29388	6.6
419.34753	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	419.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.2
55.01880	0.4
55.05515	3.2
57.03447	1.2
57.07084	0.4
65.03935	0.7
67.05514	1.0
69.07074	1.8
79.05503	1.2
81.07064	1.6
83.08616	1.4
91.05486	7.2
93.07046	1.0
95.04964	0.2
95.08597	0.9
97.06531	0.5
97.10190	0.6
105.07072	0.2
107.08624	0.6
109.10161	0.2
111.08081	0.1
119.04951	18.4
120.05203	0.3
121.10152	0.8
123.04398	0.1
129.98926	0.1
135.11697	0.2
147.04416	100.0
148.04749	1.5
163.14833	0.5
165.05505	2.9
181.15869	0.3
200.41458	0.1
221.08142	0.4
238.19540	0.1
255.19652	0.2
265.18045	0.2
293.17542	0.4
340.76367	0.1
389.08310	0.3
419.13281	0.6
419.24240	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	419.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
60.18077	7.9
67.05531	14.0
69.03421	11.2
70.77834	22.1
71.04980	15.5
76.76192	9.9
79.05479	27.0
79.10188	8.3
81.07059	91.1
93.07048	37.7
95.08630	22.9
105.07027	25.1
107.08601	53.3
109.02899	16.5
109.10169	31.9
119.08606	29.4
123.11746	21.5
127.03954	18.3
127.11195	30.3
133.10187	41.9
133.11028	9.7
135.11711	100.0
143.10703	20.4
147.11691	19.5
161.13245	12.5
184.12245	9.3
203.17957	47.1
221.18982	58.7
230.75136	9.9
243.06085	9.9
330.15585	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	419.2429
Annotation	Phyllanthin
Peak:m/z	Relative Intensity
53.59481	0.5
55.01857	1.4
55.05266	0.5
55.05517	7.3
57.07072	3.4
58.93076	0.5
64.08168	0.5
66.91425	0.5
67.01869	0.5
67.05507	6.5
68.99797	4.3
69.03428	0.6
69.06722	0.8
69.07071	10.4
70.12051	0.9
70.12407	1.7
71.01389	0.6
71.04993	1.3
71.08627	1.9
73.72033	0.4
79.05501	4.2
81.03407	1.0
81.07063	9.9
83.05006	2.5
83.08619	7.1
85.02908	1.8
85.06530	0.7
85.10197	1.2
90.14429	0.5
91.05473	1.5
93.07053	6.5
95.04941	0.8
95.08598	7.9
95.72111	0.5
97.02875	0.7
97.06525	5.0
97.10191	3.7
99.04486	0.7
99.08101	0.6
105.07026	1.6
107.04943	1.2
107.08592	5.2
109.06501	1.8
109.10162	4.5
111.00816	13.5
111.04430	3.1
111.08089	1.5
111.11729	0.9
119.04914	0.7
119.08575	1.5
121.06496	1.3
121.10145	4.9
123.04436	0.8
123.08086	1.1
123.11713	2.2
125.06014	2.3
125.09630	1.3
126.03157	0.7
127.03918	8.4
131.08549	1.1
133.10136	0.9
135.08113	1.4
135.11667	4.1
137.09608	1.1
137.13261	0.6
139.03906	29.2
139.07552	1.4
139.11205	0.9
143.08447	0.5
145.10092	1.6
147.11731	1.2
149.05998	0.7
149.09610	1.9
149.13272	2.2
151.11165	0.8
153.05525	0.9
153.09128	1.6
159.11696	1.1
161.13332	0.5
163.11226	1.0
163.14954	0.5
167.07013	1.2
167.10736	0.9
171.10172	0.7
177.12756	0.8
181.08609	1.9
181.12184	1.0
185.11745	0.7
191.14290	0.6
195.10205	2.3
195.13774	0.7
199.13251	1.1
206.24437	0.5
209.11751	4.9
209.15358	1.2
223.13338	5.8
237.14830	5.5
237.22429	0.5
247.20581	1.0
251.16493	3.9
251.20201	0.5
263.26620	0.5
265.18039	2.0
265.21649	4.9
293.21060	3.6
307.22681	12.6
317.21188	0.9
335.22165	35.0
336.22516	1.0
351.25241	4.1
377.23270	7.1
401.23141	1.4
419.24295	100.0
419.74652	0.5
420.24542	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45002	1.3
53.03951	8.2
55.01866	4.7
55.05512	3.3
57.03431	4.9
57.07076	8.7
59.05004	7.4
61.02940	1.7
67.05493	5.9
68.99773	3.3
69.03434	29.9
69.07063	8.1
71.04985	5.2
71.29263	1.7
71.30209	1.4
73.02920	6.8
79.05487	1.7
81.03423	25.9
81.07045	4.1
83.04951	1.5
83.08640	2.1
85.02912	43.9
85.06557	9.0
87.00840	20.0
91.05466	2.4
93.07034	6.4
95.04968	2.4
95.08609	33.3
97.02884	15.6
97.06531	3.5
99.04449	10.4
99.08099	12.5
105.01855	12.8
107.08595	9.0
109.02892	24.0
109.06514	4.8
109.10161	18.0
111.08055	5.9
111.11752	2.7
113.09656	13.5
115.03970	1.4
117.01889	2.2
119.08604	2.0
127.03929	40.4
127.11202	5.8
129.01872	3.4
135.11691	13.4
141.11037	1.8
145.04965	12.4
147.02884	2.2
149.02310	1.7
151.07578	1.8
153.12753	100.0
155.14339	3.9
159.02913	14.9
170.11766	4.6
171.12268	2.7
171.13800	21.4
177.12801	2.4
213.03937	3.0
213.14917	1.7
231.05070	7.2
239.44437	1.4
351.38553	1.5
419.18988	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	419.2067
Annotation	Acanthoglabrolide
Peak:m/z	Relative Intensity
53.03929	0.4
55.01850	1.1
55.05518	9.2
57.03407	0.6
57.07085	2.4
59.05014	0.4
63.18261	0.3
66.50549	0.4
67.01829	1.3
67.05514	5.3
68.99794	8.4
69.03397	0.9
69.07074	11.7
69.21493	0.4
70.10211	1.2
71.04982	0.7
71.08614	1.0
72.19139	0.4
79.05500	4.0
81.03388	1.0
81.07066	8.5
83.04992	2.7
83.08627	9.0
85.02878	0.5
85.06480	0.4
85.10175	0.7
91.05439	1.6
93.07050	6.9
95.04917	0.7
95.08070	0.5
95.08614	8.4
95.45840	0.4
97.02861	1.4
97.06530	3.8
97.09632	0.4
97.10177	6.0
99.04432	0.6
105.07011	1.3
107.04992	0.9
107.07947	0.6
107.08601	6.2
109.02834	0.6
109.06490	1.3
109.10189	3.2
111.00814	21.4
111.04443	4.6
111.08064	2.7
111.11707	1.2
117.06998	0.5
119.08549	1.2
121.06490	1.1
121.09330	0.4
121.10153	7.8
123.04399	0.7
123.08036	1.2
123.11689	1.1
125.05994	2.9
125.09577	1.7
126.03123	0.6
127.03929	36.9
131.08554	1.5
133.10112	0.7
135.08003	1.6
135.11711	3.7
137.09586	0.8
137.13229	0.7
139.03914	22.0
139.07492	1.8
139.11229	2.1
145.10103	1.4
147.11642	1.1
149.05945	0.9
149.09650	2.0
149.13239	1.0
151.07533	0.7
153.05417	0.9
153.09138	1.8
153.12682	0.4
157.08565	0.6
159.11696	0.5
161.13184	0.5
163.11186	0.9
163.14821	3.0
165.05548	0.4
167.07040	1.6
167.10712	1.8
171.10205	0.9
173.13242	1.2
173.94058	0.3
177.16399	1.9
181.08612	2.9
181.12248	0.8
181.15842	1.0
185.11687	0.8
187.14836	2.1
195.10167	3.5
195.17511	0.7
201.16449	0.5
205.15837	2.5
209.11769	4.9
209.15237	0.4
219.17430	0.7
223.13434	2.4
223.16919	5.6
229.15866	0.5
241.18002	1.5
243.19501	0.4
247.17006	0.7
251.16414	1.4
265.18008	34.1
266.18359	1.2
275.16415	0.8
293.17490	100.0
294.17859	3.3
299.49319	0.4
309.20621	0.8
335.18552	1.9
377.19461	4.0
419.20685	25.1
420.21121	1.0
437.37155	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
56.96848	0.5
57.03431	0.6
58.74992	0.5
60.44763	0.5
61.02914	1.3
68.50177	0.4
69.03444	3.9
70.86378	1.2
71.05000	0.6
73.02905	1.0
81.03436	2.2
81.07025	0.7
84.63366	0.5
85.02911	7.4
87.04486	0.7
92.10292	0.5
93.07042	0.6
95.04982	0.5
97.02905	2.4
97.15197	0.5
99.08063	0.6
109.02901	1.0
113.03562	0.6
127.03915	1.8
133.85707	0.5
153.12798	0.6
156.08107	0.8
166.06535	0.8
169.07626	12.8
171.13811	0.6
183.09181	3.9
184.07585	5.2
193.07632	8.2
211.08684	33.0
212.09087	1.3
229.09737	32.1
239.08185	6.9
257.09229	100.0
258.09549	2.1
268.11682	0.6
295.85092	0.5
359.14584	0.6
419.14404	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	419.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57367	1.6
53.03944	9.4
55.01871	12.0
55.05499	5.0
57.03440	9.4
57.07077	18.5
59.05005	10.0
61.02931	9.3
66.54577	2.1
67.05508	9.7
67.06557	1.7
68.99789	4.1
69.03433	43.9
69.07066	12.4
71.04987	5.5
73.02917	9.3
79.05502	2.3
81.02972	3.3
81.03418	42.9
81.07063	4.9
83.04961	2.0
83.08611	3.7
85.02908	73.3
85.06533	10.9
87.00832	34.8
91.05449	2.1
93.07030	7.1
95.04958	3.7
95.08610	63.4
97.02886	26.9
97.06530	5.4
99.04461	15.0
99.08091	15.5
105.01874	23.7
107.08601	10.7
109.02216	3.0
109.02890	37.7
109.06506	9.2
109.10148	15.8
111.08085	9.5
111.11716	4.4
113.09651	55.4
115.03903	2.6
117.01836	5.6
119.08567	2.1
127.03922	64.9
127.11202	6.6
129.01859	3.6
135.11697	17.0
137.13303	10.8
145.04965	21.6
147.02867	4.6
151.03973	2.0
153.12740	100.0
155.14314	25.7
159.02911	21.2
169.22897	1.9
171.13818	20.7
213.03909	2.2
213.14893	2.3
231.04977	9.1
279.15851	1.9
346.93021	2.1
357.14236	2.1
387.27222	2.6
419.19083	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	418.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04222	1.2
69.03446	1.1
70.86308	2.1
85.02912	2.0
91.05491	2.8
93.07034	1.9
103.05491	5.8
107.04993	1.7
108.08112	2.5
120.08114	100.0
124.07629	1.3
126.81496	1.2
131.04950	3.5
145.16116	1.1
147.04427	6.4
152.07123	2.4
166.08656	51.0
213.93922	1.2
217.96658	1.8
234.96968	2.7
235.97742	2.1
249.95692	1.5
252.97946	3.0
288.20480	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0976
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
57.03425	1.0
61.02913	1.4
68.99808	0.4
69.34015	4.2
73.02919	11.5
81.03395	0.5
84.20285	0.5
85.02914	0.6
97.02878	0.7
98.21515	0.9
109.02838	0.5
111.00771	1.2
115.03914	0.9
119.04905	0.6
121.02885	2.9
133.02873	0.6
137.02362	1.1
147.04413	0.9
153.01842	3.9
156.08157	0.5
165.01866	2.3
166.33131	0.4
169.07643	3.5
183.02936	1.0
183.09161	1.6
184.07602	1.0
184.22014	0.4
195.02852	0.6
211.08673	3.7
212.20418	0.5
213.05550	1.6
229.09758	4.3
231.06549	0.7
241.04982	1.2
257.09198	7.3
258.05118	1.5
287.05515	100.0
288.05911	2.8
401.13214	1.0
419.14151	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.9
53.86408	2.2
55.01867	9.7
57.03438	4.5
61.02924	5.0
66.11451	2.4
66.61375	2.2
68.99810	3.4
69.03431	29.6
70.76384	2.4
71.05003	5.5
71.27011	2.3
71.56186	2.3
71.66142	2.4
73.02918	8.5
75.56752	2.4
79.98961	2.6
81.03424	24.1
85.02909	100.0
86.03267	2.7
87.00838	38.9
91.05481	3.4
93.68980	2.5
95.04964	2.7
97.02905	41.9
99.04457	22.5
103.03965	4.4
105.01875	51.0
107.04955	9.4
108.04504	2.5
108.18713	2.4
109.02876	28.7
111.70979	2.4
119.04911	4.7
119.53619	2.4
124.07609	4.1
127.03931	77.3
129.01834	3.0
135.04424	10.9
145.04974	47.0
145.06129	2.9
147.04413	22.5
149.00549	3.0
152.10695	13.5
159.02925	23.2
163.03911	10.2
169.04964	8.1
170.05226	3.1
170.11787	9.3
171.02875	3.5
189.03967	12.4
219.06616	4.4
231.04974	18.1
231.82973	2.8
249.06042	5.0
256.06360	3.5
261.07675	6.0
279.36594	2.4
289.51300	2.2
418.18170	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	10.8
56.46870	0.9
57.03405	1.1
60.03049	1.0
60.27157	1.0
61.73764	0.9
62.13810	1.0
67.05492	4.2
67.31725	1.0
69.03419	5.9
69.07054	2.3
69.47993	0.9
70.53691	3.2
70.54646	1.0
73.06535	2.4
81.03419	5.0
81.07035	1.6
83.08612	2.1
85.02903	7.2
87.00841	2.4
91.07575	5.8
95.08609	3.9
97.02869	2.3
97.06505	1.3
99.04427	1.8
102.75673	1.1
103.85912	1.0
105.06973	1.0
107.08665	1.3
109.02874	4.0
109.10146	8.8
110.06057	1.4
114.59151	1.0
121.02843	1.2
122.09659	2.5
123.08018	1.9
124.07564	3.1
124.11226	3.4
125.09638	12.5
127.03916	6.3
140.10709	58.2
145.05009	2.0
147.84592	1.2
149.02348	18.3
152.10707	13.1
153.12762	2.9
154.12292	6.3
159.02873	1.3
170.11774	100.0
171.12187	1.3
221.08089	5.8
237.08678	2.7
374.53830	1.2
418.17252	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	417.2486
Annotation	Dictamnoside H
Peak:m/z	Relative Intensity
55.05515	29.8
57.03439	2.6
57.07064	3.3
65.99738	1.7
67.05492	8.4
69.03435	7.0
69.07057	5.2
69.46128	14.2
71.04993	13.1
79.05498	5.3
81.03430	2.4
81.07053	12.2
83.04993	57.7
84.08148	7.4
85.02912	13.5
85.06548	2.4
91.05471	5.6
93.07045	16.4
95.04990	2.3
95.08621	10.0
97.02914	3.0
97.06528	7.2
99.08096	2.9
105.07047	14.0
107.08594	12.7
109.02927	1.8
109.06497	4.9
109.10165	20.8
111.08076	5.4
119.08594	10.0
121.10145	47.7
123.08069	4.7
123.11691	6.3
125.09671	2.7
127.03941	2.7
127.11197	5.2
131.08580	3.5
133.10153	14.0
135.08034	3.7
135.11711	5.8
137.09602	5.0
139.11191	8.2
145.10109	8.0
147.11665	9.7
149.09633	2.7
149.13309	12.9
151.11183	16.8
153.12770	2.1
159.11699	16.3
161.13312	3.9
163.11198	4.3
165.12723	2.9
166.03830	1.9
173.13210	1.7
177.12775	4.8
181.07515	4.3
201.16426	13.6
204.38586	1.8
219.17456	37.5
227.08215	15.0
237.18512	100.0
238.18835	2.5
255.07677	15.9
255.19658	3.0
399.11996	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	416.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49898	0.9
53.03941	4.1
54.24082	0.8
55.01875	2.2
55.69368	0.9
57.03425	3.0
61.02938	2.1
68.94945	0.9
68.99788	2.5
69.03432	16.9
71.05012	1.6
71.56118	1.2
72.08158	1.6
73.02928	2.7
80.05029	3.0
81.03421	13.6
81.07058	1.4
82.72260	0.9
83.05015	1.0
84.08143	1.1
85.02425	1.6
85.02912	22.4
85.06560	1.0
87.00845	8.9
93.07069	1.8
95.04977	1.4
95.08593	1.3
97.02901	9.8
97.06525	1.1
99.04463	6.3
105.01874	4.8
105.07049	1.4
107.08611	1.4
108.04472	3.8
109.02884	11.1
109.10173	0.9
117.01845	1.6
119.08558	1.2
121.10201	1.3
127.03921	18.0
129.01836	1.3
136.03954	100.0
137.04315	1.1
145.04973	3.8
147.02940	1.6
148.03979	1.2
150.05493	4.3
154.04964	1.0
159.02928	6.8
159.51579	0.9
160.03951	2.0
164.07066	1.5
168.06575	52.5
178.05022	2.2
188.03282	1.0
192.06651	0.9
198.05573	1.2
204.02942	3.5
210.07640	1.5
222.04063	2.3
226.04958	1.6
227.07518	1.0
231.05042	2.2
233.09196	1.1
234.11195	2.0
244.06151	1.4
292.26266	1.4
310.27420	1.1
330.11826	2.4
348.07300	2.1
366.08560	1.3
372.17062	1.2
374.98145	1.5
380.09796	2.1
399.35852	1.4
415.98111	1.3
416.11676	5.6
416.16489	2.4
416.38568	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	416.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.4
53.36889	1.8
54.03259	2.1
54.22181	1.8
55.01869	11.7
55.05499	3.3
55.74021	1.8
57.03431	7.0
61.02919	5.5
68.12505	1.9
68.99774	4.0
69.03433	32.4
71.04987	6.0
71.56714	2.3
72.01712	1.9
73.02911	9.0
79.05487	2.6
81.03416	36.3
81.07053	3.6
85.02910	100.0
87.00835	38.7
90.21737	2.0
91.03953	2.9
91.05484	3.4
93.07051	2.0
95.04985	2.4
95.08632	2.0
97.02895	40.2
99.04475	15.9
99.77399	2.3
102.68746	1.9
105.01865	31.1
105.07041	2.3
108.04478	11.2
109.02871	33.6
117.01841	3.9
119.04949	4.7
125.09627	3.0
126.05541	5.9
127.03925	66.7
129.01830	2.8
137.05992	5.7
145.04971	34.5
147.02908	3.1
151.07561	35.0
159.02895	28.9
163.07561	7.3
164.07071	2.1
175.07538	5.9
177.09116	4.0
187.07521	2.3
189.03806	2.6
193.08656	3.7
199.07611	2.8
205.11163	2.0
213.03964	2.8
217.08513	2.9
231.05045	16.7
231.10107	3.2
240.88000	1.9
241.08551	3.4
248.07707	6.2
259.09647	5.1
277.10608	2.9
354.07101	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	415.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	20.6
57.07079	6.6
66.37077	5.7
67.05511	36.0
69.03415	16.1
69.07053	19.4
69.49847	35.4
71.05003	27.9
79.05512	25.1
81.07068	64.9
83.04984	10.2
83.08616	13.1
85.02907	14.2
89.06017	6.8
91.05471	18.3
93.07051	57.9
95.04965	35.6
95.08608	44.0
97.06512	8.3
97.10165	10.5
99.08107	12.5
101.47222	5.9
105.01801	6.9
105.07038	47.8
107.08607	100.0
109.06511	12.5
109.10162	80.7
111.08092	31.5
117.07046	5.4
119.08586	56.1
121.06480	6.0
121.10167	39.8
123.11765	7.6
125.09640	47.6
127.03890	7.7
129.07069	5.2
131.08574	14.0
133.10167	28.9
135.11726	42.7
137.05977	12.1
137.09558	6.1
139.11128	5.6
143.08553	8.1
143.10689	5.8
145.10121	29.4
147.08112	10.3
147.11688	76.2
149.09616	5.9
153.12776	29.3
157.10159	9.3
159.11664	13.8
161.09581	6.9
161.13225	7.7
175.11176	17.2
175.14845	8.0
189.16379	29.6
211.17023	7.1
217.15810	34.0
235.16920	28.5
253.17902	15.7
397.22339	10.7
415.09949	25.9
439.29669	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	415.2328
Annotation	Tentoxin
Peak:m/z	Relative Intensity
54.13911	1.6
55.05519	9.1
57.03430	6.9
67.05503	10.5
67.35614	1.9
67.65743	1.8
69.07058	6.3
69.81981	8.4
71.04988	1.7
75.04478	1.7
79.05471	3.8
81.07072	13.4
83.08612	7.5
85.06489	1.5
93.07045	3.9
95.08041	2.4
95.08609	22.1
97.06526	2.9
97.10168	8.2
103.03943	4.6
107.08584	2.9
109.10133	11.1
110.13917	1.8
111.00843	3.3
111.08067	1.9
117.05512	2.2
119.08599	2.6
123.11725	2.0
125.09641	2.3
127.03912	1.9
133.10121	4.8
139.03888	2.4
147.11743	2.5
149.13280	3.3
151.14751	2.1
175.14906	8.4
189.11214	1.8
193.15840	3.4
211.16936	2.8
225.31805	1.8
227.77303	1.8
237.45265	1.9
253.17969	2.0
262.93399	2.0
295.19052	100.0
296.19284	4.1
305.17313	9.1
341.19528	5.1
374.60037	1.8
379.21014	2.5
383.95242	1.8
397.22458	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	415.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.7
53.76884	2.5
55.01867	6.6
55.05501	11.7
61.02914	3.4
67.05516	14.0
68.99778	6.4
69.03436	61.4
69.07065	19.2
69.45316	17.9
69.45725	6.1
71.04999	19.7
79.05491	15.5
81.03429	21.1
81.07055	23.5
83.04964	7.9
83.08601	6.2
85.02908	25.1
87.00819	9.5
91.05492	24.7
93.07052	25.6
94.62471	3.3
95.04971	14.5
95.08623	27.2
97.02892	8.4
97.10150	5.1
99.04449	4.1
99.08092	5.0
105.07042	43.3
107.04968	6.3
107.08606	23.1
109.02862	5.2
109.06496	11.8
109.10162	19.9
111.04461	7.6
117.07000	15.5
119.08595	50.6
121.06495	9.2
121.10140	13.4
123.04401	6.2
123.08071	7.6
123.11687	8.8
125.09646	2.6
127.03918	3.8
127.11172	11.4
128.06204	6.9
129.07047	15.4
130.07846	4.2
131.08585	21.5
133.10144	24.8
135.08035	5.8
135.11673	5.4
137.05934	5.5
137.09547	3.2
141.06961	13.0
142.07785	17.4
143.08578	29.0
145.06538	4.9
145.10115	36.9
147.08043	10.0
147.11729	16.4
149.09668	5.9
153.06985	5.6
154.07774	5.7
155.08539	22.2
156.09337	11.5
157.06502	2.8
157.10152	43.3
158.10846	3.0
159.02951	3.3
159.08022	10.7
159.11711	27.1
161.09648	6.5
161.13239	5.0
165.07002	9.1
166.07732	5.1
167.08620	19.0
168.09331	5.0
169.10138	30.0
171.08153	14.5
171.09380	3.1
171.11717	24.0
172.12553	3.0
173.09544	15.9
173.13220	6.9
175.07529	3.6
175.11185	22.1
175.14825	4.3
178.07787	5.0
179.08594	10.1
180.09360	7.5
181.08720	3.4
181.10112	20.0
182.10924	9.4
183.08023	6.0
183.11700	27.6
185.09671	15.2
185.13283	10.5
187.11116	6.5
187.14879	4.9
189.09035	4.4
189.12685	4.7
192.09389	8.5
193.10130	11.6
193.15981	2.7
194.10896	8.7
195.08025	5.4
195.11717	24.2
196.08908	2.5
197.09604	11.1
197.13266	23.6
199.11166	13.3
199.14796	9.6
201.12704	8.9
201.16362	11.3
206.10892	4.3
207.11760	22.0
208.12460	11.7
209.09711	4.8
209.13266	19.4
210.10365	6.4
210.13921	4.7
211.11169	10.4
211.14821	9.7
213.12761	12.1
213.16364	11.8
214.55122	2.9
215.14342	7.0
215.17926	3.8
217.12273	3.7
217.15985	3.2
219.11711	5.3
221.13304	7.1
222.13890	4.0
223.11223	6.4
223.14824	19.7
225.12784	36.4
225.16383	22.9
227.10616	4.5
227.14319	6.1
227.17874	7.6
229.15918	5.8
231.17468	6.5
233.13326	6.7
237.12651	7.7
237.16394	9.2
239.14360	7.2
239.18005	10.1
241.08578	2.8
241.12143	2.9
241.15883	12.2
243.13828	8.0
243.17520	7.8
245.15318	4.4
251.14410	4.3
251.17952	8.8
255.17398	10.8
261.18488	6.5
265.19498	9.3
267.17502	3.7
269.19025	8.2
275.17892	8.9
283.20569	8.0
293.19019	37.9
311.20090	100.0
312.20453	5.0
317.92294	2.6
327.16174	3.1
329.13861	5.6
329.21265	15.0
371.22067	6.7
397.19983	9.2
415.10147	4.9
415.16013	4.9
415.21204	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	414.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42673	1.2
53.03948	1.6
55.01863	1.8
57.03443	6.8
59.05005	17.5
61.02898	2.8
69.03436	9.8
71.05002	1.6
71.51540	1.8
73.02927	10.2
73.06560	100.0
75.73972	1.4
81.03408	5.3
85.02920	24.5
87.00827	6.2
97.02345	1.7
97.02907	12.0
99.04451	2.0
105.01862	7.2
109.02873	3.8
115.03941	5.1
117.09126	3.4
127.03917	9.8
131.10698	10.8
133.04930	1.6
135.04544	1.3
145.04959	4.3
149.11734	44.4
159.02931	1.9
161.05957	1.4
180.08626	1.6
189.09079	2.2
191.07016	1.9
231.05116	1.8
277.10931	2.3
423.36359	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0552
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96574	36.8
69.03397	1.5
69.95846	5.3
71.95253	2.4
74.53176	1.2
84.96044	15.1
85.02901	3.3
86.09723	2.2
97.02911	2.4
98.21244	3.1
98.97596	100.0
99.04489	1.5
102.97082	2.1
106.06672	1.3
110.97581	30.7
112.99124	6.2
116.98636	42.1
119.04913	1.5
119.94283	1.4
121.06502	3.4
122.06799	1.6
124.99149	1.8
128.98622	30.7
131.00192	8.5
134.99672	12.0
140.00189	1.7
140.98601	4.0
143.00172	16.6
144.98111	4.8
146.99666	18.3
147.04401	4.0
149.01244	2.4
152.98587	1.8
158.01205	1.4
158.99672	10.0
161.01256	28.1
162.99078	3.4
163.03954	1.6
167.00197	2.6
170.99654	7.9
177.00739	10.8
179.02304	6.5
180.32861	1.3
182.99683	2.7
185.01265	2.9
189.00713	5.1
190.46950	1.3
192.98175	3.7
195.01616	1.8
201.00726	8.9
210.99115	3.2
219.01796	59.4
220.02095	1.6
229.00206	28.6
237.02847	68.6
247.01263	19.6
255.03963	4.2
260.04498	2.1
271.01306	2.4
288.99963	1.3
295.01331	2.9
297.02859	2.9
307.01074	7.6
315.04025	1.7
325.02420	1.9
329.01535	1.3
337.02359	3.2
355.03366	39.8
355.07968	1.5
373.04465	99.3
374.04800	2.6
391.05518	3.0
396.06052	3.7
415.05215	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	413.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34180	4.3
53.95334	4.2
55.05496	16.3
57.90730	4.4
67.05487	24.1
68.99799	6.3
69.03404	5.8
69.07068	15.0
69.14728	4.5
71.56795	6.9
79.05478	14.9
81.03419	7.4
81.07067	35.2
82.91283	4.5
83.08603	18.2
85.02895	8.6
86.09722	7.9
87.68031	4.7
91.05479	10.2
93.07063	23.0
95.04939	5.2
95.08604	23.6
97.06515	6.9
97.10149	6.8
103.75324	4.7
105.07018	14.9
105.21597	4.0
107.08602	21.8
109.10165	17.3
110.07166	5.9
111.00812	15.1
111.08109	4.6
116.56966	5.4
117.07065	4.7
119.08604	7.7
121.10135	8.3
123.08113	5.5
125.09663	5.7
127.03083	7.2
127.03934	100.0
135.08095	4.1
135.11646	5.7
137.06013	7.4
139.03944	5.3
145.10071	6.7
149.09663	5.9
149.13257	11.9
151.07552	12.9
157.10156	5.7
159.11696	5.6
177.09106	4.8
177.12843	5.3
195.13802	5.6
201.00418	4.6
279.15942	13.0
293.17471	6.7
294.60483	4.4
321.16983	75.0
326.13510	5.0
395.20911	8.4
413.21515	7.7
413.30600	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	413.2537
Annotation	Conyzanol A
Peak:m/z	Relative Intensity
55.01871	2.2
55.05514	7.6
57.03433	1.4
57.07070	4.5
67.01870	2.0
67.05519	5.7
67.91677	1.1
68.36966	1.0
68.99800	5.8
69.07075	10.2
69.67297	6.8
71.08640	1.8
75.27432	1.1
79.05495	5.1
79.71780	0.9
81.03411	1.3
81.07059	8.8
83.04979	3.5
83.08641	6.8
91.05478	1.3
93.07031	7.1
95.08622	7.1
97.02914	1.0
97.06561	5.1
97.10175	4.2
98.20741	1.8
105.07034	2.2
107.08624	4.9
109.06547	1.5
109.10162	3.4
111.00825	19.0
111.04451	3.1
111.08086	2.5
111.11726	1.6
113.02404	1.2
117.07010	1.6
119.08622	1.5
121.10148	5.0
123.11739	2.2
125.06002	3.0
125.09621	1.8
127.03918	6.6
131.08582	1.5
133.10190	1.1
135.08081	2.7
135.11708	5.3
139.03920	12.0
139.07558	1.5
145.10107	2.0
147.11687	1.4
148.72502	1.0
149.09642	1.4
149.13318	2.3
153.09131	1.9
159.11722	1.2
167.07072	1.9
167.10701	1.8
167.14369	1.5
167.71344	1.0
167.77959	1.0
177.12833	1.3
181.08601	2.7
181.12253	1.8
185.11752	1.4
191.71638	0.9
195.10231	3.3
195.13823	2.3
205.19571	1.4
209.11731	3.4
223.13292	4.0
237.14821	6.1
251.16492	1.4
251.20128	4.6
270.09555	1.1
279.19513	1.9
293.21158	15.7
321.20621	100.0
322.20908	3.2
395.24329	15.6
413.21783	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83142	3.3
56.96567	18.5
63.97586	3.3
68.91976	3.0
69.03415	11.5
70.44719	13.6
74.80787	3.3
84.96034	9.1
85.02920	20.1
89.03918	10.6
91.05482	12.4
97.02907	24.6
98.97596	22.2
101.00896	21.3
103.05450	5.0
109.02888	8.4
113.00904	8.4
115.02407	4.2
116.98640	16.4
117.03363	7.4
119.01945	60.1
119.04955	17.9
127.03906	5.8
128.98656	5.3
131.01894	25.1
133.03490	5.0
133.06548	4.2
134.99698	8.3
135.04440	16.1
136.06180	6.7
137.02951	9.5
143.01917	16.9
145.03641	22.0
145.05046	5.5
147.04407	48.9
148.04733	8.1
151.03926	63.8
155.01915	28.2
157.03493	15.3
158.99750	4.4
161.02986	46.7
163.03885	61.4
164.04243	8.9
165.04033	4.3
167.01964	6.6
168.02689	6.1
169.03510	5.6
173.03004	38.5
175.04613	3.7
178.01170	3.7
179.02110	6.0
181.03500	5.4
185.02934	36.3
187.04575	6.7
191.04063	4.1
197.02983	38.2
199.04469	4.5
201.00650	5.8
203.04027	17.0
207.03287	5.1
207.05055	4.7
209.00810	6.0
209.03032	11.1
215.04018	9.5
219.01744	8.6
219.05069	5.4
221.05081	11.2
223.04582	7.9
227.04045	14.1
233.03040	16.3
235.04546	5.3
237.02762	8.2
237.06274	4.2
245.05115	100.0
251.04074	16.3
263.06253	20.7
265.05685	5.8
269.05170	31.6
274.97794	4.6
275.04056	10.2
277.05557	5.7
281.05286	6.1
293.05173	17.7
295.06839	6.3
305.05170	45.8
311.06210	9.0
323.06577	17.2
334.07916	4.2
335.05930	5.6
353.07339	81.7
364.97208	4.3
371.08395	54.1
389.09012	4.4
413.09048	18.8
423.84464	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	413.1418
Annotation	t(6)a
Peak:m/z	Relative Intensity
52.19298	0.8
56.05011	0.9
66.04234	1.1
69.03442	1.3
71.15929	1.2
71.16245	1.0
74.06069	2.6
85.02902	3.0
90.56385	0.8
97.02872	1.2
102.05550	1.3
106.75035	0.9
107.04916	1.0
109.73896	0.9
119.03572	1.7
120.06581	9.5
121.02895	1.8
136.06192	100.0
137.04601	1.2
139.03911	1.6
139.79251	0.9
141.41855	0.9
145.04890	0.9
147.04390	1.9
162.04123	57.5
272.58148	1.0
280.73895	1.0
281.09952	48.5
328.20206	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87929	1.5
53.03938	7.2
55.01881	1.3
55.05518	1.6
57.03432	1.3
57.50440	1.4
57.95121	1.4
58.76859	1.4
59.68929	1.3
67.05507	2.6
69.03432	2.1
70.58391	1.4
71.30022	2.0
71.30391	1.3
78.37626	1.2
79.05502	15.5
81.03434	6.2
81.07037	2.4
85.02901	2.0
91.05482	7.7
95.04988	7.6
95.08592	1.6
105.03425	4.2
105.07027	3.8
107.04971	19.4
113.02363	11.2
115.05485	1.7
117.07051	4.2
119.08576	3.3
123.04464	1.8
129.07013	10.5
131.03433	5.2
131.08571	5.4
133.06491	2.0
135.04411	4.6
139.03870	1.7
139.90974	1.3
141.06949	3.3
142.07790	2.4
143.08595	1.9
145.06480	2.9
147.04443	2.4
152.06227	2.0
153.05502	1.7
157.06494	5.1
157.10190	6.2
157.29663	1.4
157.48224	1.4
159.08067	18.5
161.06052	2.1
165.05501	8.1
165.06871	2.5
167.08531	10.8
171.08060	2.9
183.07861	1.4
185.06032	2.2
185.09634	11.5
187.07590	2.0
195.08049	8.5
203.06961	1.6
205.08607	7.2
213.09122	100.0
214.09439	2.2
219.10146	10.5
231.10173	24.1
249.11331	3.2
259.09698	8.7
275.10138	2.8
277.10858	11.7
291.12207	1.4
299.09152	6.8
317.10205	41.6
320.19345	8.0
324.59009	1.5
335.11301	28.1
345.09763	22.6
363.10764	80.6
364.11029	2.1
381.11942	14.3
395.13297	1.8
395.50076	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1992
Annotation	Flumethasone
Peak:m/z	Relative Intensity
68.15482	0.4
69.03408	0.6
69.55247	1.1
69.55674	1.7
81.07054	0.8
85.02921	0.8
86.09697	0.8
87.00809	0.5
91.05478	0.4
95.08630	0.5
98.20731	0.6
105.07038	0.5
111.72105	0.4
124.07655	0.5
129.05563	0.4
144.08009	1.3
145.08444	1.0
156.08043	0.5
157.08408	0.5
158.09648	1.4
159.09999	1.4
163.03940	0.5
175.11288	0.4
185.07973	0.5
186.09175	0.6
187.09494	1.4
204.10222	0.7
205.10594	1.2
240.02168	0.4
244.52675	0.4
249.11128	0.8
249.14642	1.5
250.11806	0.4
253.10600	0.6
341.36758	0.4
367.17303	2.1
375.12741	0.8
393.13672	0.7
393.18259	0.5
411.19913	100.0
412.20309	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.4
55.01883	3.1
55.05513	11.7
57.03438	2.8
57.07082	1.9
67.01871	1.3
67.05172	1.6
67.05517	20.2
68.99795	17.0
69.03436	2.1
69.07063	10.3
69.69783	2.8
69.70190	5.0
74.69862	1.0
79.05501	14.1
81.03429	2.6
81.07066	25.2
83.04984	4.6
83.08635	9.1
85.02915	1.2
91.05495	9.7
93.07054	13.4
95.04988	4.0
95.08618	20.5
97.02897	2.2
97.06538	8.8
97.10166	4.3
105.07047	8.2
107.04962	3.1
107.08603	9.8
109.06516	3.7
109.10168	7.5
111.00813	29.4
111.04465	3.6
111.08092	3.5
117.07030	3.0
119.08585	9.8
121.06550	1.6
121.10165	10.0
123.04444	3.8
123.08094	4.4
123.11726	3.8
125.06015	3.1
127.03925	10.7
129.07066	1.4
131.08585	4.3
133.06535	1.6
133.10123	10.0
135.08057	1.9
135.11710	4.5
137.06026	1.5
137.09616	3.3
137.13272	1.6
139.03912	23.3
139.07585	2.5
139.11156	1.4
143.08531	1.9
145.10133	3.5
147.08058	3.7
147.11697	5.9
149.09663	2.0
149.13249	2.5
151.03906	1.6
151.07564	1.3
151.11253	1.5
155.58168	1.3
157.10144	2.7
159.08075	1.7
159.11723	1.7
161.09599	2.2
161.13222	2.7
163.11237	1.8
165.09119	1.9
167.08609	1.2
171.11781	2.0
173.09669	1.8
173.13249	1.6
175.11266	1.7
175.14915	2.4
179.07143	1.4
179.10754	1.7
185.09650	2.0
189.16444	4.7
195.10126	1.7
199.14812	3.3
209.11758	3.0
213.09157	7.6
213.16573	1.8
217.15990	1.6
223.13243	1.8
231.10138	2.2
235.16975	5.0
249.18501	1.6
253.17934	1.6
259.17166	1.8
273.18539	1.8
277.18127	4.7
283.16864	1.7
291.19589	21.5
295.18951	2.1
301.18005	8.8
317.10233	2.3
319.19070	100.0
320.19397	2.6
335.11264	2.4
337.20108	5.3
363.10703	5.2
378.61856	1.3
411.23996	8.9
411.28867	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1991
Annotation	Flumethasone
Peak:m/z	Relative Intensity
55.01869	0.5
55.05517	0.5
67.05502	0.5
69.03421	0.7
69.07063	1.6
71.04974	0.9
71.56586	0.5
79.05490	0.4
81.03408	0.7
81.07048	1.6
83.05000	0.4
83.08604	0.9
85.02896	1.0
85.06551	3.3
91.05479	0.9
91.69478	0.3
93.07040	1.2
95.08598	1.9
97.02892	1.0
98.97609	0.4
99.08107	2.4
103.49340	0.3
105.07052	0.7
107.04962	0.4
107.08587	1.4
109.02857	0.4
109.10161	1.5
121.10148	2.2
127.03922	0.8
127.11221	0.4
128.11519	0.6
131.08583	0.5
133.02823	0.6
133.10136	0.8
135.11702	1.2
137.06000	0.5
137.13255	0.5
139.90984	0.3
145.09978	0.4
147.04401	0.8
151.44003	0.4
153.12822	0.4
158.97490	0.4
163.03908	2.8
163.07515	0.4
177.16388	1.9
195.17523	1.0
213.18507	4.1
231.19589	3.0
249.14645	0.5
249.20621	1.6
323.10992	1.0
325.03568	0.8
338.13354	2.4
393.17581	0.5
410.70938	0.7
411.19913	100.0
412.20209	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.01874	1.6
55.93520	3.4
65.41808	1.2
69.03426	2.0
71.56043	1.7
72.93785	4.8
79.05487	1.8
81.03423	3.0
83.04976	4.5
83.08607	2.5
85.02937	3.1
90.94853	2.1
91.05465	3.0
94.20878	1.0
97.02902	1.9
103.05495	2.4
105.07034	18.1
105.07676	1.5
107.04966	5.8
107.76887	0.9
115.05423	5.4
119.04961	6.1
121.06503	1.3
127.03918	1.6
131.04929	8.1
133.06503	49.5
135.04472	1.6
142.97905	1.6
144.39624	1.1
147.04433	7.8
151.11157	3.6
152.96375	3.0
161.06010	10.5
162.05444	1.0
163.03946	3.0
167.14288	6.0
170.97354	2.0
171.05537	2.6
178.97862	2.3
192.99565	3.6
194.97392	2.3
202.98134	1.2
203.05362	2.9
204.99490	1.0
207.01137	1.4
209.15405	2.4
211.00523	1.8
218.97507	1.9
220.99158	2.9
223.00658	6.7
225.03169	1.4
231.13596	4.4
232.99091	1.7
235.00598	1.9
251.00070	16.0
269.01093	1.5
291.06784	1.5
319.03940	2.4
347.03635	3.7
375.03168	3.9
392.99435	1.8
393.04132	15.1
411.05466	3.7
411.19949	100.0
412.20074	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	411.14
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.8
55.01871	3.8
57.03421	2.7
59.04998	1.1
61.02920	1.6
65.12673	0.7
68.99776	1.9
69.03429	10.9
71.05002	5.1
71.08293	1.5
71.08637	0.8
79.05513	0.6
81.03419	29.6
85.02916	1.0
87.00820	2.3
87.04465	0.8
91.05473	1.5
95.08633	0.9
97.02882	1.0
99.04453	9.6
107.05010	0.7
109.02861	1.6
116.04929	0.8
117.05491	2.4
117.07014	1.3
117.52771	0.7
118.06539	4.0
121.10123	1.0
127.03919	2.6
127.11175	0.8
129.01802	1.1
133.02855	1.9
133.33575	0.7
135.04413	1.7
145.06476	2.8
145.07611	6.3
147.09155	10.8
149.02356	2.1
162.07896	1.3
163.03912	27.9
163.07536	9.8
163.08704	1.5
164.04207	0.7
173.05730	0.9
173.07121	11.8
175.08702	9.5
185.04518	0.9
190.07388	0.9
191.08154	100.0
192.08401	1.1
199.08563	0.7
205.09848	0.9
213.10246	1.1
215.11768	1.2
233.09254	1.7
243.11163	1.1
247.06024	1.8
271.10721	1.7
289.11758	6.0
304.43420	0.7
307.12885	18.5
309.17401	0.7
325.13989	11.6
331.12839	4.2
343.10468	1.2
349.13950	3.0
367.11810	1.0
375.11877	17.7
393.12903	29.5
394.12756	0.7
411.10684	1.4
411.19785	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	411.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08501	0.4
65.73211	0.4
69.03429	0.6
70.36487	0.8
70.36880	0.9
81.03429	1.0
84.68233	0.4
92.95474	0.4
96.28668	0.4
97.02914	0.5
98.97581	0.5
99.09146	0.4
100.00116	1.1
101.00887	3.6
108.28226	0.4
109.02882	0.8
109.45799	0.4
113.00887	0.9
115.02464	1.3
118.01151	2.3
119.01933	6.0
119.30130	0.4
121.02844	0.7
128.72261	0.5
131.01933	3.4
133.03453	3.1
137.03006	0.5
138.01649	0.5
139.02402	0.5
141.03925	0.7
142.01137	3.5
143.01910	1.7
144.02734	2.0
145.01682	0.5
145.03491	1.9
147.01414	0.6
149.02989	0.5
151.02441	0.5
151.04572	0.5
155.01921	1.0
156.02702	3.3
157.03487	6.8
158.00603	0.4
159.01392	1.0
159.05020	2.9
160.02219	3.3
161.03011	1.9
163.02705	0.5
166.01208	0.8
167.01936	1.4
168.02678	0.9
169.03453	1.9
171.05086	1.3
172.02095	0.6
173.03001	1.4
174.03809	0.5
175.04520	3.3
181.03529	0.5
182.04327	0.7
183.05072	0.8
184.02194	2.8
185.02994	3.6
186.03743	0.5
187.04518	1.2
189.00768	0.5
197.03062	1.3
199.04518	3.6
200.05356	0.4
203.04036	0.6
205.03763	0.6
211.04536	0.5
217.05602	2.2
217.07260	0.6
217.51007	0.5
225.06087	0.9
235.06639	19.3
236.06938	0.8
245.05112	0.8
253.07724	7.6
263.06189	1.2
276.06921	24.9
277.07697	17.9
278.08008	1.2
289.07690	5.4
291.09302	5.7
295.08945	0.5
301.07718	1.1
302.08554	3.0
303.09290	1.1
307.08557	0.5
309.05057	0.6
316.06442	1.3
317.07214	3.8
317.10843	1.9
319.08740	2.8
351.11359	0.6
393.12155	0.5
411.13519	100.0
412.13760	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	3.6
57.03429	0.8
58.99860	0.8
60.25798	0.5
61.65644	0.5
63.42562	0.5
69.03433	3.2
69.40421	4.2
71.04980	0.9
72.62472	0.5
73.02890	1.2
77.00874	0.9
81.03432	3.6
84.95994	1.0
84.99581	0.6
85.02911	5.4
89.03935	4.1
91.03967	0.5
91.05447	1.0
95.04934	0.8
97.02885	3.3
98.97562	2.0
99.04429	1.4
99.38168	0.6
100.00061	1.6
101.00895	4.7
103.00597	1.1
103.02419	0.9
103.05484	5.6
107.04910	1.4
109.02819	2.0
110.97562	1.0
113.00829	1.4
115.02408	2.5
116.98611	1.0
117.03306	2.3
118.01176	4.9
118.78020	0.7
119.01173	1.0
119.01929	15.0
119.04903	1.7
120.01985	0.6
121.01691	3.2
121.02396	0.8
127.03860	2.0
128.98572	1.5
129.03935	0.8
131.00159	1.1
131.01917	8.0
131.04929	15.2
133.01620	1.9
133.03461	6.4
135.03162	2.0
135.04350	4.0
137.02881	2.1
137.78717	0.6
138.01689	0.9
139.02376	1.2
140.49347	0.6
141.00375	0.5
141.03853	1.2
141.58359	0.5
142.01129	5.9
143.01932	3.2
144.02754	3.2
145.01572	2.2
145.02576	0.9
145.03421	1.9
145.53029	0.6
146.99585	1.0
147.03294	1.0
147.04346	6.0
149.02888	2.0
149.05997	12.3
151.04425	0.8
155.01860	1.4
156.02718	5.8
156.97557	1.0
157.01608	1.0
157.03500	9.9
158.00523	0.8
158.99585	0.6
159.01366	1.2
159.04387	4.1
159.04832	4.1
160.02223	5.7
161.01175	0.9
161.02866	4.3
163.02638	4.0
163.03838	17.2
164.04216	2.8
165.00743	0.7
165.02263	0.6
166.01117	1.1
167.01854	1.2
168.02634	2.8
169.03510	3.5
171.04926	2.1
172.02168	1.0
173.01222	1.0
173.02827	1.4
174.98526	0.9
175.02669	2.6
175.04433	5.4
177.00818	1.2
177.05385	2.3
179.02011	0.8
181.03381	2.0
184.02238	5.3
185.02992	4.6
187.02579	0.8
187.04430	2.2
188.51617	0.7
189.00624	1.3
189.03954	4.2
189.05807	0.9
190.04561	0.9
190.98625	0.6
191.00491	0.9
191.02147	2.0
191.03867	0.9
193.03632	1.2
195.01688	0.8
197.00565	0.9
197.02773	0.9
199.02405	0.7
199.04562	4.5
200.03035	0.8
201.00661	1.0
201.04074	0.8
202.03139	1.0
203.00536	0.8
203.02313	1.1
205.00261	0.8
205.03497	8.4
206.04150	2.5
207.05055	19.3
208.05537	1.8
209.03069	0.7
209.06540	0.9
210.04047	0.8
211.04431	1.4
215.01625	0.6
215.03954	1.0
217.03387	7.3
217.05504	2.9
218.04277	7.8
219.01807	2.4
219.05042	8.5
221.03038	1.4
223.04535	4.8
224.05038	1.0
225.06065	4.7
230.04230	1.1
231.02454	1.0
231.04944	2.0
232.02135	0.9
233.03128	6.4
233.06361	0.8
234.03647	2.6
235.04362	16.9
235.06534	14.4
236.05205	4.5
237.00565	1.3
237.06108	4.8
239.03802	0.9
239.53221	2.0
240.03004	3.4
241.03452	1.6
243.04813	2.1
245.04713	1.2
245.06931	1.0
247.04350	1.5
248.05336	1.1
248.53912	3.0
249.03738	1.3
249.05983	2.5
251.04320	3.5
252.04784	1.1
253.05385	7.0
253.07626	5.5
255.01549	1.1
256.05469	0.6
257.06610	3.5
258.03671	2.8
259.04449	4.7
261.03091	0.9
261.05960	2.7
265.05533	0.9
269.05307	2.5
271.04285	2.3
271.06796	0.9
273.06253	3.1
275.07715	5.2
276.04224	6.0
276.07324	7.3
277.04785	4.9
277.08093	7.6
279.04425	0.9
279.07150	1.4
283.04529	0.7
284.05081	2.4
285.06085	3.0
289.05014	1.2
289.07840	1.5
291.03696	2.9
291.07004	5.0
291.09879	0.9
293.05179	0.9
294.05911	5.2
295.06238	1.3
299.07547	2.9
301.05222	1.5
302.06168	2.6
303.03683	1.0
303.06732	1.2
305.08939	2.6
309.04706	2.3
309.08081	1.4
317.08398	0.8
319.06296	2.0
319.09238	0.8
322.99673	0.7
326.08514	5.8
327.09244	4.4
331.06763	1.3
339.09235	0.7
347.02847	0.7
349.07431	0.9
352.09540	0.8
353.06567	0.7
363.08884	1.9
365.10873	6.5
375.09268	8.4
381.09888	2.4
393.10336	32.7
394.10190	2.0
411.11252	100.0
412.11627	4.6
429.11893	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68745	1.0
53.03948	1.3
56.77168	0.9
57.03413	1.0
58.79691	1.0
67.05510	11.4
69.03415	5.7
69.07072	9.2
69.43526	4.3
69.43952	3.6
71.04996	3.7
73.02905	1.1
81.03422	2.4
81.07058	4.1
83.04980	1.4
85.02911	13.8
85.06547	2.2
87.00832	7.4
95.08558	1.0
97.02896	4.3
99.04459	1.5
105.01868	12.6
107.08603	1.9
109.02866	3.1
109.10165	100.0
127.03944	10.2
127.11201	61.7
128.94855	1.0
133.10019	1.2
145.04967	3.7
145.06551	1.0
145.08621	1.4
154.63342	1.0
159.02986	1.3
163.03903	3.4
163.07477	1.1
230.12332	2.2
231.04990	4.1
242.11638	1.3
249.05914	1.4
393.14633	1.4
410.18738	11.2
411.19647	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	410.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.6
55.01867	7.2
57.03431	6.5
57.16481	1.9
61.02922	7.1
67.05502	4.0
68.99792	1.9
69.03429	35.3
70.85439	4.3
71.04986	4.7
73.02908	6.1
79.05510	2.2
80.02727	1.9
81.03429	20.7
81.07045	8.2
85.02911	100.0
85.06551	76.6
85.07076	3.2
87.00831	42.7
97.02901	29.7
99.04459	13.6
105.01179	4.3
105.01875	75.3
107.04979	2.0
109.02888	42.3
109.06516	6.9
117.01885	2.9
121.10179	1.9
127.03925	78.9
127.07564	44.8
129.01866	3.4
145.04961	29.8
147.02960	3.1
159.02916	14.0
162.05452	2.0
163.03914	5.9
164.86298	2.0
189.04045	2.8
213.03935	6.8
231.05011	37.8
249.06134	11.8
249.58116	2.1
410.18533	30.9
411.15802	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	410.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
55.01858	2.0
55.05513	1.4
57.03421	1.7
57.07061	1.8
61.02933	1.2
61.11212	0.7
67.05508	1.4
68.99782	1.0
69.03433	7.0
69.07075	1.0
69.92572	1.7
69.92988	2.2
71.04993	10.2
72.71857	0.7
73.02913	1.7
73.06552	2.1
81.03419	7.5
81.16210	0.8
82.46057	0.7
83.08576	0.9
85.02908	20.8
87.00835	7.5
87.08138	1.3
91.03971	0.8
91.05513	0.8
97.02901	8.2
98.20840	1.0
99.04465	3.1
102.08758	0.7
105.01881	8.0
105.07087	0.7
109.02886	5.0
109.10155	4.5
117.01819	1.1
127.03913	12.8
127.11195	22.6
145.04970	6.0
145.12239	100.0
146.12578	1.4
159.02855	3.4
188.76817	0.7
213.03822	1.1
231.05034	2.6
237.37379	0.8
335.85910	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02378	2.2
51.05290	2.0
53.03940	2.4
55.01864	4.8
57.03433	5.6
60.05346	1.9
61.02929	3.2
61.77074	2.0
66.59518	1.9
66.89976	2.0
68.99776	4.6
69.03423	8.6
69.73221	13.2
70.06604	2.4
71.04976	4.7
81.03417	10.4
85.02907	28.8
87.00829	12.1
87.39124	2.0
91.05466	2.5
91.97856	2.1
95.13131	2.1
97.02911	10.8
99.04447	4.5
103.03955	2.4
105.01883	5.6
109.02859	6.5
117.05752	2.9
117.07002	5.6
118.06556	2.1
127.03908	8.9
127.11246	2.4
129.01852	4.1
129.06973	9.7
130.06557	16.4
132.08076	9.3
137.81172	2.1
143.07318	22.3
144.08092	100.0
145.05006	4.0
145.12228	6.8
156.08115	24.0
157.08841	5.4
158.06052	4.9
158.09665	95.1
159.02888	4.5
160.07620	8.0
162.09132	8.0
167.07301	5.8
168.08089	20.9
169.08810	3.3
170.09615	4.6
172.07599	3.6
174.09143	7.4
180.08110	5.4
181.08826	3.7
182.09653	7.2
184.07605	24.1
186.09154	91.1
187.09364	2.5
194.09647	3.8
196.07591	3.8
196.11218	4.4
198.09137	3.0
204.10217	78.9
206.09636	3.7
210.09148	5.0
224.10678	8.2
228.10194	5.1
252.10201	16.2
270.11240	8.8
271.35846	2.5
330.13486	5.7
348.14319	3.2
356.11288	9.2
374.12350	38.6
392.13397	47.7
410.18372	5.1
411.19855	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	409.331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04267	8.1
53.23819	6.5
55.05517	19.2
57.03423	17.3
57.07076	100.0
58.10703	7.3
60.24146	6.5
67.05492	17.5
69.07067	33.9
71.00258	6.8
71.08632	77.6
79.05493	14.9
81.07066	52.7
81.48735	7.8
82.33381	7.4
83.08606	19.4
85.10178	56.5
88.73824	8.6
89.06049	13.1
93.07048	26.6
95.08616	63.1
97.10191	17.2
105.07031	26.9
107.08582	33.5
109.06519	13.1
109.10165	30.1
111.11748	10.3
115.07563	28.0
119.08542	15.9
119.16246	7.5
121.10124	10.8
123.11729	17.2
127.07571	37.5
133.10135	15.0
135.08057	11.4
135.11707	15.8
137.13300	20.5
145.10147	11.8
145.22461	8.1
149.09543	7.2
149.13266	10.3
151.07588	42.0
159.11661	14.5
163.07555	16.1
163.14801	8.5
165.09135	37.2
173.13269	9.0
177.09114	33.0
179.10638	15.7
181.08548	10.1
191.10741	12.5
205.12340	8.3
279.05698	7.3
391.35583	20.1
408.34015	9.0
409.38043	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	10.1
55.05518	68.2
57.07080	29.4
67.05511	41.0
69.07072	86.1
69.93247	21.0
71.08622	19.5
74.74695	4.7
79.05495	19.7
81.07068	73.4
83.01349	55.0
83.08634	68.5
85.02896	17.5
85.10172	10.2
91.05480	17.3
93.07047	32.6
95.04971	10.4
95.08617	75.6
97.10194	40.6
98.20812	6.8
101.02392	11.4
105.07034	18.3
107.08585	30.8
109.02894	8.2
109.06528	12.0
109.10169	49.9
111.04433	8.5
111.08067	5.8
111.11724	14.6
113.02369	17.5
119.08614	13.2
121.06508	7.2
121.10166	22.8
123.04425	6.7
123.08082	12.9
123.11711	25.9
125.06001	14.7
125.09682	5.0
125.13293	6.6
127.03922	86.8
131.08560	10.3
133.10155	10.5
135.08070	10.0
135.11687	16.9
137.05977	20.4
137.09659	12.9
137.13254	14.2
147.08093	5.3
147.11714	8.0
149.09637	14.2
149.13284	12.8
151.07538	13.7
159.11714	9.6
163.07555	6.0
163.11205	5.3
165.09135	38.2
169.08629	15.4
173.13287	10.2
175.14758	7.0
177.09160	25.5
179.10689	13.4
183.10172	100.0
191.10901	4.9
193.12340	6.8
195.00485	4.2
195.10138	26.4
197.11725	28.4
205.12207	8.0
209.11745	17.1
211.13333	22.6
213.37938	4.5
219.13797	7.2
221.15424	4.9
223.13255	9.3
225.14905	17.3
237.14868	13.6
239.16452	33.1
247.17026	10.2
251.16451	29.5
253.18091	36.1
265.17944	28.0
267.19531	12.8
279.19510	26.1
281.21191	9.1
293.21100	15.7
295.22659	8.7
307.22623	13.6
309.24341	10.1
321.24243	14.8
335.25757	12.6
373.31091	14.2
391.32053	54.4
409.33469	22.1
409.37872	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	409.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34779	3.5
55.01870	5.5
55.05515	60.9
57.02233	2.9
57.03435	4.2
57.07091	25.9
57.74579	2.9
59.47643	3.0
67.05512	46.4
67.28853	3.0
69.07072	100.0
70.70540	10.3
71.08620	12.1
76.48037	3.2
79.05481	14.9
81.07065	70.7
83.01347	56.8
83.04996	6.5
83.08631	55.2
85.02896	17.3
85.10191	6.1
91.05492	14.3
93.07050	31.7
95.04950	10.1
95.08616	77.7
95.09233	4.5
97.06522	9.4
97.10178	33.9
101.02390	16.4
105.07027	16.5
107.05019	3.2
107.08602	32.6
109.06517	14.7
109.10168	51.2
111.04440	6.6
111.08048	4.2
111.11726	14.4
113.02395	21.3
113.06084	4.2
117.07004	4.5
119.08585	17.1
121.06512	10.6
121.10130	27.7
123.04467	5.5
123.08057	18.4
123.11697	27.6
125.06063	17.2
125.09628	6.2
125.13290	4.6
127.03925	58.1
129.05510	4.4
131.08546	8.5
133.06456	3.4
133.10136	14.6
135.08011	4.8
135.11667	19.5
137.05978	17.6
137.09631	13.5
137.13248	15.5
145.10165	5.1
147.08040	7.9
147.11728	7.2
149.09660	16.0
149.13297	7.4
151.07587	14.4
151.11232	4.7
151.14798	4.5
159.11638	5.0
163.11292	6.1
163.14854	10.1
165.09096	45.4
169.08661	15.9
175.14796	3.5
177.09109	23.3
179.10698	14.6
179.14311	3.6
183.10193	84.5
191.10568	4.1
191.14380	3.3
193.12209	4.4
195.10139	20.0
197.11758	24.3
204.80513	3.7
205.12344	6.5
207.13846	4.0
209.11655	16.3
211.13324	20.5
219.13789	6.1
221.15460	5.7
223.13280	11.1
225.14879	21.2
233.15392	7.4
235.16884	7.6
237.14946	18.6
239.16420	29.9
247.16910	6.9
251.16489	26.5
253.18031	36.9
265.18011	27.0
267.19534	17.7
277.19128	3.5
279.19513	19.8
281.21106	13.9
293.21106	9.8
295.22641	9.8
307.22690	12.4
309.24289	11.2
321.24240	13.1
335.25931	8.8
373.30988	10.3
391.32071	33.2
409.26416	5.9
409.33099	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	409.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.7
55.05511	62.0
55.93290	3.0
57.03433	4.7
57.06819	4.2
57.07080	48.5
59.71603	3.1
67.05508	41.0
69.07074	100.0
71.08636	33.7
71.30578	6.4
79.05489	28.5
81.07062	77.1
83.04982	14.1
83.08627	73.1
85.10186	13.7
91.05482	26.5
93.07047	56.3
95.04976	8.4
95.08037	6.3
95.08614	72.0
97.10168	51.1
105.07031	34.1
107.04977	8.3
107.08603	36.9
109.06525	40.6
109.10151	42.3
111.08038	4.0
111.11720	21.4
117.06998	9.0
119.08590	47.4
121.06480	12.0
121.10145	21.6
123.08079	35.1
123.11688	19.8
125.13272	9.4
126.67845	4.1
131.08601	10.7
133.10181	24.3
135.08089	17.6
135.11717	19.6
137.05983	5.2
137.09587	25.9
137.13293	6.0
141.05507	5.0
145.10132	10.4
147.08029	5.2
147.11690	16.2
149.09651	14.1
149.13266	7.8
151.07561	8.9
151.11269	6.5
151.14824	4.1
153.09116	6.0
155.07039	15.6
159.08049	4.5
159.11705	8.4
161.13292	12.5
163.07585	7.3
163.11198	8.3
163.14874	4.0
165.09099	16.9
169.08603	16.9
171.03061	3.9
173.13306	9.0
175.14810	6.5
177.09184	8.0
177.12837	5.6
177.16396	4.4
179.10622	7.4
183.10205	13.8
187.14825	6.1
189.16455	10.7
191.10747	11.9
193.12364	5.8
195.10266	4.8
201.16327	7.3
205.12231	7.9
215.18231	4.1
219.13905	6.6
219.17438	4.0
223.13336	4.4
233.15376	7.2
247.16928	8.3
265.18027	5.0
298.67038	4.2
303.23090	4.7
317.24875	4.4
327.30472	11.3
329.31967	7.4
345.31482	12.0
355.30243	6.8
373.30984	18.3
391.32141	11.3
391.75592	3.7
409.29001	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	409.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.9
55.01867	2.8
55.05302	1.9
55.05521	24.0
56.99495	1.9
57.07069	7.0
58.96219	1.9
59.05006	2.9
61.41784	1.9
65.03944	2.2
67.05511	19.8
69.03426	7.2
69.07066	8.7
69.98814	5.9
69.99221	4.5
77.48509	1.9
79.05497	22.6
79.54654	2.0
81.03414	2.5
81.07066	31.6
82.19303	1.9
83.04951	2.9
83.08608	2.7
85.06537	5.4
85.10136	1.8
91.05489	39.4
93.07052	45.8
95.04981	50.8
95.08042	3.2
95.08608	26.4
97.06511	5.1
103.05473	2.3
105.07041	100.0
107.08604	27.0
109.06538	10.4
109.10198	11.6
115.05489	3.8
117.07031	16.1
119.04975	3.8
119.08592	71.7
120.08886	2.8
121.06535	15.3
121.10157	17.5
123.08054	14.2
125.37855	2.0
128.06250	3.6
129.07005	9.4
130.07809	3.9
131.08601	24.8
133.06525	6.7
133.10150	17.3
135.08055	14.9
135.11710	6.9
137.09610	7.7
141.06989	3.6
142.07828	11.9
143.08563	14.1
144.09428	2.0
145.10143	36.1
147.08055	18.5
147.11699	47.1
149.09659	13.2
151.07561	14.7
153.06914	2.7
153.09067	2.4
154.07767	2.7
155.08568	6.3
156.09355	4.5
157.10126	22.4
159.08060	6.8
159.11693	12.2
160.08810	2.2
161.09615	6.0
161.13293	5.2
163.11220	5.1
165.09146	32.7
167.08690	2.0
168.09389	4.3
169.10207	9.8
170.10818	2.3
171.11684	6.9
173.09598	7.9
173.13286	7.3
175.11198	35.3
177.09116	5.1
181.10185	5.4
181.12195	2.1
183.11707	8.1
185.13232	3.2
187.11143	4.6
189.12782	5.1
191.14305	2.8
195.11755	4.1
197.13286	3.6
201.12762	8.5
201.16496	2.2
203.14357	13.8
207.11958	2.5
207.13785	7.8
209.13361	3.0
209.15359	4.6
211.11229	2.1
211.14873	5.0
215.14375	2.6
219.13872	6.0
221.13617	3.0
221.15384	74.3
223.14957	3.4
227.14297	2.8
229.15910	4.9
231.13878	4.2
233.15364	3.4
234.16133	19.5
286.19272	5.7
287.20129	7.3
300.20871	4.5
329.21133	4.1
391.26065	5.2
409.27350	43.8
410.27542	2.4
413.03195	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	409.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49761	3.5
53.03961	4.3
54.29060	3.6
55.05517	19.3
57.07080	6.4
59.69326	3.7
67.05509	26.6
69.03432	6.4
69.07064	11.4
71.57309	5.7
79.05504	30.7
81.07062	39.0
83.04950	5.4
85.06535	6.0
91.05481	43.1
93.07054	43.4
95.04973	48.4
95.08604	45.1
97.06520	13.3
105.04506	5.0
105.07037	100.0
107.04998	4.1
107.08619	28.5
109.06493	9.7
109.10139	10.6
117.07009	12.9
119.08583	71.8
121.06508	15.5
121.10149	17.0
123.08083	19.4
129.07033	10.7
131.08575	21.4
133.06442	7.3
133.10165	20.0
135.08064	16.6
137.09673	9.2
141.06955	4.0
142.07846	12.3
143.08577	13.9
145.10135	37.6
147.08083	24.7
147.11703	39.8
149.09607	10.8
151.07556	19.9
155.08530	8.7
156.09293	4.3
157.10138	19.6
157.11363	3.9
159.08063	8.6
159.11726	19.4
161.09613	9.4
161.13185	5.3
165.09146	33.9
168.09227	5.6
169.10127	10.9
171.11754	10.5
173.09579	7.4
173.13274	9.9
174.10498	5.5
175.11183	32.3
177.09184	7.0
181.10130	7.3
183.11713	14.7
185.09547	5.7
185.13164	5.6
189.12802	7.6
195.11859	3.9
197.13223	4.6
201.12759	6.1
203.14346	12.5
207.13725	5.5
209.15236	4.7
211.14763	6.2
221.15376	59.9
229.15858	5.1
234.16074	20.5
277.44626	3.8
287.19977	10.5
318.29306	3.8
329.21063	7.4
391.26514	7.5
409.27374	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57994	1.6
51.62703	1.8
53.03936	4.8
55.05298	1.7
55.05516	20.0
57.07079	5.5
59.05001	2.5
63.42215	1.7
65.03949	2.5
67.05505	22.6
69.03425	7.4
69.07068	6.7
71.02220	2.0
71.02551	3.3
71.04988	1.9
79.05501	19.2
80.87959	1.8
81.07062	28.1
83.04978	3.3
83.81068	1.6
85.06549	2.3
85.70989	1.5
91.05488	33.0
93.07050	38.5
95.04972	49.7
95.08614	23.9
97.02918	1.7
97.06539	6.0
103.05463	3.3
105.07037	100.0
107.04949	2.6
107.08611	24.4
109.06537	10.9
109.10164	7.8
111.08070	3.5
115.05466	3.8
117.07011	14.3
119.08590	66.2
121.06514	12.4
121.10157	16.0
123.08096	15.6
123.11707	2.2
125.06015	2.2
128.06233	3.7
129.07019	6.0
130.07764	4.8
131.08566	21.3
133.06488	6.4
133.10127	18.5
134.92921	1.8
135.08040	12.8
135.11729	2.9
137.09615	6.5
141.07014	4.5
142.00072	2.0
142.07823	10.4
143.08571	14.6
144.09369	2.0
145.10118	33.4
146.67139	2.0
147.08066	17.9
147.11703	45.5
149.09651	12.3
151.07555	15.5
153.09055	2.5
154.07982	1.8
155.08577	6.4
156.09366	4.8
157.10130	20.1
158.10944	2.4
159.08070	4.8
159.11688	13.5
161.09557	5.1
161.13289	5.3
163.11133	4.0
165.09148	29.4
167.08530	1.8
168.09433	1.9
169.10161	6.3
170.32167	1.7
171.11679	7.0
173.09636	4.4
173.13293	7.2
175.11182	29.1
177.09171	3.7
178.09912	3.5
181.10150	3.1
181.12276	2.5
182.10796	1.8
183.11722	7.5
185.13274	5.0
187.11212	3.6
187.14813	2.5
189.12743	5.4
193.10136	2.2
194.10818	2.4
197.13329	3.1
199.11237	2.2
200.58643	1.7
201.12810	8.7
203.14319	13.0
207.11815	2.2
207.13811	4.8
209.13373	3.0
210.13907	2.0
211.14876	4.5
213.12766	3.3
219.13869	5.5
221.13428	1.9
221.15378	52.2
225.16315	2.0
229.12431	2.0
229.15929	3.8
233.15382	4.8
234.16096	17.1
247.14783	1.8
281.19080	2.0
286.19247	2.2
287.19986	6.1
299.19931	2.4
300.20847	3.1
329.21243	3.7
349.05347	1.8
391.26425	3.7
392.31619	2.0
409.27386	39.8
409.33096	2.0
410.27753	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	409.274
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03949	6.5
55.05514	17.3
57.07074	7.6
59.05005	4.8
59.27564	2.5
67.05518	25.5
69.03434	8.6
69.07078	6.3
70.24568	11.2
71.04995	3.3
73.34252	2.7
79.05500	19.2
81.03408	3.3
81.07066	38.0
83.04989	6.0
83.08662	4.7
85.06569	3.3
90.02004	2.8
91.05490	41.8
93.07058	52.8
95.04980	53.0
95.08605	32.6
97.06534	11.1
103.05474	7.2
105.07043	100.0
107.08612	28.6
108.22057	3.2
109.06521	13.1
109.10160	24.9
115.05422	4.2
117.07044	14.3
119.04925	3.4
119.07787	5.5
119.08585	66.4
121.06515	22.0
121.10163	17.8
123.08080	21.0
123.11732	3.1
128.06241	6.4
129.07024	8.9
130.07764	5.9
131.08586	24.6
132.09413	4.4
133.06491	3.1
133.10143	24.6
135.08061	17.8
135.11714	3.5
137.09624	9.9
138.21057	2.6
141.06989	5.6
142.07779	12.5
143.08580	19.7
144.09364	4.3
145.10135	40.5
147.08052	16.7
147.11705	37.0
149.09599	13.0
151.07576	25.3
153.07051	4.1
153.09132	3.0
155.08563	12.9
156.09404	3.6
157.10164	26.6
159.08076	7.9
159.11679	14.3
161.09647	8.6
161.13258	6.0
163.11147	6.7
165.09129	33.0
168.09352	4.4
168.40562	2.6
169.10095	16.5
170.10928	3.8
171.11681	13.2
173.09721	4.2
173.13237	8.2
174.63405	2.6
175.11206	22.2
177.09128	5.1
181.10143	5.0
181.12318	2.9
183.11668	12.9
185.09464	2.8
185.13196	5.8
187.11183	7.8
187.14899	4.3
189.12730	10.3
193.10175	3.4
195.11716	4.6
196.12494	3.5
199.11174	6.4
199.14784	3.5
201.12793	9.6
201.16454	3.4
203.14391	16.0
207.11902	3.3
207.13829	9.8
209.13402	2.8
209.15396	4.6
211.14857	8.7
213.12750	3.9
218.44255	3.0
219.13795	5.1
221.15378	66.0
229.15845	5.4
234.16194	12.1
243.13695	3.1
253.15965	3.8
286.19223	5.4
287.20090	10.3
300.20972	4.1
329.21210	4.5
335.20184	3.2
337.04056	3.2
373.25357	4.3
391.26364	8.3
409.27380	66.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2586
Annotation	Asebotoxin II
Peak:m/z	Relative Intensity
53.03944	0.6
55.01868	1.8
55.05269	0.7
55.05515	11.1
55.08653	0.5
57.03449	3.3
57.07083	6.8
67.01865	1.1
67.05508	8.5
68.99799	7.0
69.03408	0.8
69.06727	1.0
69.07074	14.4
70.12704	1.3
71.04983	0.9
71.08617	2.5
71.22326	0.6
77.20402	0.6
79.05494	5.1
81.03405	1.3
81.06583	0.6
81.07063	10.5
83.04992	2.7
83.08621	9.1
85.02887	0.9
85.10167	0.8
87.00801	0.7
89.34695	0.5
91.05470	2.2
93.07056	7.8
95.04985	1.2
95.08058	0.7
95.08616	9.2
97.02891	1.4
97.06538	5.4
97.10167	5.8
105.07005	2.0
107.04970	1.3
107.08606	6.2
109.06541	1.5
109.10146	4.9
111.00808	22.0
111.04458	5.2
111.08072	1.8
111.11707	1.7
117.07015	1.0
119.08588	1.5
121.06512	1.5
121.10158	6.8
121.23148	0.6
123.08092	0.8
123.11708	2.2
125.05983	3.2
125.09602	1.3
126.03162	0.7
127.03935	7.7
131.08566	1.6
133.10133	1.5
135.08081	1.9
135.11687	5.3
137.13194	0.6
139.03908	16.7
139.07535	1.8
139.11182	0.9
145.10025	1.3
147.11789	0.7
149.09633	1.3
149.13226	2.8
153.05479	0.9
153.09143	2.7
157.08659	1.0
159.11713	1.0
163.07552	0.8
163.11185	1.4
163.14867	1.0
167.07062	2.0
167.10651	1.0
167.14302	0.7
171.10205	1.3
171.11520	0.6
173.13232	0.7
177.12753	1.2
181.08598	2.3
181.12157	1.3
185.11815	1.2
191.14365	0.6
195.10155	3.5
195.13791	1.4
199.13248	0.7
205.12350	0.6
209.11766	5.6
209.15282	0.7
213.14777	1.0
223.13275	4.7
224.93517	0.6
237.14865	5.4
245.71219	0.6
247.20680	0.9
251.16389	4.6
265.18069	2.3
265.21591	4.4
275.20044	0.7
293.21097	4.6
307.22672	24.1
308.23154	0.9
317.21201	1.2
335.22180	100.0
336.22571	3.4
376.99487	0.5
409.25912	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	409.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.9
55.05508	42.2
67.05508	96.7
69.03436	29.1
69.07064	33.6
70.71648	7.5
70.73335	7.7
71.04987	11.2
71.56895	13.7
79.05492	69.8
81.03426	45.9
81.07063	100.0
82.01925	9.9
83.04996	16.9
83.08633	23.7
85.02909	22.6
91.05485	68.2
93.07063	87.3
95.04955	28.1
95.08604	87.3
97.02897	10.5
97.06507	13.3
104.08025	7.9
105.07049	68.2
107.04984	11.7
107.08619	61.5
109.06555	12.0
109.10176	35.2
111.00804	8.9
111.04462	14.5
111.08143	11.0
117.07001	23.9
119.08575	45.6
121.06471	11.2
121.10177	45.5
123.08121	8.3
123.11722	13.2
129.07022	21.6
131.08620	47.7
133.10155	36.6
135.11693	26.6
137.09641	12.0
139.03931	19.1
143.08572	17.7
145.10132	55.7
147.08055	10.1
147.11708	31.5
149.09608	8.7
149.13268	10.4
155.08589	13.4
159.08000	9.8
159.11682	29.1
161.13249	17.6
171.11623	16.4
173.09647	13.0
173.13263	14.3
247.20602	21.4
247.96278	11.0
265.17996	11.6
277.21790	11.7
289.21457	16.1
293.17526	46.7
306.93204	10.3
355.22580	26.4
373.23645	21.4
377.19687	45.3
391.24820	24.7
409.25729	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.5
55.57990	0.5
56.42356	0.5
56.96566	0.8
67.05511	0.7
69.03428	1.0
71.56257	0.5
71.56696	0.6
73.99915	0.4
79.05474	0.6
81.03438	1.1
81.07035	0.7
84.08147	1.3
85.02905	1.8
89.07472	0.5
91.05482	1.2
91.70385	0.5
93.07079	1.0
95.04977	1.1
95.08630	0.6
97.02878	1.3
98.97559	1.0
99.08134	0.5
105.07013	0.8
107.08594	2.3
109.02875	0.9
109.10175	1.1
116.98566	0.6
121.10152	0.7
123.04447	0.7
125.09627	1.1
127.03931	2.0
133.10123	3.4
135.11667	0.7
137.05971	0.6
145.10181	0.6
161.09567	0.7
163.03705	0.5
164.07451	0.5
169.15311	0.5
175.07483	0.6
179.10678	1.4
197.11696	2.3
199.89333	0.5
219.10143	0.5
229.12054	1.0
237.02800	0.6
247.06010	1.0
247.13063	1.0
285.09457	1.1
408.69217	1.2
409.18344	100.0
409.69675	0.8
410.18695	1.3
427.16516	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	0.3
69.45512	2.6
91.05473	0.4
107.01101	0.5
107.08582	0.5
109.10156	0.4
158.99785	0.4
175.40283	0.3
212.17328	0.5
247.13091	2.8
258.11282	0.8
312.15530	0.4
409.18329	100.0
410.18631	2.8
425.57913	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
55.01883	1.1
55.05514	8.0
57.03434	2.2
57.07069	1.2
67.05173	0.4
67.05508	6.8
67.06366	0.3
68.50728	0.4
68.99436	0.4
68.99793	5.4
69.07072	7.5
71.01889	0.4
71.03391	0.4
71.04985	1.2
71.08633	0.8
79.05495	5.8
81.03429	1.2
81.07058	12.1
83.04972	1.2
83.08625	8.7
85.06553	0.8
87.00832	1.0
91.05495	1.8
93.07048	4.9
95.04987	0.5
95.08610	10.6
96.96996	0.4
97.06530	1.9
97.10164	4.0
99.04446	0.8
99.08092	0.5
105.07041	0.8
106.26144	0.3
107.08598	5.3
109.02869	1.4
109.06548	0.5
109.10128	1.8
109.10813	0.3
109.80122	0.3
111.00802	9.7
111.04422	0.8
111.08099	2.3
111.11749	0.5
111.69530	0.3
119.08582	0.6
121.10155	5.2
123.08101	0.4
123.11715	1.0
125.05981	0.5
125.09615	0.8
127.03918	100.0
128.04260	0.8
131.08604	1.5
135.08041	0.4
135.11708	0.9
139.03912	3.8
139.07582	0.4
147.11682	0.6
149.09694	0.6
149.13306	0.4
153.01842	1.3
153.09129	0.5
163.14812	5.8
169.04985	0.8
173.13263	1.6
177.16357	0.4
181.08644	0.5
181.15872	2.0
187.14798	0.6
191.14290	0.9
193.08502	0.3
195.10204	0.4
209.11760	0.5
209.15358	1.9
221.28331	0.3
223.16924	1.6
225.18526	0.6
227.16489	1.1
245.17648	0.7
247.16989	0.3
247.41084	0.4
265.17963	4.3
289.17938	0.9
293.17474	17.4
307.19089	6.5
317.17462	3.5
319.62451	0.4
335.18530	43.9
336.18771	1.3
380.90533	0.3
402.36212	0.3
409.22256	2.7
419.67892	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.3112
Annotation	Asmarine J
Peak:m/z	Relative Intensity
55.05515	2.8
57.07062	0.9
61.68975	0.5
66.55343	0.5
67.05517	2.6
67.05822	0.5
69.03427	0.6
69.07068	4.4
70.06590	1.0
70.96825	1.3
71.08634	6.0
79.05491	1.4
79.38213	0.5
79.55349	0.5
81.07060	3.6
82.06594	0.8
83.08614	2.0
86.06056	0.6
91.05470	0.9
92.58606	0.5
93.07040	1.9
95.04986	0.7
95.08615	3.5
96.08142	0.6
97.06503	1.6
97.10130	0.6
98.06030	1.1
98.09673	0.9
99.08080	2.5
107.08598	1.7
108.08167	0.6
109.10169	1.4
110.09658	1.1
111.08093	0.9
119.08598	0.6
121.10166	0.7
121.53404	0.5
122.09660	1.4
124.07607	1.0
125.09558	0.5
133.10185	0.6
138.09114	0.5
142.08630	0.6
142.12286	7.2
150.09120	0.9
152.10713	0.9
153.12766	0.7
163.09903	0.6
164.10710	0.7
166.08675	1.5
166.15927	1.4
176.10716	1.3
177.11447	0.5
178.15887	1.1
193.97166	0.5
194.11862	0.6
196.16998	1.9
210.18565	0.8
220.16992	1.3
233.15707	0.6
236.16594	0.7
238.18031	10.4
250.17871	0.6
256.19116	6.0
257.19507	0.6
292.22745	0.7
310.23810	2.3
334.23773	0.7
354.54791	0.5
390.29953	8.4
408.31107	100.0
409.31302	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	409.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	11.7
69.03441	4.7
70.22746	12.7
77.00900	4.0
82.99857	7.1
85.02920	7.3
89.03934	4.9
91.05493	4.6
95.02029	3.7
97.02910	5.7
98.97592	14.9
101.00881	33.9
110.05316	4.0
110.97556	3.8
112.99141	3.7
113.00861	9.6
115.02448	10.2
116.98610	5.6
117.03338	4.2
119.01930	84.6
119.04951	4.2
121.01685	3.4
127.02436	5.5
127.03886	4.6
128.98680	4.3
131.01901	37.7
133.03474	31.9
134.99672	3.3
135.03282	4.8
135.04370	5.9
137.02950	7.6
142.01115	6.5
143.01907	77.6
145.03542	25.1
146.99644	8.4
147.04349	20.0
149.01236	4.5
149.02963	5.9
151.04543	5.9
155.01939	22.5
156.02748	4.8
157.03493	21.6
158.99672	5.4
159.01480	3.7
159.05035	7.4
160.02208	6.5
161.02975	100.0
162.03050	6.3
163.02658	6.8
163.03842	32.6
165.00745	4.4
167.01947	4.5
168.99855	12.4
169.03513	13.8
171.01422	16.2
171.05042	6.8
173.02963	45.0
175.02989	5.1
175.04510	13.2
177.00703	4.4
183.01527	4.0
184.02206	7.6
185.02968	18.3
187.00935	18.7
187.04663	16.1
189.00748	7.8
189.02466	22.0
191.03999	13.7
197.02980	7.6
199.00896	15.6
199.04561	10.8
201.02501	11.8
203.02368	5.2
203.03995	24.5
207.03534	4.7
211.00903	5.0
213.02533	5.5
215.00490	8.8
215.03998	7.4
217.01967	27.2
217.05571	7.6
219.01703	5.1
219.03571	7.5
221.03185	5.5
229.01968	5.3
231.03574	28.1
233.05023	4.1
235.06615	39.6
243.03688	5.8
247.03041	11.7
249.04572	4.5
251.04462	25.7
253.01917	4.6
253.07735	19.8
259.03027	13.1
263.06219	7.8
269.05411	32.3
275.02805	6.5
275.09790	3.4
277.07867	15.2
289.04062	62.8
289.07635	31.9
291.05664	7.2
293.05258	19.1
301.04092	24.9
301.11328	9.5
303.09314	28.3
307.02054	5.1
307.05148	58.7
307.08582	6.4
308.05075	5.2
311.06635	7.7
317.02499	3.5
319.05511	16.8
319.08774	15.4
323.06668	5.1
329.07132	12.4
333.06754	6.3
341.07574	5.7
347.08167	8.0
347.11932	12.6
349.06451	4.6
365.07706	8.4
373.06000	5.8
377.05658	3.9
391.06873	5.3
391.11118	8.8
409.09134	12.1
427.10782	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	4.7
55.56309	1.0
57.03425	4.7
57.07075	5.9
67.05495	5.8
69.07070	3.2
70.63326	1.5
70.63666	1.6
71.08632	5.5
71.24892	1.0
71.49696	1.1
72.08154	2.9
79.05475	2.1
81.07066	7.3
83.08637	1.9
85.10204	1.9
89.06045	2.5
93.07073	1.8
95.08605	10.0
97.10147	1.4
105.07038	2.0
107.08608	2.2
109.10130	3.5
113.00027	100.0
119.08598	1.3
121.10130	1.7
123.11719	1.6
133.08630	1.5
133.10179	1.8
135.11726	1.3
145.10098	1.8
147.11667	1.1
148.22961	1.0
153.20491	0.9
161.13214	1.2
169.02628	95.8
407.36627	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	407.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	4.9
57.07085	12.2
65.03950	3.0
66.97456	1.4
67.05508	3.3
67.52891	1.4
67.73360	1.4
69.07076	22.8
71.08640	12.5
73.06521	1.3
79.05523	2.2
81.07071	5.9
83.08638	2.1
86.94956	1.4
89.06055	3.0
91.05477	1.8
93.07072	4.3
95.08591	8.2
97.19586	2.0
105.07044	2.8
107.08597	4.0
109.10178	4.7
111.11729	8.3
113.00027	20.8
113.13303	2.9
119.08612	3.6
121.02890	4.4
121.10193	2.7
123.11834	1.6
129.12759	3.1
131.08556	2.4
132.13509	1.6
133.08591	1.7
145.10103	3.4
149.02359	100.0
167.03439	7.5
169.02618	18.1
190.05107	2.1
407.29715	1.9
407.36517	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.6
57.07078	9.7
65.03943	4.4
67.05514	23.6
69.07079	9.0
70.05268	6.4
71.04974	5.8
71.08627	7.0
81.07044	6.3
83.08618	6.2
85.10162	3.5
87.65671	1.9
89.06023	2.6
95.04958	11.3
95.08613	7.9
97.10177	4.6
99.04437	8.2
103.08936	1.9
105.07003	3.5
109.10145	4.9
111.11703	3.4
113.06021	4.0
119.08614	2.2
121.10197	2.0
123.04424	14.7
125.06017	8.7
133.10126	3.6
139.07582	3.0
139.68019	2.1
141.05472	100.0
151.11105	2.2
159.11752	1.8
168.73354	1.9
173.10995	1.7
175.01411	1.7
221.26505	2.1
296.90677	2.3
389.34161	9.5
407.35284	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	408.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	2.6
69.03431	3.0
69.07076	5.0
70.70099	7.2
74.76537	2.9
76.24802	2.3
85.02902	11.6
91.05492	9.9
93.07054	5.7
95.05011	3.2
97.02882	5.5
98.21917	3.2
105.06997	6.3
107.08584	5.8
109.06521	6.0
119.08581	4.0
123.10295	2.6
125.09621	8.0
131.08612	5.4
133.10141	44.9
137.06018	2.8
140.29701	2.8
147.11676	10.2
151.11197	31.4
152.05643	2.5
152.70065	2.4
155.07034	9.4
165.12752	3.0
175.11255	6.6
193.12282	24.5
210.85657	2.5
211.13309	100.0
212.13554	3.3
229.14326	19.1
246.11333	12.4
322.01614	2.7
330.76959	3.2
331.09363	5.8
349.10370	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2068
Annotation	Trichothosporon A
Peak:m/z	Relative Intensity
53.03950	9.9
55.01863	14.8
55.05523	29.8
57.03430	7.7
57.07071	5.1
58.38480	4.9
59.51299	4.3
61.02919	8.7
61.92809	5.6
67.05514	33.5
68.01369	4.6
68.99784	12.8
69.03085	5.2
69.03436	67.7
69.07078	31.3
71.05009	6.7
71.56941	7.0
79.05497	27.6
81.03439	28.7
81.07074	55.2
83.04971	13.3
83.08619	9.5
85.02898	20.3
87.00841	22.8
91.05490	48.8
93.07047	45.0
95.04985	27.8
95.08627	100.0
97.02892	17.8
97.06530	21.9
97.10196	6.4
99.04488	6.5
99.08134	6.9
103.05483	4.9
105.01910	7.2
105.07040	65.9
107.04971	20.9
107.08604	47.7
109.02847	6.2
109.06533	10.8
109.10158	27.8
111.04434	10.0
114.63664	5.0
115.05481	6.5
117.07017	18.3
119.08588	80.2
121.06496	14.8
121.10167	59.6
123.04394	12.7
123.08081	11.7
123.11729	40.4
125.06026	5.8
127.03867	8.9
129.01848	8.6
129.07013	27.0
131.04929	5.5
131.08578	53.9
133.06544	8.3
133.10146	60.6
135.08015	14.1
135.11702	19.3
137.05130	5.1
137.06071	6.4
137.09598	7.9
141.06999	13.2
142.07788	6.0
143.08577	31.8
144.09360	6.8
145.06499	10.0
145.10139	54.9
147.08047	17.7
147.11708	23.5
149.09645	9.7
149.13364	7.0
151.07516	6.1
155.08556	19.8
156.09354	7.9
157.10146	39.3
158.10736	5.8
159.08107	11.3
159.11731	61.0
161.09663	11.7
161.13257	20.6
163.07539	6.2
163.11172	9.5
163.14801	5.6
169.10107	15.1
171.08145	8.0
171.11728	28.5
173.09587	15.5
173.13306	43.9
175.07632	6.3
175.11177	9.5
175.14848	57.9
177.16403	11.0
179.08641	5.4
181.10162	6.4
183.11754	15.8
185.09587	6.0
185.13243	10.6
187.11214	8.9
187.14844	45.2
189.16414	22.3
192.09174	5.0
195.11740	7.5
197.09660	6.5
197.13252	11.3
199.11218	11.9
199.14839	24.2
201.12750	9.1
201.16368	19.5
203.10710	6.8
207.11684	7.4
209.13226	13.2
211.11272	13.0
211.14799	9.5
213.16371	17.1
215.14349	7.0
217.15936	33.1
223.14772	6.3
225.12714	7.8
225.16483	7.5
227.14284	13.2
229.15941	6.4
231.17514	7.5
235.16908	7.7
239.17955	9.7
241.15862	8.0
243.13782	6.0
243.17416	7.3
261.18594	6.4
267.17383	24.4
285.18515	48.3
303.19574	35.0
371.18576	8.3
389.19540	39.4
407.20813	58.2
407.29822	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	407.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	13.0
55.05516	26.8
57.03423	6.5
57.07085	7.9
59.04997	6.3
65.03972	5.7
67.05511	31.5
69.03437	100.0
69.07081	23.5
69.45334	28.7
69.45736	11.5
71.05006	31.3
77.85385	5.0
79.05489	28.9
81.03426	70.0
81.07066	70.3
83.04993	16.1
83.08639	7.9
85.02912	25.0
85.06546	9.5
91.05495	36.1
93.07055	77.4
95.01354	8.2
95.04974	23.7
95.08613	55.0
97.02896	15.3
97.06567	7.1
97.10157	11.0
99.04465	11.8
99.08112	14.7
105.07040	71.7
107.04962	9.2
107.08612	57.1
109.06532	17.8
109.10151	35.7
111.04453	15.1
111.08097	8.8
117.07023	14.5
118.93639	5.8
119.08600	54.0
121.06505	12.0
121.10136	55.3
123.04479	7.6
123.08080	16.7
123.11707	31.1
125.09676	7.8
127.03922	18.8
127.07549	27.3
127.11261	6.7
129.07036	11.4
131.08572	22.4
133.06490	5.9
133.10176	29.4
135.08040	12.2
135.11729	10.8
137.06009	9.6
137.09671	26.2
139.07538	4.4
139.11203	21.2
142.07747	12.6
143.08572	15.5
145.06499	10.8
145.10161	38.9
147.08063	5.5
147.11705	46.8
149.09641	11.6
149.13292	23.5
151.11169	8.2
153.09171	5.9
155.08601	9.2
157.10159	32.9
159.08122	13.5
159.11751	32.2
161.09715	7.5
161.13298	14.7
163.07558	9.0
163.11235	5.5
167.10698	11.7
169.10136	11.8
171.08047	6.5
171.11687	25.7
173.09708	6.2
173.13271	15.0
175.11209	24.2
175.14760	8.4
177.12796	8.9
181.10101	8.4
183.11775	7.4
185.09653	5.9
185.13301	8.5
187.06033	25.2
187.11163	8.0
189.09088	5.0
189.12752	10.3
194.11020	4.7
197.13409	11.0
199.11263	5.8
201.12914	6.7
201.16425	11.7
203.17998	7.4
205.12396	7.0
207.11720	6.8
209.11501	7.1
209.13446	5.9
215.14343	5.3
215.17924	7.9
217.12279	10.6
219.17403	9.6
225.12756	18.4
227.14339	7.7
231.17508	6.8
233.19019	11.2
235.13359	5.4
239.14490	9.4
241.10693	5.2
241.15808	5.2
243.13777	14.4
243.17413	11.0
245.19147	4.8
261.18607	14.5
283.20261	6.9
293.18979	6.7
311.20108	14.5
329.21143	13.9
389.23120	11.3
407.18387	6.7
407.24118	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	407.2066
Annotation	Xerophilusin K
Peak:m/z	Relative Intensity
53.03933	1.0
55.01855	1.7
55.05517	6.0
55.18446	0.4
57.03449	0.6
57.07065	0.7
65.03916	1.0
67.01874	2.6
67.05508	12.3
68.99793	8.7
69.03385	0.8
69.06729	0.7
69.07071	7.4
70.03660	0.8
70.04055	1.4
71.01353	0.5
71.04966	1.8
74.46463	0.5
79.05495	6.4
81.03394	1.6
81.07063	18.8
83.04984	2.9
83.08628	5.8
85.02917	1.1
85.06536	2.7
87.00832	0.9
87.31710	0.5
88.06734	0.5
91.05486	4.2
93.07056	7.8
95.04982	2.7
95.08616	26.7
97.02869	1.1
97.06536	8.7
97.10173	3.1
99.08092	1.0
102.76752	0.4
105.07050	4.9
107.04932	1.6
107.06018	0.5
107.08618	4.1
109.02805	0.6
109.06498	1.8
109.10173	7.5
111.00051	0.8
111.00810	14.6
111.04453	3.8
111.08066	1.5
115.65240	0.5
117.06989	1.5
119.08597	7.7
121.06473	0.7
121.10140	3.8
123.04408	1.5
123.08086	2.7
123.11689	1.5
125.05980	1.9
125.09612	0.9
127.03925	7.2
129.18773	0.4
131.08553	1.4
133.06520	0.8
133.10141	5.5
135.08043	1.3
135.11723	2.4
137.05997	0.6
137.09608	2.1
137.13228	2.1
139.03908	45.6
139.07489	1.2
139.11206	0.8
143.08502	1.0
145.10104	1.1
147.08034	1.7
147.11671	2.8
149.09647	0.8
149.13202	0.7
151.03896	0.8
151.07541	1.0
151.11183	1.3
151.14798	1.3
153.05437	1.2
153.09073	1.0
157.10095	1.5
159.11697	1.0
161.09633	0.8
161.13252	6.7
163.07489	0.8
163.11151	0.7
165.05444	0.9
165.09090	1.6
167.07031	0.9
167.10698	0.8
171.11739	0.6
173.13286	1.1
175.14880	3.9
179.07024	0.8
179.10645	0.5
179.14270	4.2
181.08600	1.6
185.13255	2.7
193.15906	1.0
195.10191	1.3
197.15463	2.5
199.14857	0.7
201.16307	0.5
203.14291	1.4
205.31042	0.6
207.10164	0.6
215.16412	2.1
217.15932	0.7
221.15451	4.0
227.14276	0.5
235.16891	1.4
237.18742	0.5
239.16386	2.3
241.15875	0.6
245.15288	1.0
251.16481	1.5
259.16928	0.8
263.16367	3.4
277.18015	7.9
279.19583	2.1
281.17487	100.0
282.17923	2.6
287.16324	1.4
305.17499	11.1
321.20459	2.7
347.18542	7.5
363.21680	1.2
365.19672	1.2
389.19608	27.5
390.20047	0.8
407.20670	21.2
407.29333	0.8
408.21176	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2065
Annotation	Trichothosporon A
Peak:m/z	Relative Intensity
53.03950	5.7
55.01864	18.7
55.05509	26.7
56.87928	5.7
57.03430	13.9
57.07066	5.5
61.02919	12.0
63.34085	4.4
65.03924	6.8
65.61274	4.6
67.05508	26.7
68.99779	16.2
69.03430	62.7
69.07072	27.4
69.71137	12.4
69.71538	16.7
71.04985	14.9
74.12959	4.2
79.05497	29.4
79.34380	4.2
81.03424	35.5
81.07067	52.7
83.04962	13.8
83.08636	8.9
85.02894	29.0
85.06528	8.8
87.00845	31.0
89.03904	6.5
91.05476	47.3
93.07028	45.5
95.04969	21.2
95.08059	4.8
95.08611	56.3
97.02888	32.3
97.06514	7.0
97.10163	10.9
99.04475	5.1
99.08091	8.1
101.02285	5.1
105.03382	5.3
105.07039	66.1
107.04961	38.6
107.08611	60.2
108.98872	4.4
109.02853	14.2
109.06483	6.1
109.10165	43.2
109.61369	4.7
111.04419	13.9
111.08057	5.3
115.03924	11.5
117.07040	17.5
119.04948	14.4
119.08601	87.4
121.06483	12.2
121.10133	51.8
123.04395	9.6
123.08087	6.2
123.11699	18.0
127.03925	11.7
128.06216	8.0
129.01851	12.2
129.06982	22.9
130.07845	5.5
131.08568	51.9
133.06462	6.8
133.10143	100.0
135.04433	10.8
135.08041	16.3
135.11707	30.4
135.45746	5.2
137.02357	21.6
137.05933	6.1
137.09660	5.5
137.13228	5.4
141.06984	7.2
142.07777	17.5
143.08568	32.8
144.09373	10.1
145.02858	4.6
145.06474	7.3
145.10135	59.0
147.04416	52.7
147.08017	14.0
147.11674	31.0
148.04733	6.9
149.09625	13.1
149.13237	17.0
151.07552	7.7
153.06993	5.3
154.07866	4.7
155.08563	23.6
156.09380	11.7
157.06506	4.9
157.10161	52.5
158.10892	14.7
159.08012	12.9
159.11703	70.1
161.09639	14.6
161.13245	18.9
163.03949	42.3
163.11180	9.1
163.14767	8.7
167.08575	9.4
169.10123	23.9
170.10921	8.5
171.11693	47.4
173.09645	10.6
173.13277	86.5
175.03899	33.3
175.11166	14.6
175.14844	66.4
177.09161	9.2
177.12766	7.5
177.16403	20.3
181.10097	9.2
182.10875	9.6
183.11671	21.3
185.09625	9.9
185.13251	24.5
187.03835	9.0
187.11168	7.4
187.14845	44.2
189.12799	6.4
189.16455	24.7
193.10168	7.5
193.15991	6.2
194.11018	5.9
195.11621	7.9
197.13252	11.1
199.11304	7.1
199.14812	25.3
201.12727	6.3
201.16356	15.5
203.14349	8.6
205.15787	10.6
209.13239	17.9
211.11240	6.1
211.14778	11.7
213.16350	18.3
215.14262	12.1
217.15909	22.4
223.14920	5.3
225.12721	9.1
225.16377	7.6
227.14310	28.5
229.06975	5.7
229.15874	10.2
231.17502	7.5
235.16983	5.3
239.17807	6.4
241.15929	6.9
243.17513	11.5
245.15419	5.6
246.11237	30.4
267.17426	19.9
285.18527	54.0
287.06982	5.5
303.19583	35.0
315.06424	5.4
321.20621	8.6
323.09079	8.0
331.15387	5.8
338.76605	5.2
349.16486	11.2
351.08636	9.6
371.18585	8.6
379.08173	39.3
389.19482	32.4
407.07248	16.9
407.12268	8.2
407.20926	80.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.27909	4.1
67.05499	7.9
69.03428	6.3
69.07054	5.1
69.41270	8.8
69.41676	34.9
70.06596	10.8
71.05003	8.7
79.05498	6.5
81.07050	9.6
83.05005	6.6
85.02909	14.8
91.41389	4.2
92.63332	4.9
93.07054	9.0
95.08622	19.3
97.02880	6.1
97.06496	9.8
105.07030	7.2
107.08595	7.1
108.22728	4.8
109.10144	7.7
118.06501	4.4
121.10148	18.9
123.11719	19.3
131.08563	9.2
133.10133	100.0
145.04971	6.8
149.09627	12.2
151.11179	43.9
163.14771	8.1
173.13228	33.1
191.14301	52.0
209.15387	37.9
217.89514	5.3
227.16461	12.9
302.25433	4.7
427.80890	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	406.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39133	3.1
54.35690	3.2
55.05519	4.9
55.84309	3.3
67.05480	4.7
71.04976	4.2
71.45765	6.0
79.64240	3.4
91.05462	5.5
93.07051	11.7
95.08608	9.1
105.07020	9.5
107.08602	5.7
109.10139	4.6
111.30709	3.2
116.80550	3.5
119.08601	4.8
120.31685	3.2
121.06509	3.3
121.10120	4.9
123.11646	4.5
124.07592	5.0
131.08575	8.9
133.10143	100.0
133.17691	3.4
135.11743	4.5
142.08661	3.9
151.11166	11.6
158.10866	3.9
173.13261	24.5
191.14369	41.4
209.15341	31.5
406.17819	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	406.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67036	2.9
53.03942	3.4
55.01867	3.8
55.05500	5.1
57.07068	4.3
65.03935	4.2
67.05173	5.1
67.05511	78.1
68.77895	2.7
69.03446	18.5
73.02931	3.6
79.05500	6.0
81.03402	12.2
81.07065	80.1
81.27648	2.6
81.37090	2.7
85.02916	43.3
86.36547	2.7
87.00832	21.0
91.03884	2.6
91.05495	3.1
93.07021	4.1
95.08596	9.8
97.02908	33.0
98.97565	3.6
99.04451	10.4
105.01898	42.6
105.07031	5.7
107.08605	7.7
109.02872	5.6
119.08624	5.6
120.23431	2.8
120.45374	3.0
123.11724	100.0
127.03922	49.5
145.04968	35.7
145.10126	3.7
159.02893	8.1
205.65990	3.2
231.05061	19.2
249.05931	6.8
296.53149	3.7
378.18176	6.6
406.17682	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	406.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	11.7
57.03457	6.0
69.03442	5.8
69.07092	4.9
69.53098	31.7
81.07059	6.3
83.04974	12.5
83.08633	10.4
85.02919	6.3
93.07034	9.1
95.04973	73.4
95.08615	8.7
99.04478	12.0
107.08598	9.3
109.10220	8.0
115.71332	5.3
118.87234	5.0
121.10178	6.6
123.04546	5.7
131.08722	4.9
133.10178	12.5
147.04488	5.4
151.11218	17.2
153.09129	11.5
167.14325	26.6
173.13322	6.8
209.15367	100.0
332.61395	5.1
358.71243	6.0
362.46494	5.8
406.06360	18.7
406.17642	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	406.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86962	0.8
55.01878	2.4
55.05511	1.8
56.05042	6.2
57.03440	3.8
58.99585	10.0
59.01908	0.9
61.01153	0.8
67.88609	0.8
68.05029	1.7
69.07062	1.1
71.05371	1.5
71.05726	1.0
73.01141	1.5
74.00639	1.3
74.02455	0.9
76.01824	1.3
76.02235	17.4
76.03994	1.9
79.05497	5.5
79.05889	0.8
80.04995	1.2
81.06583	1.1
81.07058	18.7
83.06104	2.1
84.04510	25.2
84.10807	0.7
85.01126	3.6
86.00674	5.3
86.99048	6.7
87.02700	5.2
87.21467	1.0
88.02224	2.1
93.07063	0.8
95.08601	3.0
96.08128	1.2
96.26572	0.8
97.01138	0.9
97.06528	1.9
98.09698	12.0
98.21072	1.2
99.08112	3.8
101.48627	0.8
102.05551	3.8
105.07040	1.5
110.09685	3.0
112.03954	2.6
113.04243	6.0
114.05631	0.8
115.05787	2.4
116.01685	19.7
122.09672	1.2
123.08019	1.0
127.05823	1.8
129.06584	2.8
129.07423	1.2
130.05014	7.1
130.06866	5.1
130.08611	1.4
131.08545	0.9
139.05734	2.4
142.03244	1.9
144.01141	6.0
145.05983	1.1
149.09625	0.9
154.17496	0.7
156.08426	22.4
156.10210	11.3
157.06850	8.0
162.00951	1.5
162.02219	17.8
170.02631	0.9
174.09512	11.0
179.04877	7.0
189.03326	1.7
199.11221	0.8
210.11275	2.6
216.06931	4.1
233.06012	3.1
242.08376	1.2
253.30313	0.8
259.11136	100.0
260.09320	1.5
260.11740	1.3
285.12668	1.3
291.05954	0.9
310.35837	0.9
313.12180	3.1
331.13278	5.9
388.15259	1.2
406.16544	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	406.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.3
55.05499	3.2
56.05035	7.5
57.03436	8.0
58.99588	15.5
67.05506	13.2
69.03426	5.3
69.07059	4.6
71.04982	5.6
71.55411	2.5
75.56738	2.4
76.02231	25.3
76.03985	3.4
79.05491	13.5
81.03418	2.4
81.07063	25.5
83.04980	3.5
84.04507	23.1
85.02901	14.2
85.06066	4.4
85.06546	56.8
86.00648	6.1
86.99042	10.3
87.02694	6.6
91.05471	6.0
93.07054	9.4
95.04961	2.9
95.08602	3.7
97.02892	5.5
97.06524	4.6
97.82938	2.8
98.09691	8.4
98.97598	4.4
99.08086	7.3
100.76164	2.4
102.05536	5.0
105.07029	5.9
107.04949	4.1
107.08633	10.3
109.02918	2.3
109.06523	5.6
111.04436	8.6
112.03989	4.4
113.04218	5.0
116.01680	18.3
117.06973	3.3
119.08582	6.9
121.06528	6.3
121.10152	9.8
123.08025	2.3
125.05987	3.8
130.05008	7.1
130.06883	5.6
131.07611	2.6
131.08578	38.0
135.11702	3.1
137.09645	3.4
139.05772	2.4
139.07581	2.7
139.39290	2.2
142.04993	2.7
144.01132	9.3
145.10104	15.7
149.09637	34.7
156.08441	18.9
156.10204	12.1
157.06854	8.6
162.02202	23.1
163.11215	12.5
165.09103	6.0
167.10654	16.5
173.09491	2.5
174.09479	13.8
179.04942	10.7
179.10684	2.9
191.10672	37.3
209.11752	59.3
210.11328	3.5
211.03046	2.2
213.07758	4.0
216.06920	6.4
227.12796	95.2
228.73274	2.4
259.11139	100.0
313.12094	4.7
331.13452	5.8
406.06232	3.7
406.16309	5.5
425.14771	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	406.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34910	1.0
54.71905	0.8
55.01872	2.8
55.05509	2.3
56.05038	6.0
57.03447	5.3
58.99589	11.3
68.05045	1.0
69.07077	2.1
71.04984	0.9
71.47899	1.5
73.01134	1.4
74.00668	1.9
74.02465	1.1
76.02235	21.2
76.03994	1.9
79.05505	3.7
81.07066	18.3
83.06091	1.4
84.04511	23.4
85.01133	2.9
85.02876	1.0
86.00659	3.8
86.99063	6.4
87.02698	5.5
88.02225	1.8
93.07068	0.9
94.06636	0.9
95.08621	2.6
95.47716	0.8
97.01148	1.1
97.06534	2.1
98.09701	11.0
98.20817	1.0
99.08090	2.6
102.05548	4.8
105.07007	1.7
110.09666	1.4
112.03974	3.4
113.04231	6.1
113.75852	0.8
115.05794	1.6
116.01688	20.7
122.09686	1.7
127.05779	1.0
127.67439	0.9
129.06627	2.6
130.05009	7.5
130.06862	4.6
130.08646	1.2
131.08598	1.5
139.05791	1.2
142.03264	2.0
143.02777	1.1
144.01164	8.8
156.08449	18.1
156.10234	9.2
157.06870	7.8
162.02214	19.1
174.09511	12.4
179.04883	8.7
184.07944	1.3
189.03363	1.5
209.11754	1.2
210.11328	2.9
216.06921	6.0
227.12694	0.8
233.05907	1.3
242.08548	1.7
245.06157	1.0
259.11139	100.0
260.09348	1.3
277.12299	1.4
285.12833	1.7
313.12088	3.5
331.13248	6.2
372.88068	0.8
388.15286	1.3
406.16269	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13511	1.0
55.65815	1.1
56.96562	11.9
65.03986	0.9
69.03422	2.8
69.72022	5.9
81.03418	1.4
82.37852	1.1
85.02905	4.2
87.62964	1.1
89.03889	1.2
91.05460	2.5
95.06524	1.0
97.02879	2.1
98.06018	2.5
98.21467	2.3
98.97594	2.9
107.04958	1.4
112.07608	8.1
116.98623	1.8
119.01901	2.3
119.04949	4.5
123.04449	6.7
135.04445	2.1
136.40503	1.0
138.02304	1.4
143.01993	1.3
147.04408	11.2
156.03334	56.6
158.99623	1.3
161.06134	1.2
163.03937	7.1
168.03305	15.2
174.04405	80.9
186.04396	100.0
188.07721	1.6
192.05467	14.5
197.05853	1.2
202.01802	1.3
202.03845	1.1
203.03915	1.3
204.05458	86.2
205.05841	1.2
209.06032	4.9
212.07674	3.6
218.06978	1.6
218.99698	2.6
221.03075	2.3
222.06514	3.6
227.07130	1.5
228.05457	3.8
230.08748	2.5
237.00740	15.8
239.02184	1.3
244.06577	1.6
246.06482	3.3
255.01750	7.9
257.04861	1.4
273.02921	3.6
281.39594	1.2
330.06497	13.4
348.07620	67.0
349.07809	2.6
366.08633	92.0
367.09033	4.2
380.09964	2.4
384.09653	2.6
389.10214	6.5
406.07950	5.2
424.09180	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.5
55.01860	3.6
55.06099	1.0
56.96558	2.2
57.03456	1.3
61.02921	2.3
69.03444	6.8
71.04967	1.0
71.19573	1.6
73.02915	3.8
79.05517	1.2
81.03435	9.4
85.02424	1.7
85.02913	23.2
87.00837	8.8
91.03931	1.2
95.04964	1.1
96.84356	1.0
97.02895	15.2
99.04482	5.0
105.01884	9.8
105.07025	2.0
109.02902	10.5
119.04963	1.7
121.10143	3.4
123.04442	100.0
124.04776	1.2
126.05473	1.1
127.03930	22.7
133.06496	3.3
141.05421	1.1
145.04967	11.1
147.02960	1.5
147.04405	3.8
158.08119	2.0
159.02925	5.3
165.05553	2.4
173.13208	1.1
175.82829	1.0
177.05566	1.0
182.08237	1.2
203.07085	1.4
208.90524	1.1
209.15343	1.3
213.04115	1.8
231.04912	2.6
239.02278	2.7
244.06096	1.3
249.07657	1.8
345.09000	1.2
367.04868	2.2
383.09842	2.4
393.57867	1.0
407.09491	3.1
416.15631	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.6
55.01876	18.6
55.05519	36.1
57.03433	9.7
57.07078	3.8
65.03945	5.0
67.05508	72.2
69.03436	27.5
69.07066	26.3
71.01355	5.6
71.01775	5.4
71.04981	7.9
73.02904	5.3
77.03894	2.1
79.05056	4.3
79.05495	65.7
81.03428	27.5
81.07062	78.9
82.02573	2.4
83.04984	14.7
83.08617	16.1
85.02894	9.6
85.06535	3.6
91.05482	74.3
91.91564	2.3
93.07052	75.9
95.04993	16.0
95.08616	56.3
97.02874	12.4
97.06522	10.6
97.10171	6.8
99.04453	9.5
103.05461	2.6
105.04498	2.9
105.07036	71.5
107.04951	9.2
107.08600	44.2
109.02860	5.6
109.06509	14.6
109.10162	23.1
111.04455	9.3
111.08099	2.8
115.05476	6.4
117.07036	41.4
119.08585	61.2
121.06527	10.6
121.10150	33.6
123.04456	4.3
123.08070	9.5
123.11704	8.7
125.09615	4.8
127.03915	4.2
128.06216	9.5
129.05486	4.9
129.07007	26.2
130.07834	4.6
131.04947	2.7
131.08571	60.2
131.09514	4.1
133.06468	12.1
133.10132	48.0
135.08038	9.2
135.11723	22.2
137.05963	5.1
137.09604	5.3
141.07010	9.4
142.07808	4.8
143.08595	25.6
145.06496	10.8
145.10112	41.0
147.08061	11.4
147.11696	26.8
149.05978	2.7
149.09595	11.2
149.13239	13.4
151.11238	4.5
153.07069	3.6
153.09106	2.7
154.07684	2.4
155.08562	9.8
157.06517	3.3
157.10146	22.5
158.19843	2.2
159.08080	7.1
159.11702	38.7
161.09663	7.9
161.13297	15.3
163.07588	3.3
163.11238	4.4
163.14815	3.4
165.07088	2.7
167.08604	5.7
169.10146	10.9
171.08070	3.9
171.11681	24.2
173.09679	8.6
173.13255	24.1
175.07503	2.9
175.11212	7.4
175.14861	3.2
177.12868	3.6
179.08838	2.8
181.10150	7.8
183.08148	4.1
183.11755	11.7
185.09647	5.8
185.13263	14.3
187.11192	5.0
187.14864	10.7
189.12781	4.4
191.10648	3.8
191.30431	2.6
195.11719	6.4
197.09665	5.3
197.13322	6.6
199.14854	8.8
201.09212	2.8
201.12711	4.4
201.16508	3.4
203.10646	3.6
203.14388	3.8
209.13326	5.1
209.15367	2.2
211.11261	2.8
211.14801	4.7
211.69551	2.5
213.12680	5.6
213.16479	4.0
215.14371	4.6
217.15842	2.4
225.12798	4.8
225.16388	3.4
229.15991	2.5
237.16284	3.2
259.20596	6.7
261.22238	4.3
271.20544	2.8
273.18753	3.1
273.22144	8.7
275.20123	5.3
277.21646	9.2
280.57471	2.6
283.20532	2.9
285.22202	6.8
287.20242	2.9
287.23517	3.0
289.21579	11.0
291.23254	8.2
297.22275	2.7
301.21671	10.9
303.23248	7.1
313.21506	4.1
315.23312	16.4
319.22681	9.5
323.23706	3.6
327.23209	8.8
331.22653	8.2
340.96677	2.4
341.24716	17.3
345.24332	9.1
351.23169	17.8
359.25836	5.9
369.24216	61.3
370.24429	2.6
387.25302	43.3
405.26407	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2638
Annotation	7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate
Peak:m/z	Relative Intensity
53.03940	6.6
55.01876	18.6
55.05519	36.1
57.03433	9.7
57.07078	3.8
65.03945	5.0
67.05508	72.2
69.03436	27.5
69.07066	26.3
71.01355	5.6
71.01775	5.4
71.04981	7.9
73.02904	5.3
77.03894	2.1
79.05056	4.3
79.05495	65.7
81.03428	27.5
81.07062	78.9
82.02573	2.4
83.04984	14.7
83.08617	16.1
85.02894	9.6
85.06535	3.6
91.05482	74.3
91.91564	2.3
93.07052	75.9
95.04993	16.0
95.08616	56.3
97.02874	12.4
97.06522	10.6
97.10171	6.8
99.04453	9.5
103.05461	2.6
105.04498	2.9
105.07036	71.5
107.04951	9.2
107.08600	44.2
109.02860	5.6
109.06509	14.6
109.10162	23.1
111.04455	9.3
111.08099	2.8
115.05476	6.4
117.07036	41.4
119.08585	61.2
121.06527	10.6
121.10150	33.6
123.04456	4.3
123.08070	9.5
123.11704	8.7
125.09615	4.8
127.03915	4.2
128.06216	9.5
129.05486	4.9
129.07007	26.2
130.07834	4.6
131.04947	2.7
131.08571	60.2
131.09514	4.1
133.06468	12.1
133.10132	48.0
135.08038	9.2
135.11723	22.2
137.05963	5.1
137.09604	5.3
141.07010	9.4
142.07808	4.8
143.08595	25.6
145.06496	10.8
145.10112	41.0
147.08061	11.4
147.11696	26.8
149.05978	2.7
149.09595	11.2
149.13239	13.4
151.11238	4.5
153.07069	3.6
153.09106	2.7
154.07684	2.4
155.08562	9.8
157.06517	3.3
157.10146	22.5
158.19843	2.2
159.08080	7.1
159.11702	38.7
161.09663	7.9
161.13297	15.3
163.07588	3.3
163.11238	4.4
163.14815	3.4
165.07088	2.7
167.08604	5.7
169.10146	10.9
171.08070	3.9
171.11681	24.2
173.09679	8.6
173.13255	24.1
175.07503	2.9
175.11212	7.4
175.14861	3.2
177.12868	3.6
179.08838	2.8
181.10150	7.8
183.08148	4.1
183.11755	11.7
185.09647	5.8
185.13263	14.3
187.11192	5.0
187.14864	10.7
189.12781	4.4
191.10648	3.8
191.30431	2.6
195.11719	6.4
197.09665	5.3
197.13322	6.6
199.14854	8.8
201.09212	2.8
201.12711	4.4
201.16508	3.4
203.10646	3.6
203.14388	3.8
209.13326	5.1
209.15367	2.2
211.11261	2.8
211.14801	4.7
211.69551	2.5
213.12680	5.6
213.16479	4.0
215.14371	4.6
217.15842	2.4
225.12798	4.8
225.16388	3.4
229.15991	2.5
237.16284	3.2
259.20596	6.7
261.22238	4.3
271.20544	2.8
273.18753	3.1
273.22144	8.7
275.20123	5.3
277.21646	9.2
280.57471	2.6
283.20532	2.9
285.22202	6.8
287.20242	2.9
287.23517	3.0
289.21579	11.0
291.23254	8.2
297.22275	2.7
301.21671	10.9
303.23248	7.1
313.21506	4.1
315.23312	16.4
319.22681	9.5
323.23706	3.6
327.23209	8.8
331.22653	8.2
340.96677	2.4
341.24716	17.3
345.24332	9.1
351.23169	17.8
359.25836	5.9
369.24216	61.3
370.24429	2.6
387.25302	43.3
405.26407	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2638
Annotation	7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate
Peak:m/z	Relative Intensity
50.39479	1.3
53.03949	6.8
55.01870	12.8
55.05259	2.1
55.05516	32.7
57.03444	10.5
57.07063	4.3
61.02897	1.4
65.03932	4.6
67.05510	72.5
69.03438	28.1
69.07073	24.2
69.34050	5.1
69.34486	6.6
71.01366	3.1
71.04999	8.3
73.02911	3.6
77.03904	2.2
79.05498	64.3
81.03425	27.0
81.07064	75.9
83.04990	17.6
83.08633	14.3
85.02905	9.7
85.06541	3.9
87.04473	2.0
91.05486	73.6
93.07051	74.2
95.01308	1.9
95.04974	17.0
95.08614	56.4
97.02897	11.9
97.06531	10.5
97.10178	7.7
99.04458	8.0
99.08124	2.4
103.03947	1.9
103.05470	2.9
105.07040	73.0
107.04964	11.2
107.08601	43.2
107.58755	1.2
109.02882	5.9
109.06529	12.0
109.10168	22.8
111.04450	15.6
111.08059	4.9
113.06017	2.2
115.03932	2.0
115.05476	5.5
116.06210	2.9
117.07022	42.5
119.08592	55.9
121.06519	10.6
121.10158	29.6
123.04469	3.0
123.08110	7.3
123.08832	1.2
123.11692	6.1
125.02343	1.6
125.06017	1.5
125.09628	4.0
127.03906	5.1
128.06242	9.4
129.05463	4.0
129.07019	25.1
130.07797	2.9
131.04936	2.6
131.08577	52.4
132.61894	1.2
133.06516	10.1
133.10143	40.9
135.08064	8.9
135.11694	18.0
137.05952	2.1
137.09636	5.1
137.13271	2.1
139.03938	1.5
141.07004	7.7
141.43333	1.2
142.07788	6.4
143.08588	23.2
144.09331	2.8
145.06468	8.6
145.10141	43.7
147.08041	10.2
147.11702	26.3
149.05956	2.0
149.09613	8.5
149.13275	12.4
151.07561	2.8
151.11200	3.1
153.07013	2.8
153.09082	1.5
154.07840	1.3
155.08560	13.3
157.06499	3.3
157.10152	22.8
159.08087	7.3
159.11699	41.8
161.09641	8.7
161.13269	15.7
163.11182	5.3
163.14851	3.9
165.09143	2.7
167.08545	5.2
169.06493	1.7
169.10155	11.5
170.07150	1.8
171.08096	5.8
171.11678	17.0
173.09628	6.5
173.13283	25.4
175.07481	1.6
175.11252	9.2
175.14757	6.8
177.09126	1.5
177.12762	4.3
179.08601	2.0
180.09305	1.9
181.10149	3.8
182.10919	1.7
183.08099	2.8
183.11705	10.9
185.09663	5.4
185.13268	13.7
187.07578	1.7
187.11209	5.7
187.14847	11.1
189.09114	2.0
189.12747	5.2
189.16374	2.1
193.10193	2.3
195.11723	4.9
197.09630	1.8
197.13229	8.0
199.11162	4.9
199.14790	8.9
201.12726	4.6
201.16414	2.0
203.10803	1.8
203.14331	5.1
205.12280	2.4
207.13754	1.8
209.13277	4.8
211.11200	2.8
211.14815	4.1
213.12822	5.3
213.16418	4.2
215.10625	1.5
215.14375	1.8
217.12331	1.6
217.15936	1.9
219.13705	2.0
219.17612	1.4
221.13388	2.5
223.14980	2.7
225.12769	3.8
225.16489	3.7
227.14366	3.1
227.17847	2.3
239.14320	2.7
241.15897	2.0
241.19537	3.9
243.13715	2.0
243.21338	1.6
253.19493	2.5
255.21077	2.9
257.19000	1.8
259.17053	2.0
259.20584	7.5
261.22134	2.9
267.21045	1.8
271.20581	7.6
273.22128	8.2
275.16653	1.9
275.20197	3.2
275.23648	1.8
277.21707	6.0
283.20712	2.8
285.18994	1.5
285.22003	6.7
287.19928	2.7
289.21686	9.9
291.23221	4.6
297.22186	2.8
299.20081	1.9
299.23660	1.7
301.21628	10.7
303.23111	8.7
309.21918	1.5
313.21686	6.9
315.23267	15.2
319.22638	10.2
323.23645	3.7
325.21530	2.4
326.89182	1.4
327.23209	9.9
329.24832	1.6
331.22690	5.9
333.22006	2.6
341.24823	12.1
343.22772	2.0
345.24268	10.1
351.23239	14.5
357.24246	3.6
359.25906	3.3
369.24289	53.2
370.24594	1.8
387.25327	47.9
405.26376	100.0
406.26852	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	405.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03202	6.1
52.26742	8.1
52.42517	6.7
53.03964	10.0
53.84258	6.5
55.01864	13.8
55.05510	44.0
57.03436	10.8
57.07075	18.0
65.66211	5.9
67.05502	19.7
68.99802	9.1
69.03430	73.2
69.07070	39.6
70.74537	7.9
70.74869	14.0
71.05024	6.6
71.08634	47.6
79.05490	14.7
81.03432	31.5
81.07049	38.7
83.04977	44.6
83.08630	55.9
85.02914	32.0
87.00844	15.2
88.20097	7.3
91.05492	17.6
93.07052	23.7
95.04970	23.7
95.08607	19.9
96.69636	6.1
97.02889	21.0
97.10164	21.7
99.04447	17.8
99.08121	34.9
105.07040	34.1
107.04952	26.2
107.08620	15.7
109.02911	13.6
109.06537	8.2
109.10162	13.6
111.04469	51.3
119.08574	16.2
123.11681	6.7
127.03915	25.0
129.05492	18.4
131.05048	10.6
131.08614	9.6
133.06525	10.2
133.10138	11.6
135.11653	10.0
137.02382	6.2
137.05977	28.4
145.10123	16.7
147.04459	11.4
147.06506	13.0
147.11739	9.6
153.01898	43.2
155.06979	7.2
157.15872	19.7
161.13203	9.1
171.11566	7.3
185.13287	8.2
223.07393	7.8
231.04971	24.3
233.06679	8.8
241.07016	8.5
242.17670	7.0
245.13695	6.8
255.10107	7.9
259.08148	22.4
301.18085	9.8
311.05667	10.8
405.05109	7.8
405.09808	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2274
Annotation	CHEBI:67678
Peak:m/z	Relative Intensity
55.01866	1.3
55.05512	7.2
57.03437	0.6
57.07085	3.5
59.01292	0.4
66.02641	0.4
67.01884	1.2
67.05180	0.6
67.05510	6.6
68.99797	4.8
69.03429	0.7
69.07072	12.4
71.04977	1.2
71.08617	1.6
73.02966	0.4
79.05499	4.0
81.03400	1.1
81.07063	7.9
83.04987	2.6
83.08621	7.0
85.02914	1.4
85.10191	0.9
87.00858	0.6
91.05479	1.8
93.07044	6.1
95.04977	1.3
95.08614	9.1
97.02901	1.2
97.06541	5.5
97.10181	4.6
99.08106	0.5
105.07045	1.6
107.04913	0.5
107.08601	5.5
108.91862	0.4
109.06503	1.0
109.10177	4.2
111.00819	13.0
111.04446	3.5
111.08097	1.6
111.11734	0.9
115.03962	0.5
117.07047	0.7
119.08586	1.4
121.06505	1.0
121.10148	4.8
123.04434	1.3
123.08083	1.2
123.11721	2.4
125.06006	1.7
125.09612	1.6
126.03201	0.7
127.03923	10.0
131.08569	1.1
133.10126	1.1
135.08051	1.6
135.11703	4.3
137.09581	0.8
139.03909	31.5
139.07565	2.1
139.11197	1.3
145.10124	1.3
147.11697	0.9
149.06000	0.6
149.09628	1.3
149.13312	2.4
153.05464	1.4
153.09093	1.3
153.12764	0.8
157.08575	0.6
159.11693	1.4
161.13251	0.7
163.11224	1.2
167.07065	1.0
167.10721	1.4
167.14313	0.8
173.13333	0.7
177.12755	1.0
181.08635	3.0
181.12241	1.0
185.11710	1.1
191.17989	1.1
195.10144	3.6
195.13889	1.6
199.13387	1.1
201.16428	0.6
205.19695	0.5
209.11743	5.6
209.15439	0.6
213.14851	0.5
215.17912	1.0
215.59273	0.5
223.13304	6.4
233.19061	1.3
237.14862	5.4
237.18538	0.8
251.16301	2.6
251.20132	5.1
264.42477	0.5
269.21204	0.6
279.19659	3.4
293.21118	15.8
293.24240	1.0
303.19635	0.9
321.20615	41.4
322.20844	1.1
337.23718	4.8
363.21628	9.0
387.21451	1.5
405.22736	100.0
406.23056	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	405.1909
Annotation	Caesalpinin O
Peak:m/z	Relative Intensity
55.01874	2.6
55.05515	9.4
57.03428	0.6
57.07062	2.2
65.03939	0.6
66.43857	0.5
67.01840	1.9
67.05511	5.2
68.99796	9.5
69.03435	1.0
69.07072	13.5
69.74680	2.4
71.04985	1.1
71.08611	0.9
73.50462	0.5
79.05500	5.2
81.03407	1.3
81.07063	9.5
82.86552	0.4
83.04986	2.4
83.08627	8.5
85.06516	1.0
87.00832	0.8
91.05457	1.8
93.07053	8.1
94.07346	0.5
95.04963	1.0
95.08060	0.4
95.08611	5.8
97.02875	1.1
97.05994	0.5
97.06544	5.2
97.10184	4.1
105.07005	1.3
107.04983	0.9
107.08604	7.1
109.02858	0.9
109.06519	1.2
109.10172	2.1
111.00809	23.3
111.04446	5.1
111.08086	3.0
111.11693	0.4
112.01160	0.4
113.02332	0.7
117.07043	0.6
119.08578	1.6
121.06500	1.5
121.09319	0.6
121.10155	6.7
123.04454	0.7
123.08054	1.8
123.11716	1.1
125.06000	2.9
125.09626	3.1
126.03117	0.8
127.03927	36.2
131.08589	2.1
133.10106	1.1
135.08064	3.1
135.11679	2.0
136.02609	0.5
137.09602	1.1
139.03909	23.2
139.07532	1.6
145.10092	1.2
147.11681	1.9
149.05988	1.1
149.09700	0.9
149.13281	5.8
151.11124	0.5
153.05492	1.1
153.09088	1.3
157.08571	0.6
159.11687	0.8
163.07504	0.5
163.11177	0.4
163.14832	4.2
165.12723	0.5
167.07027	1.9
167.10632	1.2
167.14363	0.9
171.10179	0.6
173.13245	1.7
175.14786	0.4
177.09108	0.4
177.12787	0.7
181.08594	3.4
181.15924	1.1
185.11726	0.6
191.14314	3.2
195.10156	2.4
195.13885	0.8
205.15910	1.2
209.11894	2.1
209.15385	8.7
215.14272	0.5
227.16472	2.7
233.15343	0.7
237.14851	1.3
239.24535	0.5
240.93454	0.4
251.16446	43.6
252.16733	1.5
261.14795	0.9
279.15927	100.0
280.16342	2.7
282.52866	0.4
295.19000	0.9
321.16977	2.6
363.18121	3.7
405.19089	24.8
406.19455	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03202	6.1
52.26742	8.1
52.42517	6.7
53.03964	10.0
53.84258	6.5
55.01864	13.8
55.05510	44.0
57.03436	10.8
57.07075	18.0
65.66211	5.9
67.05502	19.7
68.99802	9.1
69.03430	73.2
69.07070	39.6
70.74537	7.9
70.74869	14.0
71.05024	6.6
71.08634	47.6
79.05490	14.7
81.03432	31.5
81.07049	38.7
83.04977	44.6
83.08630	55.9
85.02914	32.0
87.00844	15.2
88.20097	7.3
91.05492	17.6
93.07052	23.7
95.04970	23.7
95.08607	19.9
96.69636	6.1
97.02889	21.0
97.10164	21.7
99.04447	17.8
99.08121	34.9
105.07040	34.1
107.04952	26.2
107.08620	15.7
109.02911	13.6
109.06537	8.2
109.10162	13.6
111.04469	51.3
119.08574	16.2
123.11681	6.7
127.03915	25.0
129.05492	18.4
131.05048	10.6
131.08614	9.6
133.06525	10.2
133.10138	11.6
135.11653	10.0
137.02382	6.2
137.05977	28.4
145.10123	16.7
147.04459	11.4
147.06506	13.0
147.11739	9.6
153.01898	43.2
155.06979	7.2
157.15872	19.7
161.13203	9.1
171.11566	7.3
185.13287	8.2
223.07393	7.8
231.04971	24.3
233.06679	8.8
241.07016	8.5
242.17670	7.0
245.13695	6.8
255.10107	7.9
259.08148	22.4
301.18085	9.8
311.05667	10.8
405.05109	7.8
405.09808	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57246	2.6
53.03933	9.9
57.03419	6.1
65.03920	4.9
67.05486	9.3
68.99775	5.8
69.03438	23.5
69.25603	28.3
74.47050	2.8
75.04460	2.8
79.05494	3.7
81.03423	20.2
85.02902	53.6
87.00837	19.5
89.03918	8.9
95.04958	20.8
97.02874	11.7
99.04478	3.8
103.03928	4.6
105.01865	20.9
108.08110	13.0
109.02888	13.6
117.03392	13.5
121.02838	11.7
125.06044	6.1
126.05500	9.1
126.09148	6.1
127.03931	29.7
135.04443	22.2
136.07556	19.5
139.03874	8.3
140.07040	11.9
145.02831	12.8
145.04961	6.5
145.43379	2.5
147.02911	3.0
147.04330	4.0
150.09157	3.6
152.07080	65.4
154.08545	4.8
161.18719	2.8
163.03911	100.0
164.04268	3.0
164.07077	23.0
171.02766	2.7
178.08614	9.9
178.67807	3.2
181.04944	4.3
182.08122	85.3
189.03935	14.3
192.10196	7.6
192.77254	2.7
202.08525	3.5
206.08118	12.8
213.13200	2.7
220.09724	12.0
231.04897	7.4
245.22073	2.7
248.09180	94.4
266.10263	3.8
308.11136	8.6
325.49384	2.9
334.09079	15.3
352.10416	4.6
405.08167	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	404.228
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03427	3.8
70.19655	2.2
70.40584	8.7
74.72393	2.4
81.03413	3.4
85.02902	6.7
91.05477	3.2
93.07047	9.3
95.08653	2.8
99.04472	2.7
105.07029	10.3
107.08589	17.1
109.10125	3.8
119.08587	9.5
121.06493	8.0
121.10164	35.2
131.08533	5.6
137.09599	9.7
147.11697	19.8
149.09630	100.0
155.28928	2.9
156.62930	2.4
165.12779	15.4
168.52306	2.6
171.11661	4.3
189.12714	15.5
207.13820	81.5
225.14876	46.7
276.99585	2.9
303.04889	3.4
381.66608	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	405.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63822	3.0
53.03949	4.8
55.01859	3.2
55.24354	3.0
57.03436	9.7
65.03976	3.1
66.56658	3.6
67.05511	10.0
68.99796	5.6
69.03429	20.3
69.07081	3.4
70.06580	5.4
71.05005	4.3
71.56269	5.6
79.05503	7.3
81.03418	32.5
81.07058	9.1
85.02909	77.5
87.00832	14.0
89.03915	7.7
93.07050	3.9
95.04959	29.1
97.02901	83.0
99.04461	9.4
105.01887	5.3
107.04957	8.4
108.08125	6.1
109.02875	27.1
117.03409	10.5
119.08601	3.2
121.02882	9.0
121.10107	4.3
122.06047	7.9
123.04435	4.5
124.07609	3.5
125.06023	8.5
126.05521	9.7
127.03927	29.3
135.04408	22.8
136.07573	13.6
137.02428	4.1
139.03900	6.1
139.11205	7.2
140.07059	26.4
145.02861	14.5
145.04982	13.9
151.11261	3.7
152.07079	43.8
154.08598	6.0
157.04976	10.2
157.08665	7.1
157.12242	4.2
163.03923	100.0
164.07104	15.8
171.02919	9.5
178.08669	9.0
181.05046	4.9
182.08144	69.1
189.03976	46.3
202.08611	4.5
206.08040	6.4
207.13922	5.3
218.08148	14.4
220.09756	4.9
226.42471	3.2
231.05026	9.5
236.09190	23.2
243.17996	3.7
248.09198	62.8
249.06038	4.7
266.10263	8.9
315.08612	4.1
352.10245	5.4
370.11227	7.8
405.05667	7.1
408.46188	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35545	6.8
54.48766	7.4
67.05494	7.7
69.03432	14.4
81.03400	8.7
81.07045	18.8
83.04967	7.1
85.02914	70.4
86.09660	7.3
87.00809	7.1
91.05490	11.6
93.07034	8.0
94.06532	6.1
95.04943	20.0
95.08578	10.6
98.80781	6.4
105.07072	17.0
105.24780	6.2
107.04931	8.0
107.08602	17.3
109.10186	8.8
119.08627	15.7
121.02806	8.0
121.10170	12.1
123.11700	65.2
127.03892	9.4
135.04442	18.3
145.02803	9.4
145.10138	24.7
147.08055	10.2
147.11703	28.7
149.05899	7.4
149.09621	27.9
151.20226	8.3
156.09325	13.3
161.13219	7.8
163.03923	79.2
168.06618	8.3
171.11671	12.1
189.12756	100.0
199.13304	9.4
207.13808	54.2
210.07729	9.0
224.16501	14.2
230.71042	6.5
242.17513	21.5
410.09021	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51272	4.5
55.05502	14.9
56.16424	5.2
62.04847	5.2
69.03453	5.8
69.59879	11.7
69.60291	22.7
75.23497	4.6
76.13953	5.5
78.13397	4.2
79.05483	6.6
79.39531	5.0
81.07047	8.4
84.04507	11.4
85.02911	25.1
91.05543	6.6
93.07038	10.8
95.04934	5.1
95.08607	13.6
96.04516	4.5
97.06478	6.2
99.04442	6.6
103.81552	4.7
105.07042	14.7
107.08570	11.0
108.36650	4.6
109.06510	14.9
119.08557	10.1
121.10147	13.2
123.11681	18.2
124.99438	4.6
133.10165	6.3
137.09598	25.8
147.11667	9.6
149.09604	11.1
161.09659	10.2
161.13278	9.4
165.12769	100.0
179.14293	12.2
189.12775	11.5
194.80466	5.1
207.13791	46.4
225.11247	8.0
282.38269	5.5
405.06079	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	404.228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	3.9
59.04985	3.5
67.05488	3.5
69.03410	4.9
69.09330	1.5
71.05008	2.7
71.55738	1.7
79.05499	2.8
81.03405	3.8
81.07054	5.2
83.04975	2.0
85.02913	19.7
85.06570	1.9
86.09719	3.3
87.00857	3.1
89.03893	1.8
91.05492	8.8
93.07053	3.9
95.04942	5.5
95.08646	3.8
97.02890	7.1
99.04487	3.1
105.01882	3.1
105.07034	15.8
107.04981	2.2
107.08610	9.7
108.08138	1.4
109.06534	3.5
117.03358	2.1
117.07018	1.8
119.08587	14.9
121.02866	1.9
121.10156	12.9
121.15880	1.4
123.08090	2.2
123.11722	7.0
125.09648	2.2
127.03934	5.7
129.07057	3.1
131.08582	11.7
133.10115	4.7
135.04414	2.6
135.08076	24.1
135.11687	5.0
137.09668	2.4
138.09088	2.7
143.08556	6.8
145.02840	1.7
145.10139	4.9
147.08034	12.6
147.11736	14.5
149.09625	10.9
156.09244	12.5
159.11690	1.8
161.09685	2.6
161.13272	6.5
163.03941	13.2
163.11111	2.1
165.09021	2.0
165.12755	3.2
171.11694	33.3
174.10460	2.2
182.08183	1.8
189.03949	3.0
189.12744	29.9
197.11847	2.2
207.13815	100.0
208.14224	1.7
224.16447	5.9
239.27597	1.6
242.08212	4.9
242.17471	10.1
248.09151	4.0
405.06818	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	404.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45757	1.3
53.03932	1.7
55.01877	2.9
55.05502	2.2
57.55449	1.4
59.04994	3.4
67.05502	2.0
69.03423	5.5
69.07044	2.2
70.67292	3.2
70.81528	1.5
71.20683	1.5
79.05485	5.5
81.03421	3.9
81.07053	4.8
83.04987	2.2
85.02918	22.1
85.06519	2.2
85.31165	1.5
86.09701	4.3
87.00815	4.7
87.02445	1.5
87.04498	2.1
89.03907	2.7
91.05491	8.3
93.07040	7.7
95.04959	5.7
95.08620	4.5
97.02896	12.3
97.06468	1.8
99.04449	2.0
103.05479	1.5
104.93070	1.5
105.01887	4.0
105.07037	14.1
107.04971	1.8
107.08605	15.1
109.02844	4.7
109.06535	4.3
110.06046	1.7
117.03309	1.8
119.08591	20.9
120.70853	1.4
121.02929	2.6
121.10154	9.6
123.08070	4.4
123.11714	8.3
125.09589	1.9
126.09195	1.8
127.03945	7.4
129.07042	3.3
130.07797	1.6
131.08574	11.8
133.10123	4.3
135.04427	3.3
135.08051	21.2
135.11665	5.3
137.09613	2.2
138.09161	4.9
139.11179	2.2
140.07146	1.9
141.07037	3.6
143.08563	10.4
145.02824	2.1
145.04982	3.7
145.10150	6.8
147.08076	11.1
147.11674	12.9
149.09648	11.6
152.07062	3.2
156.09323	13.8
156.10234	13.6
159.11758	2.8
161.13260	6.4
163.03947	15.1
165.09082	2.3
165.12773	3.5
171.11708	34.6
182.08347	1.6
188.02971	1.5
189.12753	25.5
197.11838	1.7
207.13820	100.0
208.14130	2.7
224.16505	2.3
242.08162	5.2
242.17543	6.9
248.09177	2.9
256.07294	1.7
405.05826	1.7
424.14050	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.5
57.03429	2.3
61.02917	2.8
67.05515	4.3
67.55004	2.1
69.03434	14.9
69.07064	3.0
71.05000	12.5
71.56424	2.7
75.00768	2.0
79.05502	10.8
81.03407	5.3
81.07070	31.0
84.04539	4.4
85.02905	19.0
85.06558	2.4
88.79008	2.4
91.05469	15.5
93.07056	28.8
95.04978	3.9
95.08614	7.8
97.02897	16.9
97.06486	2.9
99.04460	35.1
105.07040	46.9
107.04951	3.0
107.08600	17.2
109.02905	2.7
109.06496	5.4
111.08096	18.3
117.07020	2.7
119.08593	5.9
121.06519	7.2
123.08092	3.8
127.03891	2.9
131.08549	3.5
133.06459	5.8
133.10132	77.3
135.11659	2.5
137.05998	9.8
143.08569	10.1
145.04948	3.8
145.10120	4.4
145.61485	2.4
146.07269	5.5
146.99086	2.4
147.08028	4.0
151.07576	4.2
151.11195	4.7
161.09628	84.9
161.51010	2.3
163.11188	17.4
171.08133	2.6
179.10667	35.2
189.09125	35.3
207.10164	21.9
225.11227	100.0
226.11613	4.0
330.16565	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	403.2479
Annotation	Macrolactin K
Peak:m/z	Relative Intensity
53.03947	5.9
55.01881	13.5
55.05518	78.2
63.81297	5.6
67.05495	40.1
69.03426	12.8
69.07071	27.0
71.04993	7.6
71.56982	8.5
79.05503	59.4
81.07070	41.3
83.04971	10.4
83.08624	47.3
91.05477	28.3
93.07053	16.8
93.13542	5.8
95.08621	18.1
97.10174	70.0
102.51579	5.9
103.05489	14.2
105.07040	23.6
107.05009	5.5
107.08610	42.6
109.10156	11.3
115.05472	7.2
117.07027	37.3
119.08605	16.8
119.96648	6.5
121.10162	9.1
125.09637	71.3
129.01797	7.3
129.07013	26.7
131.04919	8.1
131.08595	22.9
133.06560	9.1
133.10161	11.7
143.08565	8.1
143.10733	6.7
145.06494	17.8
145.10130	17.8
147.08072	6.4
153.09155	7.0
155.08569	14.5
159.08200	8.4
169.10184	8.8
185.09686	5.8
185.13251	9.8
187.14861	16.2
189.11206	66.1
197.13345	27.2
199.58080	7.1
213.12811	6.6
215.14343	100.0
233.15446	9.4
241.12103	6.8
257.51379	5.8
259.13309	9.5
260.28549	7.0
339.23227	14.3
349.21573	24.5
367.18387	9.8
367.22672	74.0
380.36606	7.1
380.85773	6.5
385.23788	73.7
403.24738	76.2
403.28961	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	403.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	12.3
55.05507	11.8
57.03426	6.3
61.02917	4.6
67.05497	10.1
68.99782	3.0
69.03436	43.1
69.07057	5.9
71.04983	10.7
71.08641	42.5
71.56845	3.4
71.57238	3.1
79.05486	8.5
81.02979	4.5
81.03425	66.5
81.07076	13.4
82.65462	2.9
83.04972	4.1
83.08606	6.4
85.02911	34.9
87.00833	9.8
91.05479	7.7
93.07041	9.9
93.85698	3.1
95.04980	3.1
95.08617	17.4
97.02888	8.2
97.10175	5.7
99.04485	20.0
99.08104	60.2
105.01808	4.0
105.07026	8.0
107.08572	8.0
109.02889	44.4
109.10149	10.1
119.08579	6.3
121.10142	7.6
126.37415	3.0
127.03938	100.0
129.01859	6.7
133.06509	3.6
133.10103	6.6
135.24214	2.5
137.09593	3.3
145.10135	4.2
147.11626	4.3
155.14272	5.3
159.69690	3.1
161.13203	3.5
163.07536	4.3
165.09167	4.4
173.15388	8.5
185.13263	2.9
187.06055	4.5
213.03934	9.8
231.04990	6.0
280.65060	2.9
394.69040	2.6
403.13922	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	403.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	6.3
58.25323	2.6
58.81857	2.4
58.99868	7.7
61.02904	3.2
67.05489	5.1
69.03429	3.6
70.91417	6.9
70.99874	2.7
75.76894	2.8
77.00914	16.2
82.99859	4.7
85.02895	11.4
89.00892	3.4
89.03938	6.6
91.02433	3.3
91.05432	3.8
95.04967	9.6
97.02882	6.4
98.97572	3.5
101.00247	4.1
101.00878	35.7
103.02430	7.4
105.00352	2.6
109.02854	2.8
113.00893	4.2
113.02370	2.6
115.02447	23.5
117.03341	5.4
119.01929	100.0
119.02785	5.1
119.04956	6.7
121.01650	5.2
121.02839	4.0
122.40837	2.9
125.04458	2.9
126.89902	2.7
126.98790	7.3
127.02380	4.5
129.03992	5.2
131.01907	15.9
133.03468	23.2
135.04372	7.4
137.02965	11.6
141.04024	4.9
143.01891	11.6
143.05566	18.0
144.99838	28.1
145.03529	23.1
145.05000	3.1
147.01384	8.0
147.04239	15.6
149.02963	10.8
151.02502	2.4
153.04077	5.4
155.01894	9.5
155.05560	3.1
157.03484	10.5
157.07172	3.1
158.03648	2.5
159.01402	5.1
159.05042	12.8
161.02986	14.0
161.06577	26.1
163.00903	4.3
163.03882	33.8
164.04199	3.1
167.01936	3.3
167.05544	8.6
168.99789	7.4
169.03464	10.8
171.01439	25.3
171.05031	37.7
172.99332	18.9
173.02945	13.9
173.06624	10.3
175.00887	6.8
175.02777	2.9
175.04504	4.7
175.08240	3.0
177.02466	10.1
177.06097	8.7
179.01884	4.6
183.04999	5.2
185.03065	12.7
185.06595	57.3
187.01025	17.2
187.02676	6.3
187.04411	13.9
189.02499	25.0
189.04198	4.4
189.06090	23.1
190.95306	2.9
191.00348	12.8
191.07654	2.9
195.01443	3.4
195.04990	9.1
196.99315	6.0
197.02985	37.5
197.06534	4.7
199.00969	12.2
199.02591	2.8
199.04591	4.1
200.98834	8.7
201.06081	8.0
203.04024	8.0
203.07642	8.1
205.01953	8.7
205.05603	3.4
206.00603	2.6
207.07236	3.3
211.04507	11.9
213.02560	5.1
213.06064	15.4
215.00409	21.3
215.04042	24.0
215.07579	9.8
217.01903	13.7
218.99886	4.9
219.03670	3.0
221.03026	9.9
227.04202	5.8
228.98534	3.5
229.01958	8.6
229.05670	8.1
231.03452	7.4
231.07166	7.9
233.01492	24.4
233.05051	14.2
239.03998	39.0
241.01379	4.0
241.05627	5.5
243.07184	11.7
245.05057	32.6
246.50732	2.8
247.02980	12.0
247.04880	5.7
251.02422	38.9
253.05865	2.7
257.01413	10.2
257.05087	45.5
265.01868	4.9
266.99808	5.7
267.03433	8.9
269.05188	3.6
271.06531	12.5
275.02527	27.8
275.06097	50.0
281.01566	3.3
283.03015	42.0
285.04630	13.7
286.98831	3.1
287.06229	9.8
289.07645	5.6
293.01602	4.2
293.07321	3.5
297.04584	5.9
298.07660	5.0
299.05981	5.3
301.00455	11.1
301.03986	18.0
305.03625	5.7
305.07196	6.6
311.02551	11.7
315.05444	17.3
317.07138	6.6
319.01569	4.6
329.03244	8.8
333.02847	8.8
333.06766	12.2
343.05154	19.6
345.06815	4.6
359.08163	3.6
361.02335	18.8
361.06412	18.2
373.06427	5.0
389.05869	4.6
403.07199	4.6
421.04709	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	403.057
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	18.3
59.90549	2.1
62.11425	2.0
62.54404	1.9
64.40992	2.2
65.03955	3.7
67.34091	2.1
69.03413	2.6
71.55567	2.9
79.05484	3.8
85.02907	6.5
89.03921	23.4
91.05488	15.6
91.46109	2.3
95.04986	3.2
97.02884	7.6
98.97599	29.8
101.00891	4.4
102.96873	5.1
107.04961	7.0
110.97556	4.3
116.98617	20.7
117.03385	15.8
119.01914	15.6
119.04943	19.8
121.01682	2.3
127.03873	2.3
128.98572	5.0
130.93315	15.7
131.01904	4.0
133.03470	4.7
134.99673	13.1
135.04414	25.7
136.04767	3.8
138.98897	2.9
143.01929	5.1
145.02795	14.8
147.04416	54.8
148.04808	3.4
148.94330	4.0
149.01251	2.4
153.00951	2.7
154.93198	3.5
155.02031	2.3
158.99681	4.5
161.02950	6.3
162.99388	2.4
163.03918	100.0
164.04247	12.9
164.98665	3.0
171.05078	2.9
172.94397	12.9
173.03006	4.7
174.97661	2.6
177.00964	27.6
178.00992	3.0
179.00441	2.6
182.99753	9.3
185.02882	4.0
186.99234	4.3
189.00932	6.1
190.95453	20.4
191.02509	34.6
192.02606	3.7
192.98616	5.4
198.99188	3.5
201.00903	26.7
201.02635	3.5
203.02409	14.8
203.04169	3.1
204.89870	3.0
204.97084	3.4
205.00423	3.5
207.05075	2.7
208.96542	11.6
210.99263	3.6
213.00856	3.3
214.95432	9.9
215.02515	6.2
216.98587	5.3
217.00430	3.3
219.02000	87.0
219.15015	2.6
220.02190	4.4
221.01756	5.4
221.05162	2.5
222.97887	2.8
223.04645	3.0
228.98280	4.2
229.00441	62.1
230.00478	3.5
232.96477	30.0
233.01453	3.8
233.03569	32.0
235.03404	4.4
237.02840	9.3
241.03769	2.9
243.01982	4.0
245.05217	3.8
246.97775	2.6
246.98985	2.8
247.01524	44.7
247.04190	3.5
247.05048	3.1
250.97511	7.1
251.02531	4.3
255.01979	3.2
259.01492	10.4
260.95563	3.1
261.03125	6.0
262.97559	2.7
265.02576	5.0
268.99945	8.4
272.95975	3.8
273.02979	4.5
274.97568	4.5
275.02374	4.2
276.97900	3.9
277.02582	8.5
278.96893	13.1
287.01031	23.6
289.02658	3.7
290.96973	3.7
296.97919	6.8
299.00986	3.0
300.95273	5.4
301.00824	5.0
305.02017	15.4
311.01074	7.2
312.95581	3.9
313.02502	3.1
317.02066	4.3
318.96432	5.2
323.02792	5.0
325.02292	4.8
329.02045	58.6
330.02200	4.0
330.93201	3.0
330.96594	8.6
331.03522	22.9
336.97577	3.6
342.96439	6.3
343.03430	8.4
346.99252	2.1
347.03070	61.5
348.03226	5.2
349.04749	4.4
351.04041	2.2
352.03403	2.9
359.02893	8.6
360.97400	6.5
361.03281	9.1
364.96887	3.3
377.03433	2.5
379.06467	2.4
381.03674	5.0
389.04224	4.8
403.09451	3.2
421.10538	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	402.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.2
54.97094	0.2
57.03431	0.5
61.02923	0.7
65.03925	0.5
67.05502	0.3
67.54958	0.2
68.97457	0.2
69.03432	2.2
70.00744	0.5
70.01147	0.9
70.06588	0.5
71.04992	0.3
73.02919	0.3
74.76556	0.2
76.95718	0.3
81.03403	0.7
84.04513	0.5
85.02421	0.5
85.02908	6.6
86.09717	0.2
87.69643	0.2
91.03929	0.2
91.05486	4.9
93.07047	0.2
95.04965	1.3
97.02888	1.6
98.21351	0.4
99.04476	0.3
109.02866	0.5
109.10156	0.5
119.04952	15.4
120.05264	0.3
123.04462	0.5
127.02132	1.0
127.03937	1.5
127.99709	0.2
136.07582	0.4
140.03421	0.3
145.04976	1.9
147.04419	100.0
148.04735	1.2
154.04982	0.5
154.08670	0.6
164.07065	0.3
170.06310	0.4
180.08708	0.3
181.04977	0.4
191.74678	0.3
223.06082	0.9
224.09126	0.3
240.15994	0.4
273.09015	0.4
309.09460	0.4
309.68137	0.3
402.18729	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.5
69.03440	1.6
69.95744	5.6
78.77776	1.4
81.03406	4.1
85.02902	6.0
87.00814	3.3
95.04971	9.3
96.74596	1.5
98.20852	2.1
98.21467	2.7
98.24445	1.4
99.04460	13.8
103.03960	2.3
103.05450	1.6
105.07041	2.3
107.04953	8.6
119.04958	3.8
121.02888	4.4
121.06562	1.6
123.04433	100.0
124.83857	1.5
126.03728	2.2
128.06197	1.3
131.04932	4.8
133.06499	18.1
133.07445	2.1
145.06503	5.8
147.04411	24.2
147.08093	2.1
149.05986	8.1
151.03955	1.7
157.06479	11.5
159.02951	3.0
159.04424	4.0
161.05984	20.2
165.05478	65.2
169.05011	2.9
171.05736	1.4
171.08092	5.5
173.05995	5.6
175.07552	6.0
177.05450	8.1
181.06497	2.8
185.05971	10.2
191.07056	6.8
199.07535	9.0
203.07030	13.1
207.06509	2.4
211.46217	1.3
217.08516	1.9
221.08086	3.6
227.07050	14.1
245.08125	17.1
263.09125	12.9
281.10095	7.1
307.08237	2.5
331.08188	3.3
349.09183	13.0
350.83478	1.4
367.10251	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	402.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03203	1.7
55.01868	4.1
57.03448	3.5
61.02934	2.7
69.03456	2.0
69.93465	3.2
69.93868	8.6
77.93837	2.1
81.03426	2.7
85.02921	19.1
86.54536	2.0
87.00835	4.9
91.05471	6.1
94.51402	1.9
95.04974	12.5
97.02872	4.8
97.87457	2.0
98.20702	2.1
98.21272	5.9
99.04482	15.5
103.03910	2.8
105.07046	5.8
107.04967	16.9
119.04949	9.1
121.02876	6.9
121.06517	5.8
123.04439	100.0
131.04929	9.6
133.06497	30.8
135.04401	3.4
145.06488	11.7
147.04424	42.6
147.08090	6.8
149.05960	12.4
153.07051	2.3
154.08688	5.0
156.96570	2.4
157.06482	16.1
159.03027	2.1
159.04472	5.0
161.05994	32.2
165.05486	65.0
169.04993	3.8
171.08064	9.3
173.05986	11.0
175.07510	5.6
177.05490	15.7
181.06488	5.1
185.06013	13.5
191.07111	6.9
199.07562	15.1
201.05614	3.5
203.01630	2.0
203.07095	20.0
207.06508	2.3
215.07172	2.5
216.07237	2.7
217.08557	3.9
221.08170	5.1
227.06979	16.9
245.08124	23.0
263.09152	13.1
281.10275	8.8
319.47632	2.1
331.08304	4.5
349.09271	12.6
367.10321	21.0
387.85760	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	402.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58705	1.8
53.03938	8.4
55.01871	11.1
57.03424	6.3
60.04514	2.7
61.02908	7.3
68.51521	1.6
68.99787	3.3
69.03427	27.0
69.69791	8.1
71.04977	7.0
73.02913	9.9
80.05006	2.2
81.03417	31.6
85.02904	100.0
87.00830	39.8
91.03929	4.8
97.02890	41.3
99.04454	17.6
105.01871	46.1
108.04472	19.0
109.02882	35.9
117.01828	3.0
126.05527	11.9
127.03917	76.2
129.01796	5.2
136.51251	1.9
138.01282	1.9
144.06520	2.2
145.04962	42.4
147.02870	4.4
147.44043	1.8
154.08589	2.0
159.02907	24.8
212.05560	2.8
213.03938	4.8
230.06535	7.3
231.05029	19.5
248.07706	11.6
249.05971	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.29
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36391	1.5
53.03934	4.4
54.84434	1.1
55.01877	1.8
55.05260	1.5
55.05512	17.0
57.03438	5.9
57.07078	100.0
58.62212	1.1
67.05508	35.4
69.03078	1.8
69.03431	21.0
69.07075	22.1
70.06577	1.5
71.04979	4.0
71.08635	69.8
72.81629	1.1
73.02901	1.6
79.05486	3.6
81.03418	27.3
81.07057	50.5
83.08148	1.6
83.08626	32.8
85.02907	25.6
85.10186	38.8
95.08609	65.5
97.02900	14.6
97.10167	18.7
99.04438	12.2
99.11749	2.9
107.00166	1.2
107.08604	1.6
109.02885	12.0
109.10160	31.3
111.11706	4.8
123.11704	12.6
125.13248	3.1
127.03924	23.2
132.10204	1.3
137.13226	8.2
145.04939	6.8
150.11304	1.7
151.14822	2.9
165.16335	3.1
221.22664	2.6
239.23706	41.5
257.24759	3.4
357.35693	1.3
383.27954	11.9
401.28989	2.1
401.38177	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	401.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.7
55.01867	5.9
55.05510	11.7
57.07079	86.5
67.05508	29.9
69.03434	11.0
69.07077	17.8
69.31589	26.4
70.06594	6.9
71.04989	4.7
71.08636	65.3
73.02884	6.0
79.05477	5.1
81.03405	17.6
81.07070	43.1
83.08618	31.4
85.02909	5.1
85.10194	38.5
88.07632	7.0
95.08615	57.0
97.02903	86.0
97.10167	16.3
99.04448	29.3
101.41735	3.6
102.09158	4.2
103.02253	3.3
109.02883	17.7
109.10168	29.4
123.11696	17.0
125.13245	4.0
127.03946	38.7
137.13252	6.6
145.05016	6.5
145.10072	3.8
173.68854	2.9
239.23709	100.0
339.34531	6.9
383.27921	4.7
401.38470	20.7
402.39630	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	0.6
53.03946	3.5
55.01875	1.5
55.05513	14.2
57.03443	5.5
57.07080	100.0
58.07402	1.0
61.98152	0.7
67.05508	36.7
69.03435	24.0
69.03813	1.4
69.07073	22.8
69.38499	5.1
71.01363	0.9
71.04998	3.6
71.08636	70.7
73.02915	1.2
75.21414	0.7
79.05497	3.7
81.03428	23.8
81.07063	50.9
83.08626	32.6
85.02912	26.9
85.06554	1.7
85.10189	40.4
88.07661	1.4
89.06042	1.1
93.07066	2.3
95.08612	70.2
97.02899	17.8
97.03500	0.7
97.10175	17.2
97.10760	1.2
99.04462	9.6
99.08120	1.4
99.11739	3.3
105.06890	0.6
107.08607	1.3
109.02891	10.2
109.10166	34.7
110.10493	0.9
111.08073	0.7
111.11717	5.1
113.13347	0.9
123.11722	16.5
123.12565	1.1
125.13264	3.8
127.02969	1.1
127.03925	22.7
133.10150	0.9
137.13258	8.7
139.14917	1.7
141.16394	0.9
145.04973	8.0
151.14816	4.1
165.16486	2.1
165.95349	0.7
177.12775	0.7
179.18016	0.9
191.07143	1.1
221.22672	3.5
239.23721	37.7
257.24844	2.8
275.80881	0.7
298.27536	1.3
339.34451	0.7
341.26978	1.4
355.61151	0.7
383.27936	8.0
383.31918	0.7
401.16565	0.7
401.29471	2.2
401.38202	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31100	1.0
55.01887	1.2
55.05517	6.9
57.03439	6.1
67.05511	11.9
68.99818	1.8
69.07069	6.0
70.74648	3.2
71.05020	1.5
75.04482	2.5
76.16922	1.0
79.05498	4.0
81.03414	2.3
81.07066	15.9
83.04958	1.1
83.08634	5.7
85.06536	3.7
91.05489	3.1
93.07049	5.0
95.04971	1.6
95.08616	29.8
97.06542	5.3
97.10186	1.7
103.03934	5.6
105.07034	4.0
107.08595	1.8
107.73997	1.1
107.99721	1.0
109.06545	1.1
109.10139	7.1
111.00819	4.6
111.04507	1.5
117.05562	1.9
119.08605	4.4
121.10107	3.5
123.08109	1.3
127.03896	1.9
133.10147	3.1
135.11723	2.0
137.13330	1.9
139.03949	4.1
147.11726	1.5
161.13277	11.9
165.09146	1.1
179.14326	6.3
181.08690	1.1
197.15430	3.6
207.13783	1.0
215.16409	4.4
239.16418	2.6
249.14828	1.3
263.16565	1.2
281.17496	100.0
282.17862	3.7
291.15900	8.0
327.17923	3.9
365.19464	5.2
383.20642	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	401.2533
Annotation	Pterodontoside H
Peak:m/z	Relative Intensity
55.01865	15.0
55.05514	30.6
56.85042	7.3
57.03432	21.4
57.07075	14.0
59.04982	8.3
61.15273	7.5
64.94305	6.5
67.05504	32.6
69.03429	31.2
69.07067	58.2
70.44068	24.0
70.44421	9.9
71.04982	26.1
79.05489	34.4
81.07052	100.0
83.04984	10.6
83.08633	19.9
85.02912	56.9
89.25301	10.1
91.05474	27.3
93.07056	54.8
95.04955	22.9
95.08614	86.3
97.02906	16.3
97.06536	9.1
97.10164	10.7
99.08090	15.3
102.11222	9.0
105.07031	47.7
107.08588	98.7
109.10150	63.1
115.03927	8.3
115.41988	8.1
117.06996	10.5
119.08582	82.6
121.10150	47.2
121.68990	7.6
123.08086	14.6
123.11738	58.5
125.09697	13.1
127.03848	8.5
127.11174	22.0
129.06857	8.5
131.08572	12.0
133.04964	18.8
133.10126	32.4
135.08020	9.0
135.11681	74.2
137.09633	25.1
137.13278	17.2
141.12744	9.9
143.08545	12.1
143.10715	11.7
145.10141	18.6
147.11682	37.2
149.13283	47.1
151.14743	11.4
153.12756	15.1
156.09335	9.5
157.10153	37.9
159.11644	40.5
161.13249	21.9
163.14839	10.6
167.10712	7.8
169.10167	10.3
171.11674	13.3
173.13271	12.2
193.42343	8.9
203.17937	32.5
205.19540	25.5
221.19005	61.8
233.18974	27.0
239.20175	10.8
279.16058	12.7
311.20337	12.1
329.21164	18.6
347.22577	13.5
365.23151	11.9
383.24469	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	401.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20004	0.5
55.05518	0.7
60.57199	0.5
63.76242	0.6
67.05488	1.1
69.03451	0.7
69.07068	1.8
69.59544	1.7
69.59954	2.5
70.71005	0.5
72.59016	0.6
77.12295	0.6
79.05488	0.8
81.07040	2.1
83.08613	0.8
84.08155	8.3
91.05493	1.3
93.07059	1.5
95.08607	2.2
97.06514	0.6
97.64076	0.5
101.00934	0.6
104.10766	0.9
105.07040	1.0
107.08597	1.0
109.10162	1.2
119.01921	2.2
119.08598	1.6
121.10158	1.4
123.08127	0.8
130.08667	1.1
133.10126	1.0
141.07100	0.6
147.07919	0.6
147.11647	0.8
151.07567	0.7
158.34338	0.6
161.09668	0.8
184.07277	0.7
185.04207	0.5
187.00986	1.8
201.16208	0.6
203.03905	0.5
217.15950	0.6
222.24371	0.6
227.05336	1.1
227.36421	0.6
257.70978	0.6
271.04361	2.9
277.18240	0.6
289.05298	1.5
315.17682	2.7
320.29553	1.2
333.17444	0.8
339.17868	1.1
357.18854	20.6
358.18906	0.7
383.32733	2.4
401.17859	100.0
402.13379	0.6
402.17892	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.8
55.01864	4.0
57.03423	3.1
61.02912	3.4
61.73985	0.9
66.04527	0.8
68.69476	0.8
68.99782	2.6
69.03075	1.4
69.03436	20.3
70.06586	1.3
71.04993	2.9
71.55796	1.6
73.02912	4.7
79.05506	1.0
81.03420	21.5
83.01354	1.5
85.02911	48.0
87.00833	16.4
87.84949	1.0
90.86568	1.2
91.03934	1.9
91.05466	1.3
97.02900	15.1
99.04451	6.1
102.17937	0.9
102.92262	1.0
105.01884	11.7
105.07012	2.7
109.02887	23.8
117.01835	3.8
127.03924	33.9
129.01822	2.4
133.06461	2.6
135.04439	1.8
137.05988	3.1
145.04965	12.2
147.02890	1.8
150.06853	1.1
153.05473	100.0
153.10246	1.6
159.02904	13.5
161.09627	1.0
165.09125	7.3
213.03922	2.7
231.05026	5.3
343.13699	1.3
357.15277	2.2
360.17181	1.0
401.13379	5.6
401.17865	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70381	0.5
55.05517	9.5
57.07068	1.3
58.06589	2.2
67.05492	1.1
68.05009	0.6
69.06773	0.6
69.07076	6.7
70.06597	15.8
71.08611	1.3
71.09249	0.7
72.08149	1.1
74.06075	1.6
81.07073	0.9
83.08624	4.0
86.09713	1.3
87.04468	0.6
88.07639	28.4
95.08594	0.9
97.10165	1.2
102.09187	12.6
112.98138	0.5
132.10228	1.6
141.95195	0.5
146.11722	0.6
150.11256	1.1
157.79539	0.5
167.49654	0.5
179.54274	0.6
210.90724	0.5
213.82344	0.5
242.16196	0.5
338.34183	28.4
339.34610	0.6
382.37149	2.3
400.37881	100.0
401.38251	2.1
416.92227	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0093
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	10.2
63.19823	2.3
69.75630	11.2
88.54458	2.4
98.20756	2.6
98.97591	100.0
100.56206	2.1
103.62948	2.1
116.98630	69.0
119.01991	2.5
134.99655	35.6
140.00217	3.3
153.00690	4.4
219.01868	4.5
220.02010	3.3
232.96570	3.0
240.98798	6.3
252.31117	2.4
256.96667	6.1
258.99786	67.9
259.02444	4.1
261.03116	7.2
262.03244	5.0
263.02829	2.1
271.43564	2.2
274.97534	46.0
275.00284	4.3
275.97977	5.0
276.97830	6.5
277.00830	76.6
278.00940	4.6
279.00891	3.1
282.99973	9.7
292.98639	23.1
294.98529	4.5
300.02432	2.4
301.01114	14.5
302.01364	2.9
303.00879	4.7
316.99005	3.2
318.92993	2.7
382.99884	6.1
401.01224	23.0
418.97424	4.1
419.02570	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	401.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	27.9
60.64422	1.7
69.03422	2.9
69.87893	7.1
82.86275	1.6
84.96051	11.4
85.02885	5.7
90.50655	1.5
95.90228	1.6
97.02872	4.5
98.97590	71.6
107.04945	6.2
109.02873	1.9
110.97583	30.2
112.99136	5.7
116.98621	33.0
128.97672	2.4
128.98610	35.6
131.00172	5.7
134.99648	11.4
136.06139	2.4
137.02327	2.1
140.98628	2.0
143.00128	6.4
146.99666	18.2
147.04376	4.8
149.01205	3.9
152.98657	1.8
154.94104	3.0
158.99681	8.2
159.74348	1.8
160.99126	9.4
161.01212	11.3
163.03966	2.7
165.00740	2.3
170.99683	7.8
172.95221	4.9
173.02776	2.1
177.00711	11.2
179.00177	36.1
179.01852	3.2
179.02350	3.0
189.00690	9.8
197.01225	92.8
198.01598	2.1
199.99980	2.7
200.01996	1.6
201.00703	6.3
215.02255	17.3
216.63210	1.9
219.01781	57.6
219.03899	2.9
220.02806	2.2
221.01262	3.0
221.05049	2.1
233.03268	3.7
237.02821	100.0
239.02261	6.2
255.03856	7.6
257.01227	4.9
257.03494	3.5
260.04440	2.0
263.02069	1.7
265.03711	1.8
275.02234	6.9
281.03473	3.6
293.03394	5.0
305.03253	3.2
323.04416	56.2
325.05829	9.8
341.05457	53.1
359.06503	97.8
374.39960	1.9
377.07492	2.8
382.08017	3.0
401.07227	11.4
409.32611	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	7.5
57.07073	2.7
59.84607	1.1
67.01871	1.5
67.05502	4.7
67.65854	1.1
68.99791	4.6
69.07072	9.6
70.10545	4.7
70.42002	1.2
71.08636	1.9
79.05495	4.1
81.07052	5.1
83.04958	1.7
83.08611	4.0
91.51769	1.1
93.07048	4.4
95.08607	5.0
96.74937	1.0
97.06535	3.8
97.10148	5.4
107.08580	5.0
109.10185	2.7
111.00819	18.6
111.04435	3.0
111.08082	1.9
111.11748	1.3
119.08527	1.3
121.10158	4.9
123.04413	1.2
125.06016	2.4
127.03927	7.9
133.10097	1.4
135.08035	1.9
135.11703	3.8
139.03920	10.5
139.11163	1.4
149.09647	1.3
153.09157	1.4
166.35710	1.2
167.10655	1.9
177.16364	1.5
181.08594	1.3
181.12303	1.3
195.10184	3.5
209.11720	4.3
223.13332	4.5
237.14931	2.5
237.18562	4.9
261.18127	1.4
265.18115	2.2
279.19617	19.2
307.19067	100.0
308.19434	3.0
381.22708	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	399.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	9.0
55.01869	9.6
55.05271	3.6
55.05515	54.8
57.03429	10.3
57.07082	32.9
65.03927	4.3
67.05175	6.5
67.05513	95.6
69.03124	4.1
69.03435	44.8
69.06718	5.3
69.07071	76.6
71.01342	5.7
71.04984	10.2
71.08627	18.4
72.52171	3.7
73.02913	7.0
78.09219	3.5
79.05494	55.8
81.03425	88.2
81.07068	100.0
83.04971	12.0
83.08625	50.7
85.02924	30.8
85.06531	8.7
85.10174	12.9
88.07572	4.7
91.05477	31.7
93.07043	61.0
95.04954	14.8
95.08612	87.2
97.02895	18.6
97.06529	11.3
97.10181	30.8
98.20705	7.2
99.04455	15.5
99.08097	7.0
101.06039	7.2
102.09257	4.0
103.03865	4.3
105.07048	26.4
107.04962	8.0
107.08600	36.9
109.02861	11.3
109.06528	13.1
109.10153	32.9
110.24321	3.0
111.04457	19.1
111.08074	7.8
111.11726	8.9
113.09702	6.5
117.06994	8.3
119.08582	20.7
121.06500	8.7
121.10163	43.7
123.04398	5.2
123.08092	3.5
123.11696	18.3
125.09622	7.1
127.03912	12.4
129.05475	4.2
129.07065	4.2
131.08554	16.1
133.06546	6.6
133.10107	14.2
135.08052	6.0
135.11674	31.3
137.13248	7.6
139.11192	6.1
143.08548	7.3
145.04900	6.1
145.10124	12.8
147.08064	7.3
147.11696	9.2
147.67322	3.9
149.09596	6.7
149.13237	16.9
153.12776	5.7
155.08606	4.9
155.35545	3.7
157.10126	10.5
159.11696	4.6
161.13194	7.9
163.14806	8.6
165.12715	4.2
173.11717	3.5
173.13264	5.3
175.14841	6.8
177.12601	4.5
177.16330	4.5
179.14232	8.9
187.14751	4.7
219.21086	21.2
233.15375	6.4
237.22151	30.0
261.22137	4.1
265.21613	7.6
273.22223	3.8
279.23218	7.2
295.22690	6.8
296.29456	72.3
303.23099	5.3
307.22720	6.0
317.24631	6.9
321.24286	6.4
327.23090	8.4
335.25748	4.4
338.34015	5.9
342.32056	3.6
345.24191	45.4
363.25339	38.3
381.26413	22.5
399.26782	11.6
400.37738	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	399.2379
Annotation	Neorustmicin B
Peak:m/z	Relative Intensity
50.89639	3.0
55.01849	2.9
55.05505	9.7
57.07082	4.2
65.08977	2.9
67.05497	9.5
67.79766	3.4
68.99797	5.4
69.07052	14.7
70.82108	10.3
71.08654	5.1
74.02142	3.7
79.05485	5.4
81.07033	11.4
81.23805	3.4
83.08605	8.4
93.07027	6.0
95.08620	6.1
97.06538	6.0
97.10138	7.7
105.07053	3.6
107.08594	8.0
109.10135	5.3
111.00828	15.9
111.04441	3.4
121.10139	5.6
127.03906	7.0
135.11679	3.8
139.03935	11.7
139.11127	4.0
173.09795	3.5
177.16319	4.0
195.10010	4.4
209.11720	4.5
279.19528	20.0
307.19040	100.0
311.56873	3.4
377.37833	3.3
381.22717	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.3
55.05500	12.0
57.03435	3.4
61.02925	4.4
67.05496	8.6
69.03436	17.9
69.07056	10.5
70.66278	7.5
71.04990	16.1
79.05472	9.8
79.07753	2.8
81.03406	10.8
81.07056	34.1
82.85757	2.7
83.04977	12.9
83.08615	3.7
85.02912	34.6
86.09731	14.0
89.76262	3.1
91.05456	11.2
93.07037	25.8
95.08591	22.6
96.08786	3.1
97.02888	12.4
98.63008	2.8
99.04434	4.1
105.07040	26.4
107.08604	29.0
109.02857	7.4
109.10158	24.2
110.07138	5.9
115.05369	2.9
117.07009	4.8
119.08590	13.3
121.10153	41.1
123.08086	3.5
123.11683	17.6
127.03938	13.9
127.11221	4.5
131.08577	15.5
133.10141	100.0
135.11700	27.8
136.07542	3.4
143.08537	3.3
143.10594	3.0
145.04910	5.6
145.10168	15.7
147.11667	18.2
151.11183	6.2
153.12752	19.8
159.11714	17.3
191.17949	21.4
201.16391	17.9
209.18997	4.3
219.13876	3.8
219.17380	19.9
237.18553	11.2
259.19495	3.0
288.37753	3.2
385.29828	3.1
399.19916	4.4
410.54218	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	399.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39593	2.4
53.03938	7.0
55.01879	3.5
55.05506	8.7
57.03445	4.3
57.07098	2.8
57.18102	2.3
59.05003	2.8
61.02924	8.9
67.05502	11.6
69.03434	34.3
69.07070	4.7
71.04992	16.5
71.08619	2.7
71.10910	3.4
71.11251	4.7
73.02924	4.0
79.05496	11.7
81.03439	17.0
81.07069	36.0
83.04980	4.9
83.08610	5.6
84.23927	2.7
85.02911	49.5
85.06551	4.1
87.04445	3.2
91.05486	9.1
93.07062	17.5
95.04984	8.6
95.08614	18.2
97.02890	23.4
97.06520	4.9
99.04483	4.3
99.08087	4.8
101.06080	3.0
105.07041	43.5
107.08615	20.0
109.02884	8.9
109.06507	5.9
109.10172	14.9
111.04394	3.0
117.07029	6.1
119.08604	26.3
121.06558	5.6
121.10140	16.4
123.08102	5.8
123.11725	7.6
125.09647	11.7
127.03921	26.7
127.11194	4.1
129.07013	5.4
131.08574	16.7
133.05148	2.4
133.10138	37.1
135.08061	9.1
135.11719	9.7
137.05968	3.1
137.09604	7.3
142.07809	4.4
143.08583	6.3
143.10686	8.7
144.09378	4.5
145.04988	6.6
145.10136	11.8
147.11708	27.4
149.09590	4.1
149.13254	5.8
151.07570	7.1
153.12808	4.5
155.10623	2.6
157.10139	6.1
159.11707	32.6
161.09641	6.7
161.13261	3.6
163.07539	9.6
173.04477	5.3
173.13287	6.3
177.12787	10.5
181.08682	8.2
191.14238	3.3
191.18031	5.0
193.15984	2.6
201.16429	8.4
219.13850	19.5
219.17421	13.4
224.85327	2.5
228.15422	2.9
237.14873	100.0
237.18524	5.3
334.73633	2.3
389.00381	2.8
399.20193	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	399.2378
Annotation	Hypochoeroside K
Peak:m/z	Relative Intensity
53.03933	6.4
53.19956	2.4
55.05516	15.0
57.03436	5.4
57.07047	3.0
61.02893	4.6
63.83031	2.8
67.05506	10.6
69.03429	25.3
69.07064	9.3
69.55249	6.1
69.55650	19.3
71.04984	21.1
73.02902	4.8
77.03875	3.0
79.05493	10.7
81.03410	13.4
81.07058	39.7
83.04996	13.6
83.08619	4.3
85.02905	50.9
85.06501	3.0
86.09695	19.4
91.05466	16.7
93.07042	35.3
95.08608	27.2
97.02903	18.2
97.10168	4.1
99.04436	6.8
99.08086	4.7
105.07034	28.6
107.08589	33.2
109.02876	11.5
109.06503	3.8
109.10146	18.2
110.07143	6.3
119.08566	14.8
121.10132	49.2
123.08082	3.6
123.11713	17.3
127.03899	18.1
127.11227	5.9
131.08574	20.3
133.10129	100.0
135.08121	4.0
135.11699	32.0
143.08635	4.7
145.04958	4.7
145.10118	16.8
147.11661	18.5
149.09576	3.1
149.13261	6.8
151.07550	7.5
151.11134	5.6
151.76027	3.2
153.01711	3.2
153.12738	19.4
159.11736	17.4
161.09676	3.4
161.13235	6.5
163.11137	4.4
173.13292	5.7
177.12691	5.0
191.17932	21.9
201.16371	15.1
209.18985	8.1
219.13805	4.0
219.17433	23.4
227.08153	4.6
237.14923	15.1
237.18510	17.0
255.07640	4.0
381.22684	4.7
399.20197	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	399.2381
Annotation	Hypochoeroside K
Peak:m/z	Relative Intensity
53.03945	3.1
53.12798	2.1
55.01865	3.7
55.05515	7.8
57.03437	4.3
57.07073	3.1
58.97383	2.1
59.05008	3.6
61.02927	5.2
67.05499	20.9
69.03430	15.3
69.07069	9.2
69.55523	14.8
71.04987	9.4
73.02904	2.6
79.05489	14.0
81.03412	8.1
81.07056	53.4
81.18912	2.3
83.04971	5.1
84.08134	6.7
85.02911	25.6
85.06532	4.9
91.05488	14.3
93.07047	100.0
95.04970	8.2
95.08614	44.8
97.02894	9.2
97.06528	24.5
99.04442	4.9
105.07036	20.3
107.08598	31.3
109.02860	4.9
109.06518	14.5
109.10136	21.6
111.08076	4.2
113.09685	3.4
119.08591	28.3
121.10148	34.9
123.08078	19.8
123.11709	24.8
125.09628	5.7
127.03925	5.3
127.07584	3.3
129.07027	2.6
133.04958	4.6
133.10139	21.7
135.08012	4.4
135.11716	16.0
137.06068	2.4
137.09631	5.8
145.04970	3.3
145.10133	9.9
147.11693	16.4
149.13310	5.7
151.07489	4.3
151.11180	31.8
153.01843	24.6
159.11688	8.5
161.13297	6.3
163.11221	13.1
173.11874	2.2
173.13266	4.9
175.14780	2.5
179.05554	2.7
179.10664	5.4
181.12254	22.2
201.16411	9.9
203.17943	11.5
214.84184	3.0
219.17451	98.4
220.17857	3.2
262.08868	3.7
273.07535	4.7
299.20093	3.3
301.03531	2.7
313.03406	4.5
317.21115	7.3
335.22183	9.6
353.23010	2.3
355.08154	6.2
363.21671	4.0
381.09714	4.6
381.22537	3.2
399.10687	14.7
399.16525	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.2
55.16552	0.9
57.03430	1.6
57.92678	0.9
64.26787	0.9
64.29245	1.0
67.05493	1.8
69.03420	1.4
69.07054	3.1
69.45351	7.7
71.04977	0.9
79.05473	1.6
81.07042	4.1
84.04512	1.9
85.02896	2.0
86.03883	1.0
93.07030	2.2
95.08608	2.8
97.02848	1.1
102.79805	0.9
105.07026	1.8
106.41987	1.2
107.08571	2.2
109.06525	1.3
109.10137	2.0
111.04420	1.3
116.07092	1.0
119.01923	1.5
121.10133	2.0
123.11708	0.9
125.95554	1.0
131.08539	1.0
136.46730	0.9
143.01872	1.5
147.11674	1.5
151.11182	1.5
159.11708	0.9
227.05266	1.3
229.01901	1.0
243.04753	6.2
271.04282	2.2
287.03720	15.5
289.05103	2.2
301.03223	2.1
313.03320	2.3
313.16159	2.6
315.04871	1.4
355.08237	1.7
355.17319	15.4
399.10944	8.7
399.16217	100.0
400.16391	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	399.06
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64287	1.4
56.96570	49.1
60.34093	1.2
66.49796	1.2
71.47150	2.6
71.95206	1.3
73.94820	1.4
74.97579	1.5
80.36355	1.3
84.96041	12.8
85.02908	3.6
87.87448	1.3
97.02888	5.4
98.97591	100.0
101.00845	2.1
102.97054	1.2
104.64018	1.2
107.04910	1.6
110.97582	20.3
112.99119	4.6
113.46139	1.3
116.98626	51.4
119.01912	4.2
124.99152	2.2
126.97139	1.4
128.98615	24.0
131.00174	5.6
131.01007	1.2
131.01941	2.1
131.04980	1.3
133.06581	1.3
134.99675	16.3
137.02359	8.5
140.98566	2.7
143.00169	14.3
144.98068	3.5
145.03456	3.9
146.16858	1.3
146.99646	12.8
147.04405	4.0
149.01241	4.2
151.00688	1.6
153.00714	1.5
155.01869	3.2
158.99677	10.6
161.01237	28.8
162.99153	2.9
163.03934	3.0
169.01772	2.9
170.99672	6.2
173.01366	1.6
173.02960	2.9
176.98735	2.5
177.00681	14.0
179.02272	8.1
181.98810	1.5
182.99677	2.4
185.02934	1.8
189.00714	6.1
194.99638	13.2
195.01450	11.0
201.00655	11.0
203.04060	1.9
207.01796	2.7
213.00719	57.2
213.02530	4.9
219.01773	47.1
221.03056	1.7
221.05069	2.6
223.04686	1.8
231.01694	37.6
231.03577	5.5
237.00772	3.1
237.02820	59.6
239.04091	1.4
245.05028	2.2
249.02814	2.2
255.01704	4.0
255.03719	5.4
260.04517	1.7
261.02820	2.9
263.04092	1.6
267.01743	2.4
273.02667	4.1
279.01407	2.5
279.03961	2.8
285.02600	1.7
291.01651	6.2
291.03973	2.5
297.02625	1.9
321.02722	3.2
339.05182	24.9
357.05130	30.5
375.06042	4.7
380.07339	1.4
399.05966	52.6
417.07068	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	397.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66067	4.7
55.05504	19.1
57.07066	17.2
67.05505	37.8
68.84708	4.5
69.07077	32.6
71.08638	23.2
71.13268	10.7
79.05492	20.5
81.07069	64.5
83.08616	15.9
84.63062	4.4
85.10175	11.7
91.05478	17.6
93.07064	23.7
95.08610	53.5
97.10185	16.3
105.07028	31.5
107.08615	22.7
109.10179	40.8
119.08597	31.6
121.10159	18.4
123.11708	14.4
133.10123	26.7
135.11708	37.5
137.13220	9.1
147.11690	61.3
149.13264	21.5
151.14833	8.5
159.11629	5.2
161.13290	41.6
163.14812	7.1
173.13324	7.1
175.14810	16.7
189.16388	8.1
201.16454	9.5
203.18016	7.2
215.18011	8.8
217.19444	7.1
229.19395	6.3
243.21074	9.5
256.11761	4.9
257.22592	10.8
261.25787	5.4
287.27246	6.8
315.30579	5.7
338.42535	5.4
392.95789	8.4
397.38358	100.0
424.35550	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	397.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97187	1.8
53.03948	4.2
55.05514	16.7
57.07080	18.7
58.58245	1.5
67.05512	30.7
69.07073	32.0
71.08634	20.6
71.12412	1.9
71.12765	2.5
72.27267	1.5
79.05504	20.1
81.07065	73.7
83.08628	20.4
85.10180	13.2
88.19141	1.7
91.05486	20.2
93.07046	32.4
95.08617	61.3
97.10159	11.0
105.07046	34.1
107.08595	30.8
109.10168	46.5
111.11723	11.3
119.08588	33.9
121.10158	21.1
123.11695	15.1
125.13306	2.2
127.18704	1.6
131.08551	3.6
133.10138	24.6
135.11713	37.3
137.13263	4.6
145.10147	8.8
147.11702	68.9
149.13275	15.0
151.14828	4.8
159.11710	7.8
161.13277	47.0
163.14838	7.9
165.16460	3.0
173.13304	3.2
175.14861	20.4
177.16345	3.1
185.47125	2.0
187.14886	4.1
189.16399	11.3
201.16365	4.9
203.17906	9.0
215.17941	11.1
217.19525	6.0
229.19489	8.1
233.22890	2.0
243.21078	6.5
257.22650	6.3
261.25739	4.6
262.89603	2.3
275.27448	2.7
285.25732	1.8
286.89694	2.0
287.27304	4.4
299.27429	2.2
301.29056	3.6
315.30557	4.6
334.12036	2.0
350.94711	1.8
397.38345	100.0
398.38840	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	397.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92848	5.4
55.05497	29.4
57.03436	6.9
57.07065	19.9
67.05516	76.4
69.03430	24.7
69.07075	34.1
69.36754	59.9
71.04987	6.6
71.08624	9.9
79.05081	8.2
79.05486	43.3
81.03422	29.2
81.07069	100.0
83.04978	7.4
83.08626	14.3
85.02907	9.6
85.06554	8.5
85.10158	6.3
91.05486	50.9
93.07047	51.2
95.04964	22.4
95.08620	64.7
97.02896	15.2
97.10197	7.5
99.04469	7.7
99.08088	17.1
105.07050	40.4
107.04939	7.8
107.08585	27.3
109.10152	33.7
111.04429	9.7
117.07053	10.7
119.08578	33.3
121.06529	9.4
121.10172	31.0
123.11724	6.8
129.06955	9.2
131.08578	15.0
133.10165	18.0
135.08101	8.7
135.11674	29.1
143.08549	9.3
145.10132	17.5
147.08072	9.1
147.11688	24.3
149.13258	17.3
156.30363	7.4
157.10172	7.6
157.73346	6.8
159.11656	8.1
161.13251	22.9
173.13377	9.6
175.14815	10.9
191.14427	6.5
195.13774	9.7
217.19580	11.2
235.20590	13.2
277.21613	7.8
290.05518	7.3
324.96692	6.2
325.21729	7.6
343.22519	14.5
361.23694	11.6
379.24872	8.6
397.38361	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	397.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01623	1.5
55.01877	24.4
55.05518	5.6
57.07084	7.4
67.05512	4.5
69.07077	14.9
69.51195	2.9
69.51611	6.1
71.08636	6.1
77.35475	1.1
79.05505	1.7
81.07066	11.1
83.08626	12.2
85.10201	2.9
91.05493	3.9
92.60542	1.2
93.07056	2.3
95.08618	12.2
97.02903	35.3
97.06522	1.1
97.10176	8.2
99.04498	2.3
105.07052	1.5
107.08614	3.6
109.10189	6.6
111.08076	1.4
111.11729	6.7
115.03944	100.0
119.08587	2.0
121.10136	4.1
123.11742	4.1
124.78410	1.2
125.09573	1.4
125.13312	2.8
133.10185	1.8
135.11635	1.8
137.13312	2.1
139.07535	2.9
147.11688	1.7
149.13289	1.6
153.09138	1.5
153.16525	1.2
163.14972	1.2
165.09163	1.4
167.10736	2.3
240.68866	1.1
267.68753	1.2
283.30005	1.6
361.31003	7.8
379.32138	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.0
55.01857	5.6
55.05521	16.0
57.07069	5.1
59.04988	4.0
62.06877	2.3
67.05514	34.6
69.03432	16.8
69.06720	2.8
69.07074	32.4
71.04992	28.0
71.56243	3.0
73.06555	2.7
79.05506	18.3
81.03413	9.3
81.07065	50.5
83.04982	6.4
83.08621	10.6
84.08118	3.4
85.02905	12.1
85.06539	4.7
89.06046	3.0
91.05488	22.9
93.07056	45.9
95.04984	27.9
95.08614	31.5
97.02892	6.9
97.06523	11.2
97.10164	7.0
99.04454	3.7
99.08057	3.1
105.07041	43.3
107.08600	100.0
109.02873	4.8
109.06501	10.0
109.10168	49.1
111.08095	43.6
119.08577	45.7
121.06493	6.5
121.10148	24.0
123.08099	5.8
123.11703	13.4
125.09650	30.0
127.03945	7.8
129.06963	2.8
131.08589	14.4
133.10135	23.8
135.11699	45.6
137.05984	8.1
137.09645	5.8
142.07898	2.8
143.08591	6.5
145.10129	29.3
147.08032	7.6
147.11700	63.8
149.09593	7.6
149.13303	6.1
153.12749	32.0
155.08440	2.4
157.10123	9.4
159.11723	10.6
161.09610	6.2
161.10805	2.7
161.13243	5.6
163.03972	4.2
163.11182	6.9
165.09084	3.0
165.12810	5.7
173.13202	4.3
175.11235	9.0
175.14825	9.4
189.16415	39.4
191.17970	4.1
193.15872	5.8
199.14926	3.7
202.07378	5.0
207.17395	7.0
215.93442	2.3
217.09706	3.4
217.15848	31.6
235.16936	25.8
253.18060	12.2
260.09988	3.6
261.08743	38.0
283.68338	2.5
295.23831	2.9
333.20746	3.0
367.14734	2.9
397.09698	2.8
397.17325	5.5
397.22421	17.0
398.16876	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.5
55.01865	1.4
55.05511	4.1
57.03434	3.5
57.07095	0.9
61.02943	0.8
61.26194	0.8
67.05512	4.8
68.99786	1.2
69.03434	2.2
69.07088	4.9
71.17470	1.1
71.17807	1.2
74.53851	0.8
79.05508	13.1
81.07069	11.3
83.04980	6.7
83.08609	2.2
85.06545	1.6
91.05511	4.6
93.07052	10.9
95.04977	3.4
95.08617	9.8
97.06535	3.9
97.10196	1.9
98.27457	1.0
105.07033	7.1
106.24464	0.9
107.04973	15.2
107.08624	11.8
107.39936	0.8
109.06531	2.9
109.10173	6.5
111.04489	1.3
111.08120	1.3
113.06039	2.3
115.03962	1.0
117.05501	3.3
117.07063	1.2
118.32590	0.8
119.08610	5.7
121.06474	2.2
121.10168	6.9
123.08090	3.1
125.06008	100.0
131.08594	2.9
133.10141	5.2
135.08075	2.2
135.11696	6.7
137.09592	1.4
139.07573	3.5
143.08560	2.2
145.10176	4.4
147.08073	1.4
147.11703	3.0
149.09637	2.4
149.13165	1.0
151.11195	1.1
153.09064	1.1
157.10130	2.4
159.08098	0.9
159.11749	2.4
161.09639	1.9
161.13319	2.1
163.11182	2.6
165.09109	1.5
167.10722	2.8
169.10080	1.0
171.11703	2.0
173.09601	1.0
173.13310	3.1
175.11267	1.5
175.14969	1.1
181.12317	1.3
185.13226	1.8
187.11240	1.1
187.14818	1.2
189.12741	1.8
193.12268	1.0
205.12238	0.9
213.12729	1.0
229.15886	5.4
233.15442	1.0
235.13130	1.3
247.16995	12.2
257.15436	2.7
259.60345	0.8
265.18008	10.0
275.16449	5.6
277.14410	2.9
277.17581	0.9
281.17511	5.5
290.37939	0.8
293.17688	1.6
304.24747	0.9
305.13815	4.2
311.18594	6.2
345.50003	0.9
379.17535	12.3
391.88763	0.9
397.18640	19.6
397.31122	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.9
55.01878	5.6
57.03437	5.4
58.67270	1.0
61.02928	6.2
61.70882	1.2
68.99796	3.3
69.03073	2.1
69.03434	33.3
69.87083	5.8
71.04996	4.2
72.67368	1.2
73.02911	5.1
74.39613	1.2
81.03426	21.4
85.02914	100.0
86.23228	1.1
87.00297	2.5
87.00838	47.2
91.03941	1.6
93.83369	1.1
97.02902	30.6
99.04472	12.2
101.02428	1.6
105.01879	80.7
108.04521	2.2
109.02894	29.8
115.03940	1.5
117.01884	2.4
118.38575	1.1
127.03927	65.5
129.01872	3.0
133.49641	1.2
145.04977	34.8
147.02969	2.5
151.12216	1.1
159.02896	10.6
189.03946	4.6
213.03963	2.5
231.05026	20.8
249.05927	5.3
267.56741	1.2
281.60297	1.2
379.02094	1.2
413.28955	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86842	0.9
53.03958	5.0
54.71468	0.8
55.01874	7.9
57.03440	6.2
57.07063	1.0
60.08222	0.9
61.02932	7.0
61.12995	0.9
68.99795	2.9
69.03434	38.0
69.07063	1.2
69.56213	7.0
71.04993	3.4
71.08652	1.3
73.02927	5.2
81.03422	23.8
85.02910	100.0
87.00836	41.8
89.22405	1.0
91.03958	1.9
97.02899	34.2
99.04474	15.8
100.11262	1.3
105.01872	60.5
108.04483	1.8
109.02888	26.7
111.04487	1.1
115.03996	1.3
117.01897	1.7
124.22289	0.9
127.03925	64.3
129.01839	3.1
143.36017	1.0
145.04974	29.6
147.02899	2.1
159.02902	11.9
168.13857	1.3
171.02907	1.2
181.79695	1.3
189.03941	4.0
198.89342	1.0
213.03914	2.3
231.05020	20.5
249.06044	4.3
262.89719	1.1
280.77539	1.1
305.17529	2.0
314.44302	1.3
396.32004	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1645
Annotation	Ponganone VI
Peak:m/z	Relative Intensity
50.88893	1.3
53.48952	1.6
55.01860	2.8
57.22550	1.4
59.81525	1.5
63.68859	1.5
65.66543	1.4
67.05483	1.7
69.03439	2.5
70.96780	2.7
70.97112	2.1
78.20410	1.3
79.05496	1.9
81.03411	2.5
81.07048	3.0
81.94312	1.7
85.02903	2.7
86.09663	2.1
91.05488	12.3
93.07059	1.8
94.04186	3.7
95.04985	1.9
103.05459	3.1
105.07043	1.7
106.75146	1.4
107.04940	4.6
109.06509	2.2
110.94375	1.4
111.04385	1.5
115.05452	2.1
116.06210	2.0
119.04932	6.9
121.06551	2.0
122.03670	8.2
123.04427	1.7
125.00492	1.6
128.06233	5.3
129.07025	6.4
131.04924	2.2
131.08562	5.5
133.06496	2.4
133.10072	1.9
135.04515	2.2
135.08018	2.4
137.05991	100.0
141.06967	4.0
142.07765	2.4
143.08536	4.2
144.05716	1.8
144.95839	2.5
145.06477	1.9
145.10121	2.2
147.04375	3.4
147.07968	1.9
149.05974	6.6
149.09631	3.1
151.03868	1.5
151.07556	12.8
152.06236	2.3
153.06955	3.4
155.08549	5.3
157.06483	4.4
158.07272	3.4
159.08067	5.0
161.05997	13.8
161.09575	4.1
163.07570	2.2
165.07014	4.9
167.08594	4.9
168.05717	1.6
169.06453	2.6
170.07230	2.4
171.08104	5.4
172.08842	2.2
173.06084	1.5
173.09616	2.9
175.07629	3.9
177.05322	1.4
181.06535	3.5
182.07243	7.0
183.08102	4.5
184.05176	2.5
184.08914	3.9
185.05931	2.5
185.09625	11.3
186.06769	2.7
187.07573	9.2
189.09126	3.4
189.52626	1.8
191.07083	7.4
195.07968	3.0
197.06013	3.9
197.09642	8.9
198.06760	18.4
199.07521	10.2
199.11217	2.1
199.32895	1.3
200.08223	2.7
201.09064	4.1
202.07829	4.0
203.10674	2.0
204.97285	1.5
210.06842	3.4
211.07481	3.8
212.08333	6.3
213.09120	26.0
215.08762	2.6
215.10567	8.0
217.10274	2.0
221.05949	1.7
225.09081	14.8
229.10295	2.0
232.08850	2.4
233.09596	2.1
234.98961	2.0
242.07272	2.6
242.09497	3.5
243.08015	3.1
243.10170	18.1
245.09488	3.8
245.11758	3.6
246.10239	3.1
249.09167	2.9
250.09923	1.6
255.10214	8.5
257.09738	2.9
259.07513	3.4
261.09048	6.0
263.07031	1.9
263.10562	2.7
264.07867	3.8
265.08591	4.1
271.07556	2.4
272.08395	2.7
273.11276	68.0
275.06952	1.9
275.10571	4.1
276.07825	3.6
277.08563	5.3
277.12030	2.4
278.09351	2.9
285.09274	2.4
286.10043	2.0
287.07175	2.3
287.10574	2.9
288.07791	2.4
289.08661	4.4
289.12195	2.9
290.09317	3.5
291.10043	9.1
292.07394	2.9
292.10822	3.6
293.08069	4.3
293.11627	5.8
301.08597	2.7
302.09619	2.5
303.06866	1.6
303.10257	7.0
305.08466	1.7
305.11707	5.1
306.09189	1.8
307.09705	16.2
308.10367	7.8
309.11172	1.7
315.10257	1.6
317.11703	3.8
318.12631	2.0
319.09708	4.6
319.13412	2.3
321.11139	9.3
322.12033	3.0
329.11688	1.7
333.11111	4.7
334.11908	2.6
335.12845	9.3
336.13580	3.5
337.14386	2.8
339.12320	3.7
349.14362	8.3
351.12234	17.0
353.13864	3.6
354.14700	26.9
356.04349	4.8
361.14343	4.5
367.15359	6.1
374.05328	4.5
379.15411	15.2
397.16467	95.6
398.16882	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	395.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56823	4.0
53.03946	13.9
55.01868	13.3
55.05514	31.1
56.16157	4.6
57.03431	12.1
57.17495	3.7
65.03923	5.4
67.05511	78.2
68.23821	4.1
69.03439	29.3
69.07076	36.6
69.73372	23.8
70.06599	6.7
71.04990	8.9
73.02900	8.7
79.05502	91.0
81.03435	46.4
81.07063	84.5
83.04980	14.7
83.08610	19.1
85.02898	16.8
85.06525	8.7
91.04964	6.8
91.05488	72.4
93.07052	100.0
95.04966	22.8
95.08607	50.4
97.02892	16.4
97.06541	8.1
99.04468	9.5
99.08068	8.3
100.65874	4.1
105.07049	59.9
107.04974	9.3
107.08606	48.1
109.02914	5.6
109.06545	11.1
109.10161	25.6
111.00810	11.2
111.04445	8.7
111.08084	9.2
115.08689	11.1
117.07026	34.6
118.96669	3.6
119.08583	50.3
121.06528	11.4
121.08481	4.1
121.10161	52.1
123.11713	10.9
125.09642	5.4
127.03925	11.1
128.06270	5.7
129.06999	18.5
131.08582	44.3
133.06430	4.1
133.10146	50.5
135.08093	6.6
135.11710	35.6
137.09653	5.3
139.03912	10.9
141.06970	10.3
143.08572	22.1
145.10109	36.0
147.08066	5.3
147.11703	38.8
149.09636	15.4
149.13271	12.9
151.11217	6.0
155.08549	7.7
157.10138	15.8
159.08092	8.5
159.11714	29.2
161.09666	9.2
161.13275	14.8
163.11179	10.2
163.14873	4.9
165.12741	4.0
169.10184	9.0
171.11716	15.4
173.09636	5.7
173.11955	4.2
173.13182	21.3
175.11124	8.5
181.10063	6.3
185.13275	13.7
187.11168	11.4
189.12787	5.6
197.13306	7.9
199.11224	6.0
203.14465	4.7
203.18001	9.5
213.16402	14.7
215.17963	21.6
227.14304	5.8
227.17982	7.0
231.17487	17.7
233.19005	18.4
243.17622	4.3
245.19060	13.6
247.20450	5.4
249.18439	8.6
251.16457	14.9
257.19028	7.2
261.18466	5.9
263.20163	5.5
275.20129	22.9
279.15973	27.7
287.20175	6.6
291.19516	7.1
317.21136	6.3
336.94772	4.1
341.21155	21.9
359.22192	18.4
363.18036	32.9
377.23276	25.7
395.24435	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	395.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63060	0.5
53.03951	1.1
55.01871	1.6
55.05519	5.9
56.27295	0.5
56.92298	0.4
57.03446	2.5
57.07071	1.5
67.01835	0.4
67.05514	8.0
68.88960	0.4
68.99803	4.7
69.03001	0.4
69.03419	0.6
69.06717	0.7
69.07074	9.2
69.39230	3.4
70.32845	0.4
71.04994	1.9
78.75005	0.4
79.05503	4.3
81.03411	1.1
81.07066	11.7
83.04988	1.2
83.08625	9.8
85.02927	0.6
85.06528	1.1
87.00805	0.8
91.05482	2.0
93.07056	7.9
95.04960	0.5
95.08613	5.8
97.02895	0.6
97.06546	3.7
97.10178	1.8
105.07039	1.1
107.08614	6.9
109.02886	1.3
109.10172	3.1
111.00814	9.3
111.04479	0.6
111.08089	2.7
112.85976	0.4
119.08587	0.6
121.10144	3.2
123.08087	0.5
123.11726	1.1
125.06027	0.6
127.03928	100.0
128.04283	0.6
131.08568	1.1
135.08089	0.5
135.11674	0.7
139.03896	3.1
147.11647	0.5
149.13277	7.1
153.01852	1.6
159.11720	1.0
163.14864	0.6
165.05539	0.7
167.14346	3.0
169.05019	0.9
173.13373	0.5
177.12790	0.9
191.14383	0.6
195.13922	0.8
209.15433	2.0
213.14915	1.6
231.15788	0.9
251.16486	3.9
255.70897	0.5
275.16348	1.1
279.15945	14.6
293.17474	7.4
303.15933	2.9
321.17001	45.2
322.17303	0.9
337.31790	0.5
395.20529	3.5
415.15533	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86005	0.4
53.03930	0.8
55.01860	1.7
55.05257	0.9
55.05510	10.3
57.03441	3.6
57.06858	0.4
57.07078	4.9
57.40016	0.6
65.03935	0.9
65.71559	0.4
66.25799	0.4
67.01856	1.8
67.05505	7.9
68.99792	8.7
69.03441	1.2
69.07072	13.7
70.70786	1.4
71.04994	0.9
71.08623	2.0
79.05495	4.3
81.03403	1.2
81.07061	9.6
82.07368	0.4
83.04973	3.2
83.08619	9.0
85.06547	1.0
85.10151	1.1
87.00842	0.7
91.05467	1.9
93.07051	8.4
95.04954	0.7
95.08610	8.0
97.02885	0.8
97.06541	5.5
97.10172	4.9
99.08133	0.5
105.07035	1.5
107.04997	1.2
107.08600	6.2
109.06494	0.8
109.10157	4.9
111.00031	1.0
111.00806	19.8
111.04446	3.9
111.07368	0.4
111.08064	2.8
111.11718	1.6
113.02403	0.7
117.07020	1.2
119.08580	1.2
121.06502	1.1
121.10155	5.8
123.08070	1.0
123.11705	2.2
125.05994	2.6
125.09644	1.1
126.03094	0.7
127.03913	8.3
131.08577	1.8
133.10117	1.9
135.08044	1.8
135.11711	4.9
136.93777	0.5
137.09615	1.3
139.03912	14.9
139.07542	2.1
139.11224	1.0
144.68977	0.5
145.10130	1.4
147.11688	0.6
149.05974	0.6
149.09618	2.3
149.13246	2.4
153.05478	1.1
153.09096	1.3
157.08621	0.6
159.11716	0.5
163.11197	1.2
167.07076	1.1
167.10666	1.6
167.14339	0.9
171.10234	1.0
173.13297	0.8
177.12816	1.0
181.08592	2.3
181.12225	1.5
181.16008	0.5
185.11772	0.8
191.17961	1.2
195.10173	3.6
195.13826	1.6
199.13335	0.8
201.16446	0.5
209.11708	5.2
209.15416	1.2
213.14926	0.7
215.17949	0.9
223.13318	5.8
233.19031	0.7
237.14859	5.4
251.14061	0.5
251.16414	1.9
251.20071	5.2
279.19510	5.0
293.21118	25.3
294.21222	0.6
303.19485	1.3
321.20612	100.0
322.21124	3.3
395.24271	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	394.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	6.0
55.01882	7.5
55.05521	7.2
57.03438	5.2
61.02930	6.1
67.05502	1.6
68.99780	2.0
69.03438	37.5
69.07076	43.7
69.07450	2.4
69.63673	6.3
71.05002	5.5
71.20033	1.0
73.02911	5.7
81.02984	1.6
81.03430	22.1
81.07046	1.1
85.02914	100.0
86.03246	1.5
87.00838	50.3
91.05454	1.2
93.07065	1.8
97.02908	40.4
99.04469	13.9
103.03934	1.3
105.01879	73.1
108.04467	2.7
109.02889	20.9
111.11728	5.6
115.03946	1.6
117.01836	2.4
120.08096	1.6
123.11688	0.9
126.05518	2.0
127.03928	70.0
129.01849	2.5
135.11519	1.0
145.04973	34.4
147.02823	1.9
159.02905	9.9
159.09198	4.1
166.08711	1.1
189.03941	3.0
201.10287	2.8
213.03963	2.5
229.09808	1.2
231.05025	21.2
249.06039	8.6
340.90097	1.1
381.86649	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.6
54.69331	3.0
55.01858	9.0
55.05503	12.0
57.03436	9.3
57.40448	3.0
61.02935	4.9
63.93369	3.2
67.05520	5.5
69.03440	38.2
69.07078	71.3
70.16948	6.9
70.17332	6.2
71.04975	6.6
72.50744	3.1
73.02920	7.0
81.03424	34.2
81.07069	8.4
83.04963	3.6
83.08608	6.2
85.02911	100.0
85.06528	4.6
87.00842	43.6
93.07043	6.1
94.83371	3.0
95.08595	3.8
97.02905	30.4
99.04456	9.2
105.01872	38.4
105.06994	5.3
107.08620	6.4
108.04406	3.2
109.02899	23.9
109.10146	6.7
109.45278	3.0
111.08095	23.6
111.11741	22.0
115.03855	4.5
119.04906	3.4
119.08565	5.2
123.11740	4.2
127.03930	51.4
127.11182	6.6
129.12740	12.7
134.09602	4.0
137.09624	3.7
139.07553	9.7
139.11189	3.7
141.12697	4.7
145.04974	21.7
147.04425	4.6
157.62349	3.8
159.02911	13.3
159.08125	3.6
161.09576	3.4
163.11263	4.0
169.12227	7.5
177.12790	3.8
179.10564	4.6
201.12810	8.6
206.13293	3.5
219.13795	13.8
230.06708	3.8
231.04897	7.8
237.14885	11.5
244.74028	3.2
249.06000	3.9
262.42291	3.2
263.76599	3.7
297.16940	4.1
312.74527	3.2
323.14941	18.4
341.15982	6.5
354.02286	3.2
359.79727	3.3
394.06409	7.2
394.31390	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	394.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.2
54.21925	1.4
55.01876	7.7
55.05510	6.0
56.23643	1.4
57.03435	5.5
61.02929	4.5
67.05501	1.9
68.99793	2.5
69.03433	31.2
69.07075	29.4
69.54358	1.4
69.92714	5.8
69.93128	2.2
71.05003	4.5
73.02919	6.6
76.86866	1.4
81.03426	24.7
81.07068	2.9
81.28841	1.3
82.50127	1.3
85.02908	100.0
87.00834	43.3
91.03937	1.9
95.05003	1.8
97.02895	33.2
99.04470	13.1
104.55669	1.5
105.01873	75.8
105.07045	1.7
108.04469	4.6
109.02889	27.6
111.11731	3.9
115.03933	2.9
117.01875	2.6
127.03920	74.5
129.01868	5.0
145.04970	36.5
147.02913	2.6
159.02895	15.3
177.03961	1.5
189.03986	4.2
213.03883	2.4
231.05009	20.1
249.06012	8.5
394.06293	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	394.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.9
56.96562	18.7
57.03438	12.5
57.28261	3.4
61.02933	11.3
69.03436	15.9
71.04996	10.5
73.02912	7.4
81.03429	11.4
81.04613	3.9
84.96037	4.6
85.02913	28.0
89.03933	20.8
89.61753	4.2
91.05484	9.2
94.62120	4.1
95.04954	3.9
97.02900	21.8
98.01393	5.9
98.97602	22.1
99.04452	6.0
101.00869	13.8
102.00996	6.0
103.02450	6.3
105.02139	6.0
107.04964	5.0
109.02881	9.8
110.01400	21.5
110.51488	4.7
112.33198	4.4
113.00852	3.7
115.02428	5.3
116.01411	12.1
116.51544	4.7
116.98643	10.1
117.02174	5.3
117.03390	11.5
119.01937	47.7
119.04919	22.3
120.01985	7.4
121.01679	6.1
122.01414	8.9
123.02216	5.2
124.02975	14.0
125.01932	10.7
126.02783	3.6
127.02445	6.7
127.03925	9.7
128.98654	6.5
129.00305	5.5
129.02177	9.2
130.01123	4.8
130.02928	7.1
131.01903	35.2
133.03468	13.4
133.06488	15.5
134.01315	5.2
134.99788	5.4
135.02182	3.8
135.03531	3.6
135.04425	27.7
136.02936	5.9
137.01898	19.9
137.51953	4.6
138.02693	21.8
140.02484	7.7
142.01155	6.9
143.01913	30.7
143.51999	5.3
144.00896	15.5
144.02682	7.8
145.01686	8.0
145.02826	14.7
145.03676	5.3
146.06290	4.0
146.99635	10.5
147.03297	6.2
147.04411	54.3
148.04872	5.5
150.00894	9.7
150.02751	11.2
151.01674	10.1
152.02489	9.8
153.01437	35.4
153.51509	9.9
154.02277	5.0
155.01984	10.0
156.02641	9.2
156.03757	9.1
157.01726	7.5
157.03546	8.1
158.02444	9.7
158.03625	7.3
159.01419	12.8
159.03235	16.7
160.02219	10.4
160.05171	5.4
161.03035	6.5
161.05977	6.6
162.03065	4.7
163.03889	100.0
164.02467	5.5
164.04289	8.6
165.01411	30.9
165.51512	6.8
168.03754	92.9
168.53871	24.1
171.01450	24.1
171.05049	7.9
172.02303	6.8
173.02985	6.4
174.01918	14.5
174.03737	14.4
174.99142	4.5
175.04500	20.5
176.04680	8.3
177.00999	7.3
177.04338	18.9
177.54391	7.9
178.02403	5.8
180.01967	16.7
180.03783	39.0
180.52150	6.5
180.53888	12.5
181.02713	4.9
182.03441	5.6
183.04305	8.5
184.02171	6.5
185.03009	6.9
186.01910	34.0
186.03737	13.1
186.52025	8.5
187.00909	4.8
187.02766	6.6
187.04512	5.7
188.00993	6.8
189.00859	7.4
189.04277	37.5
189.54500	7.3
191.04135	8.1
192.01979	5.6
192.03951	4.6
195.02484	24.8
195.04350	20.3
195.52531	6.5
195.54303	4.5
196.03201	4.4
199.04610	8.4
200.04753	9.4
201.02472	10.3
201.04347	10.5
202.03160	23.8
202.53433	5.3
203.04002	10.4
205.03697	7.3
206.53400	5.9
207.02419	17.6
210.04843	45.0
210.54910	10.9
211.03734	38.0
211.53845	9.8
213.53882	5.0
215.04117	4.6
216.02980	44.4
216.53223	11.4
217.03734	6.4
217.05630	5.1
218.05916	4.5
219.01958	7.6
219.05331	44.0
219.55469	13.4
222.04918	4.8
223.03764	35.2
223.53897	9.7
225.03554	15.0
231.05385	32.2
231.53319	5.0
231.55423	13.2
232.04298	59.3
232.54532	24.4
235.06584	28.4
236.06836	39.0
237.03403	14.3
237.06366	16.9
238.06642	9.3
240.05879	10.1
240.56021	5.6
241.04854	51.0
241.51190	4.5
241.54980	16.8
243.55171	8.8
246.03970	6.8
253.04855	48.2
253.07645	13.4
253.54941	10.9
254.07913	16.4
255.01909	7.6
255.07530	7.9
256.07816	7.3
259.01199	5.5
260.05249	6.0
261.03226	6.6
261.06110	5.4
262.05328	9.9
265.05777	4.9
267.04779	7.7
277.07736	18.0
278.07935	58.7
279.07489	13.6
283.05829	8.2
293.05646	5.3
296.09268	5.1
302.00476	4.8
304.06024	8.0
304.11646	11.2
307.08893	6.5
308.09091	26.4
317.01996	6.6
326.09882	19.3
332.07462	7.2
334.03415	10.2
350.09653	22.1
370.00055	4.3
385.04523	6.5
394.11700	26.8
395.12109	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65816	2.6
50.83593	1.8
53.03938	6.0
54.47952	2.1
55.05511	19.7
56.30292	2.0
57.07085	11.1
59.04975	2.8
65.03934	3.7
67.05177	2.2
67.05513	32.9
69.07081	15.1
69.59103	14.9
71.04991	3.2
71.08639	3.0
77.03910	2.5
79.05502	42.6
80.06269	2.7
81.07066	59.4
83.04964	5.7
83.08611	8.9
85.06535	3.2
91.05488	50.5
93.07050	82.2
93.07629	4.5
94.07374	3.6
95.04981	53.6
95.08055	3.3
95.08617	51.2
96.05295	2.9
97.06528	8.9
98.21477	3.8
98.98469	3.7
103.05495	3.9
105.04552	3.5
105.07041	100.0
106.07378	8.6
107.08607	41.2
109.06515	17.7
109.10160	25.8
111.08051	3.7
115.05477	7.3
117.07033	27.9
118.07385	4.0
119.08587	93.8
120.08909	7.3
121.06499	19.8
121.10168	27.8
123.08069	8.0
123.11790	10.2
128.06241	9.0
129.07043	19.0
130.07761	5.1
131.08588	46.8
132.08960	4.5
133.06500	6.1
133.10147	49.2
134.10500	2.5
135.07977	5.3
135.11708	17.4
137.09595	4.5
139.11179	2.4
141.06995	7.7
142.07820	24.7
143.08597	37.4
144.09380	13.2
144.17503	2.2
145.10143	61.6
145.77203	2.0
146.07260	3.0
146.10503	12.9
147.08064	4.1
147.11673	21.9
149.09581	3.7
149.13251	4.2
153.07069	2.6
154.07774	4.1
155.01016	5.1
155.08566	15.5
156.09344	10.4
157.10139	50.5
158.10724	8.9
159.08058	5.9
159.11710	42.1
160.12180	4.0
161.09634	15.0
161.13268	7.9
163.11174	5.3
165.07074	3.7
167.08569	7.8
168.09210	2.3
169.10159	19.9
170.10838	4.6
171.07994	3.0
171.11707	28.0
172.12126	5.8
173.09645	6.1
173.13269	23.9
174.13628	4.2
175.11156	6.9
175.14815	14.1
179.08540	6.5
180.09293	4.3
181.10124	11.9
182.10799	7.2
183.11702	17.3
184.12437	2.4
185.13200	12.5
187.11232	12.6
187.14787	9.4
189.16464	2.3
193.10115	6.2
194.10895	6.1
195.11646	11.5
196.12357	5.0
197.13245	17.2
198.13681	2.5
199.14824	5.5
201.12788	3.8
201.16457	5.7
206.10873	2.9
207.11670	6.7
208.12386	4.6
209.13242	11.5
210.13789	4.3
211.11185	2.4
211.14827	8.7
213.16312	4.0
221.13231	5.0
222.13811	3.4
223.14862	8.5
225.16386	6.5
235.14864	5.7
237.16376	4.0
239.14262	3.1
239.17920	3.3
241.16064	2.5
251.18016	2.6
253.15886	4.4
253.19510	3.1
255.17241	3.8
259.20596	2.9
263.17831	3.1
265.19437	3.0
279.21179	3.5
302.02045	2.2
314.22009	2.3
324.30661	2.5
375.26907	4.7
378.17725	2.9
393.20547	11.8
393.27982	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	393.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05025	1.9
70.06577	0.4
70.81223	1.0
85.02921	0.4
88.56758	0.4
91.53305	0.4
117.96571	0.4
124.05114	0.5
130.04976	0.7
135.30292	0.4
140.03416	0.7
149.04620	1.0
161.08243	0.4
166.07306	0.7
172.06059	0.7
189.06447	0.7
201.06433	2.3
202.07269	1.6
203.07947	1.5
204.08835	6.6
215.08058	1.4
216.08818	100.0
217.09450	3.7
218.10352	5.1
225.06479	10.7
226.07213	3.2
227.08009	1.0
228.08813	1.1
229.09561	1.1
230.10374	11.1
240.08812	54.1
241.09537	2.1
242.10423	0.5
246.09889	6.6
252.38443	0.4
255.10139	0.5
258.09998	2.4
268.08289	4.2
272.11453	3.6
283.09372	1.2
300.10934	49.9
301.11230	1.6
311.09003	0.4
315.12076	0.9
333.13055	2.7
343.11655	2.1
361.12555	5.0
375.14175	4.5
393.15167	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	393.191
Annotation	Clementein C
Peak:m/z	Relative Intensity
53.15143	2.9
55.01868	4.3
55.05515	9.9
67.01886	2.4
67.05499	16.3
68.99788	10.4
69.07059	9.6
71.18022	3.5
79.05495	8.5
81.03425	4.4
81.06624	4.0
81.07063	29.8
83.04977	4.3
83.08617	3.9
83.99653	2.7
85.02922	2.3
85.97929	2.3
86.73634	2.2
91.05497	8.7
92.34906	2.6
93.07049	9.5
95.04961	6.7
95.08608	24.5
97.02895	2.7
97.06532	10.6
105.07034	7.6
107.08595	10.4
109.06564	2.7
109.10162	8.1
111.00807	19.6
111.04475	8.2
111.08076	3.2
117.07049	2.7
119.08603	9.5
120.90971	2.3
121.10156	6.2
123.04454	4.1
123.08084	6.2
127.03929	7.2
129.07062	2.6
131.08527	2.7
133.10115	7.3
135.11736	7.0
137.05994	3.0
137.09666	5.5
139.03906	74.5
141.05472	3.0
143.08507	3.8
145.10173	4.4
147.08075	5.2
147.11700	9.5
149.02339	5.3
149.13319	4.9
151.07545	2.6
157.10179	2.6
159.11786	3.5
161.13306	7.4
165.08980	2.5
167.07072	2.5
167.10719	3.1
175.14893	3.4
180.08542	2.3
185.13185	3.5
189.12833	3.7
193.05075	2.5
203.14284	3.8
221.15390	7.5
249.14899	5.4
256.07498	2.5
261.15536	2.4
263.16412	18.3
291.15918	22.1
307.19034	3.9
333.16940	20.8
375.18045	100.0
376.18481	3.0
393.19180	23.0
393.31287	4.4
394.25964	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	392.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23376	1.1
52.63598	0.9
55.01863	2.2
55.05505	1.5
56.05035	1.3
56.74139	1.0
57.03440	16.8
58.06350	1.0
58.99590	8.6
64.40595	0.9
69.91451	1.5
69.91864	4.2
76.02234	45.6
76.03992	1.5
83.06098	3.5
84.04036	1.9
84.04510	26.4
84.08146	4.6
85.01132	1.7
85.06550	22.0
86.99061	2.5
87.02676	2.6
88.02217	2.6
89.00618	2.3
98.21393	1.7
99.02680	4.5
99.05544	1.5
108.08095	1.2
112.03949	2.0
116.01690	13.1
117.03725	100.0
118.30023	1.2
125.04261	3.5
129.06616	4.6
130.05020	13.8
142.03238	2.8
142.06856	5.7
142.08630	1.0
143.05249	5.4
144.01176	6.0
147.84451	1.0
160.07928	20.8
162.02231	27.9
179.04863	19.7
187.05351	2.1
213.89333	1.1
233.05965	4.7
245.09572	81.9
246.07800	5.3
263.10666	5.3
299.10562	2.2
317.11652	14.8
329.41080	1.1
387.10532	1.1
391.48154	1.2
392.14954	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	391.2327
Annotation	Sammangaoside B
Peak:m/z	Relative Intensity
55.05497	9.4
67.05498	12.8
69.03425	8.0
71.05001	7.8
71.35927	6.7
81.07027	6.9
85.02892	11.7
91.05460	8.0
93.07042	23.6
95.08599	21.4
99.08087	7.4
105.07063	12.1
107.08635	29.7
107.11082	5.7
109.06534	6.7
109.10155	43.8
110.37440	5.6
110.95721	6.2
119.08614	31.3
121.10145	12.1
123.11732	8.7
125.47562	5.3
128.23230	5.3
133.10141	100.0
135.11708	65.7
137.09604	10.9
149.02339	18.9
151.14879	7.6
165.16438	8.2
175.14816	58.3
193.15891	80.5
211.16907	17.2
229.18016	64.3
265.45575	5.7
337.30048	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	391.2326
Annotation	Sedumoside D
Peak:m/z	Relative Intensity
69.89427	25.9
69.89824	19.0
81.07058	16.4
85.02900	22.0
93.07041	18.9
95.08588	30.7
97.02895	11.5
107.08580	32.1
109.10227	15.6
110.37931	10.2
110.67677	12.6
113.68259	11.2
119.04946	11.0
119.08591	19.8
123.64968	12.7
133.10106	51.6
135.11691	42.5
144.03696	11.4
147.04544	11.2
149.02344	100.0
175.14844	45.5
193.15857	50.7
211.16899	18.6
233.55522	13.0
348.91711	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	391.2479
Annotation	7beta-Hydroxy-corymbi-8(17),13E-dienolide
Peak:m/z	Relative Intensity
55.01868	0.8
55.05494	2.2
57.07068	1.3
63.95783	0.6
65.03931	1.4
67.05494	1.6
69.07055	2.8
69.63566	1.7
69.63991	2.7
71.08614	1.7
71.10902	0.7
79.05500	1.0
81.07053	2.8
81.72169	0.7
83.08624	1.6
91.05488	13.9
92.46347	0.8
93.07032	1.6
95.08589	1.2
97.06535	1.0
97.10178	1.5
98.98465	2.3
105.07059	1.7
107.08627	0.7
109.55624	0.6
117.07011	0.8
119.04945	27.4
119.08596	1.2
121.06528	0.8
121.10126	1.3
127.03843	0.6
143.08466	1.0
145.10190	0.7
147.04413	100.0
148.04776	1.3
149.02344	10.9
155.01042	3.3
165.05534	0.8
167.03433	1.0
237.22267	0.9
257.42404	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2118
Annotation	Pregomisin
Peak:m/z	Relative Intensity
53.20433	0.3
55.01852	1.3
55.05514	6.2
57.03423	0.7
57.07077	3.2
65.03923	0.6
67.01848	0.9
67.05176	0.3
67.05503	4.3
68.99792	4.8
69.03410	0.9
69.07071	10.7
69.07448	0.6
70.17120	1.2
71.04978	1.0
71.08611	1.3
71.89599	0.3
79.05499	3.5
81.03400	0.9
81.07059	7.0
83.04992	2.4
83.08623	6.4
85.02905	1.4
85.06519	0.6
85.10185	0.7
90.45020	0.3
91.05482	1.0
93.07040	5.8
95.04960	1.0
95.08047	0.5
95.08612	7.9
95.09221	0.4
97.02875	0.9
97.06536	3.8
97.10170	4.5
98.21414	0.4
99.08088	0.7
105.07015	1.2
107.04934	0.8
107.08604	4.4
109.06506	0.9
109.10157	4.3
111.00808	14.8
111.04452	3.7
111.08099	1.9
111.11696	1.2
113.02385	0.4
113.06023	0.4
117.06979	0.5
119.08577	1.4
120.34312	0.3
121.06477	0.7
121.10147	5.5
123.04401	0.6
123.08041	1.1
123.08868	0.3
123.11703	1.4
125.05995	2.0
125.09610	1.4
125.13326	0.4
126.03171	0.6
127.03918	9.3
127.05403	0.4
131.08565	0.9
133.10150	0.8
135.08073	1.7
135.11694	3.8
137.09619	1.0
137.13234	0.3
139.03906	31.2
139.07513	1.3
139.11157	1.1
144.08571	0.3
145.10146	1.4
147.11705	0.5
149.02396	0.7
149.05981	0.6
149.09604	1.2
149.13222	1.0
151.07521	0.7
151.11191	1.1
153.05484	1.1
153.09090	1.7
153.12689	0.7
157.08675	0.4
159.11652	1.0
159.38818	0.3
161.09659	0.3
161.13287	0.4
163.07501	0.3
163.11185	0.7
163.14789	0.4
165.01682	0.4
165.09088	0.3
167.06956	1.4
167.10686	1.5
171.10150	0.7
175.14848	0.7
177.12764	0.6
177.16373	1.3
181.08582	2.1
181.12227	1.3
185.11795	0.9
185.13322	0.4
186.64268	0.3
187.14870	1.0
191.17952	1.1
195.10187	3.5
195.13782	0.6
195.17467	0.6
197.13451	0.3
199.13333	0.4
201.16425	1.1
205.15901	0.3
209.11726	4.9
209.18974	0.4
219.17422	2.0
223.13309	5.4
223.16847	0.6
233.19026	0.6
237.14874	3.1
237.18491	4.9
255.19644	0.9
257.21094	0.8
261.18417	0.5
265.18024	2.8
279.19556	24.6
280.19916	0.7
289.18015	0.7
307.19040	44.6
308.19458	1.5
323.22162	5.2
347.22223	0.5
349.20105	9.0
373.20218	1.0
391.21146	100.0
392.21411	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1752
Annotation	Sphaerocephalin
Peak:m/z	Relative Intensity
55.01869	2.4
55.05513	6.6
57.03415	0.8
57.07045	1.9
57.82373	0.5
65.03898	0.5
67.01836	1.9
67.05504	5.4
68.99794	9.5
69.03412	0.8
69.07072	20.9
70.12276	1.8
70.12654	1.1
71.04955	1.3
71.08620	1.1
79.05486	4.5
81.03394	1.2
81.07063	8.0
83.04986	3.6
83.08628	6.7
84.78995	0.5
85.02902	0.7
85.06516	0.8
87.00823	0.6
89.20137	0.5
91.05449	1.7
93.07047	9.9
95.04941	1.6
95.08617	4.9
97.02896	1.2
97.05999	0.6
97.06535	6.9
97.10144	1.7
99.04443	0.8
105.06989	1.7
107.04931	1.4
107.08589	6.4
109.02798	0.8
109.06543	1.1
109.10178	3.6
111.00812	27.0
111.03807	0.5
111.04449	5.0
111.08087	4.0
113.02319	0.5
113.05975	0.5
117.06994	1.0
119.08527	1.3
121.02839	0.6
121.06486	1.5
121.10152	4.0
123.08074	0.7
123.11667	0.6
125.05981	3.2
125.09621	0.6
126.03139	0.9
127.03925	37.3
131.08533	1.9
133.10118	1.3
135.08028	2.8
135.11697	7.6
137.09587	1.2
139.03912	20.9
139.07530	2.1
145.10075	1.0
147.08043	0.5
149.02341	6.0
149.06039	1.0
149.09615	0.9
149.13277	7.9
151.11136	0.5
153.05432	0.8
153.09140	0.6
153.12733	1.8
156.86537	0.5
159.11656	2.2
163.07581	0.6
167.03403	0.7
167.07039	1.8
167.14296	1.2
173.13264	1.2
177.12766	4.7
179.85495	0.7
181.08595	1.5
191.14294	1.8
195.10211	0.9
195.12004	0.6
195.13828	9.9
201.12781	0.7
202.18199	0.5
213.14861	5.1
215.16597	0.5
219.13741	0.8
223.13297	2.3
237.14867	48.3
240.32063	0.5
265.14362	100.0
266.14648	1.8
281.17526	0.9
307.15381	2.5
331.35922	0.5
335.35092	0.6
349.16403	4.2
391.17545	23.7
392.17755	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.7
53.55812	5.4
55.01864	12.5
55.05500	11.9
57.03437	7.2
57.07080	6.2
61.02929	8.5
68.99809	5.6
69.03414	26.7
71.04989	41.0
71.08665	11.0
73.02916	10.1
81.03424	33.0
81.07052	14.2
83.04974	7.2
85.02906	71.8
85.06535	15.6
87.00822	25.6
95.04956	30.7
97.02880	22.7
97.10193	9.4
99.04440	8.9
105.01892	13.6
107.08606	59.4
109.02905	30.7
125.08131	6.1
125.09625	99.3
127.03924	29.1
135.11613	6.7
137.09639	15.2
141.09296	5.3
143.10670	100.0
145.04959	15.3
149.02371	17.9
154.13463	5.5
159.02896	15.9
167.10672	32.6
233.11835	8.2
398.04218	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	391.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	12.3
55.01874	7.8
55.05513	8.9
57.03463	6.3
57.07069	8.5
58.51437	4.8
61.02937	5.1
67.05509	8.6
67.74168	4.7
68.99817	4.9
69.03435	27.3
69.64335	30.5
69.78175	4.7
71.04994	28.8
73.02894	6.8
76.07391	5.0
79.05499	8.6
81.03432	29.1
81.07076	7.6
83.04968	16.5
83.08633	6.2
85.02915	51.1
85.06539	11.9
87.00841	29.5
91.05500	11.5
95.04984	31.0
95.08566	5.1
97.02915	22.8
97.10172	15.3
98.20744	9.7
99.04467	13.4
105.01881	15.2
105.07052	8.4
107.04930	6.0
107.08595	51.4
109.02881	26.1
119.08591	5.6
120.60355	5.0
125.09641	80.6
127.03930	35.6
128.71147	4.8
133.10133	5.3
137.09631	13.5
143.10689	100.0
145.04929	12.6
149.02374	45.2
149.16551	5.6
159.02916	11.1
163.07510	5.3
167.10681	29.8
185.31577	5.9
189.03944	6.0
191.10670	7.0
209.11757	8.7
231.04900	5.4
233.11754	9.5
321.60107	5.3
383.38364	5.1
391.22586	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	391.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	8.3
57.03439	2.3
58.99896	1.9
61.02932	4.2
69.03432	5.9
70.29410	3.3
70.29826	2.1
70.98124	1.5
73.02914	5.3
77.00926	1.3
81.03422	5.6
82.99878	1.1
85.02909	10.8
87.48402	1.4
88.99190	1.5
89.03922	1.5
91.03978	1.9
91.05473	1.3
95.04972	2.8
97.02883	6.0
98.97584	10.0
99.04482	1.2
100.00134	3.3
101.00889	13.1
102.57996	1.1
103.02468	3.2
105.00375	1.3
109.02898	2.5
113.00872	4.0
114.41481	1.0
115.02446	5.6
116.98628	3.9
117.04031	1.3
118.01183	6.2
119.01934	33.8
119.04939	3.0
121.02837	2.8
126.01643	2.5
127.02493	1.8
127.03951	3.7
128.98659	2.0
129.03972	1.5
131.01904	11.5
133.03490	19.0
134.99638	1.2
135.04387	2.2
137.03024	3.1
138.01663	2.2
139.02383	3.3
139.04256	2.1
141.03979	3.1
142.01123	13.0
142.96529	1.8
143.01933	6.8
144.02698	12.3
145.03505	7.5
147.01424	2.2
147.04330	7.3
148.04781	5.1
149.02968	2.0
151.04565	3.5
153.04002	1.6
155.01921	4.2
156.02715	13.9
157.03491	27.6
158.00613	2.0
158.99734	1.3
159.01393	3.4
159.05055	11.0
160.02225	10.4
161.03027	8.8
163.03934	4.9
165.00752	2.1
166.01146	3.0
167.01909	4.7
169.03497	5.0
170.95995	1.8
171.01416	4.2
171.05013	8.7
173.02977	3.4
174.99330	1.2
175.04526	14.7
179.00743	3.4
179.03993	1.5
181.03520	2.8
183.05093	1.6
184.02200	11.5
185.03017	10.1
187.04576	6.9
188.97122	3.4
189.00827	1.6
189.02457	3.3
189.04160	1.3
189.06114	2.6
190.98711	3.2
191.04063	2.0
193.00212	3.3
193.02267	2.6
197.02991	6.6
197.06638	1.2
199.04561	14.1
199.08185	1.5
201.06055	1.9
202.03239	1.4
202.98711	2.6
203.00496	1.8
203.04076	3.3
205.00294	2.0
205.03676	1.3
206.98309	1.5
207.05107	3.3
209.03114	1.4
210.07460	2.7
211.04581	3.7
212.01649	1.4
213.02417	1.4
213.06192	1.6
215.04111	5.3
217.05539	12.1
218.01283	1.5
219.01962	2.6
220.02199	2.5
220.06880	25.9
220.57010	4.8
221.01814	6.3
221.03267	1.9
221.05191	2.5
225.06128	2.2
225.09799	3.2
226.01758	3.7
227.04161	1.6
229.05345	1.4
229.07463	1.4
231.00218	6.5
232.96510	1.7
232.99686	2.8
235.04544	4.1
235.06644	100.0
236.06923	2.4
237.02690	1.5
237.06197	1.3
239.04135	2.3
239.96185	1.7
241.04057	3.6
245.05128	2.6
249.01305	3.5
251.04474	2.1
253.05554	3.4
253.07732	42.9
254.07903	2.2
257.05475	1.7
258.08170	2.0
261.08313	2.2
263.06158	3.5
269.05341	1.7
271.03253	1.5
272.99741	1.4
277.05273	1.4
277.07794	9.7
279.06955	1.9
279.09680	2.2
281.01828	3.1
281.05157	1.4
288.07715	1.4
289.01071	2.9
291.05688	7.2
292.06442	2.8
293.05466	1.9
295.08725	2.7
301.07901	2.5
301.11356	34.1
302.11447	1.3
303.09097	1.5
305.07126	2.3
307.01877	1.9
317.05756	9.6
317.10846	5.0
319.12375	7.0
327.09235	4.2
329.07150	20.2
329.10867	17.2
330.10965	2.1
331.01791	7.1
331.05347	2.5
345.10406	3.2
347.08176	10.8
347.11935	31.9
348.12170	1.7
349.02695	3.9
355.08856	8.1
361.06360	1.5
365.13037	2.7
367.02603	2.3
373.09909	20.4
374.10141	1.7
391.07077	54.5
391.10962	69.8
392.07037	1.8
392.11353	2.6
409.08115	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	390.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.3
55.01864	5.3
55.05505	3.5
57.03430	11.4
60.04529	15.2
61.02925	4.7
68.99805	5.3
69.03436	44.1
69.07074	78.8
69.69705	4.4
69.70106	8.6
70.06586	2.7
71.04990	6.2
71.08649	12.6
73.02924	3.6
76.83933	2.4
81.03426	48.3
83.08620	11.7
84.04504	7.6
85.02913	100.0
86.02436	9.0
87.00835	24.5
91.34613	2.6
94.27399	2.1
95.04984	4.0
96.05239	2.5
97.02895	25.7
97.06548	21.8
98.06069	2.6
98.21434	4.6
99.04438	13.8
103.03947	8.7
105.01884	14.5
107.08569	3.4
109.02888	54.1
109.03598	5.4
109.10175	2.7
110.02406	2.4
114.09171	8.9
124.03980	3.8
124.07584	12.6
126.05492	4.0
126.09143	6.7
127.03925	71.5
129.01828	3.7
133.10098	4.8
138.09143	6.6
142.08647	49.0
145.04945	6.8
152.10747	3.1
154.08609	7.4
159.02979	6.1
171.02899	5.4
172.09720	15.0
182.08139	4.3
184.09697	87.4
189.03918	17.9
208.09665	27.1
222.11362	5.6
228.10216	6.4
231.04988	5.8
250.10764	56.6
268.11691	2.6
286.12766	5.1
336.10434	3.7
372.13019	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	390.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	5.7
58.20191	1.8
67.05510	3.3
69.03414	3.3
69.07066	4.5
70.14526	1.7
70.85719	3.8
71.04993	3.9
73.33829	1.9
79.05488	6.7
80.69094	1.9
81.03423	2.2
81.07065	6.7
83.08616	2.1
85.02912	5.6
86.06920	1.6
91.05487	5.2
93.07040	10.5
95.04923	2.3
95.08605	9.0
97.02858	2.5
97.06551	3.2
100.11242	5.7
105.07028	8.5
107.08606	21.6
109.06441	2.2
109.10135	2.6
119.08582	31.7
121.10207	3.0
131.08534	3.5
133.10133	59.4
135.11702	56.4
137.09662	2.5
147.11674	5.6
157.49086	1.9
175.14835	100.0
182.15434	4.8
193.15900	52.5
210.14897	2.8
211.16937	36.6
228.10187	14.9
272.07565	2.3
320.11578	2.3
391.08185	2.8
394.18701	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64934	1.0
57.03428	1.0
61.02914	4.2
62.18915	1.0
69.03440	6.5
70.13006	4.4
70.76116	1.0
79.05466	1.1
81.03401	4.1
81.07068	1.7
84.08158	1.3
85.02911	22.7
91.03946	1.9
91.05479	5.1
95.04971	1.4
96.27660	1.0
97.02886	8.7
99.04442	1.4
100.60727	1.1
105.07050	1.4
107.04962	11.8
109.02882	2.3
119.04936	6.5
124.07575	4.4
127.03941	7.1
131.08527	1.3
137.05989	2.3
142.08638	1.9
143.03427	2.8
145.05000	8.0
147.04431	11.8
173.02632	1.0
178.04945	1.6
180.08582	1.8
183.08394	1.1
193.04970	100.0
194.05354	1.8
196.06024	1.7
211.06013	3.1
228.08731	2.8
229.07063	4.3
337.09119	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.3
55.01864	5.3
55.05505	3.5
57.03430	11.4
60.04529	15.2
61.02925	4.7
68.99805	5.3
69.03436	44.1
69.07074	78.8
69.69705	4.4
69.70106	8.6
70.06586	2.7
71.04990	6.2
71.08649	12.6
73.02924	3.6
76.83933	2.4
81.03426	48.3
83.08620	11.7
84.04504	7.6
85.02913	100.0
86.02436	9.0
87.00835	24.5
91.34613	2.6
94.27399	2.1
95.04984	4.0
96.05239	2.5
97.02895	25.7
97.06548	21.8
98.06069	2.6
98.21434	4.6
99.04438	13.8
103.03947	8.7
105.01884	14.5
107.08569	3.4
109.02888	54.1
109.03598	5.4
109.10175	2.7
110.02406	2.4
114.09171	8.9
124.03980	3.8
124.07584	12.6
126.05492	4.0
126.09143	6.7
127.03925	71.5
129.01828	3.7
133.10098	4.8
138.09143	6.6
142.08647	49.0
145.04945	6.8
152.10747	3.1
154.08609	7.4
159.02979	6.1
171.02899	5.4
172.09720	15.0
182.08139	4.3
184.09697	87.4
189.03918	17.9
208.09665	27.1
222.11362	5.6
228.10216	6.4
231.04988	5.8
250.10764	56.6
268.11691	2.6
286.12766	5.1
336.10434	3.7
372.13019	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	389.2169
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
55.57792	3.0
57.16465	3.2
67.05500	5.7
69.03447	5.9
71.01515	8.0
71.04991	4.5
71.39576	3.2
75.72738	3.2
81.07061	7.8
85.02922	16.1
85.06544	4.4
91.05490	5.1
93.07071	16.1
95.04977	79.0
95.08600	6.8
97.02896	4.5
97.06512	7.0
99.04458	29.2
99.08105	5.5
105.07029	8.4
107.08592	17.6
109.06591	4.2
109.10177	40.8
115.07596	5.7
117.18818	3.6
119.08602	4.8
121.10134	9.0
123.11715	15.2
127.07581	4.3
131.08580	6.8
133.10132	72.5
135.08002	4.4
139.11186	4.0
145.04999	3.8
149.13327	5.9
151.11198	17.6
153.09109	35.0
169.12248	14.0
173.13280	29.7
191.14299	42.6
209.15381	100.0
210.15823	4.5
223.00035	3.2
227.16374	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	389.2171
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
52.95542	5.0
55.05512	9.3
67.05499	7.6
69.03432	16.1
69.07058	7.4
70.63100	15.6
77.68869	5.4
79.05498	8.2
81.07017	7.0
85.02906	14.3
93.07045	8.6
95.04963	11.4
95.08630	9.7
97.10183	7.4
105.07077	5.7
107.08601	25.0
109.06494	7.8
109.10178	20.0
111.08092	6.0
120.91517	5.3
121.10194	9.0
123.11710	6.2
125.09637	48.9
133.10210	13.1
135.08115	10.4
149.09621	67.7
149.13280	12.2
151.11185	15.9
153.09096	17.3
163.14728	8.6
163.33501	5.4
173.13269	10.1
188.79332	7.3
191.14310	37.5
198.49565	6.5
209.15376	100.0
218.98473	6.2
225.61858	5.5
227.16521	8.3
303.79471	6.2
310.88571	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	390.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38027	0.8
54.86396	0.8
56.96561	12.9
65.45426	0.9
69.03410	2.8
69.78154	5.7
72.48592	0.8
74.97604	1.0
76.98439	0.8
84.08127	2.0
85.02916	3.0
91.05470	1.4
97.29948	0.9
98.20898	1.8
98.21412	1.1
98.97591	4.2
107.04967	1.3
112.07624	17.2
116.98611	3.3
117.03394	1.0
119.04955	1.8
123.04427	1.6
128.98589	1.9
134.99564	1.3
135.04346	1.7
146.99622	1.0
147.04430	5.3
156.03337	58.9
158.06609	3.6
158.99603	1.3
163.03897	4.1
165.05553	1.8
168.03333	13.2
174.04408	80.2
175.04654	1.2
176.07643	2.9
186.04404	100.0
187.04707	1.5
188.05969	1.0
188.07578	1.9
189.00667	2.1
192.05481	12.8
200.05893	1.6
204.05469	85.4
205.05750	1.3
208.05998	0.9
209.05957	1.2
212.07706	2.6
219.01797	2.4
222.06470	4.7
226.07048	1.3
227.07130	1.0
230.08749	1.2
237.02803	4.7
239.02237	6.2
244.04893	1.8
257.03381	3.4
262.06107	2.7
288.10846	2.0
307.25629	1.0
314.08801	3.9
315.03726	2.6
332.07867	66.4
350.09015	84.1
351.09525	2.1
364.10516	1.7
368.10104	2.0
373.10684	5.6
390.08429	8.9
408.09973	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0421
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96574	10.3
57.03410	1.0
60.57273	0.7
61.02923	1.2
69.03432	2.6
70.06574	0.7
70.68364	1.0
70.68715	1.7
70.98129	0.9
74.50248	0.7
79.05497	0.8
81.03416	2.2
84.00173	0.8
84.08158	4.7
84.96030	1.6
85.02917	5.4
89.03928	5.3
91.05477	4.1
97.02891	4.4
98.21105	1.1
98.97589	8.4
99.04390	0.8
101.00871	1.9
107.04972	1.0
109.02888	2.0
112.07705	0.8
115.02453	1.6
116.98617	5.8
117.03437	3.9
119.01928	7.9
119.04936	5.4
120.97921	0.8
121.01662	1.1
127.03898	2.2
128.98549	1.5
130.93298	0.8
131.01895	3.7
132.96547	1.1
133.03477	2.3
134.99730	3.5
135.04413	5.7
137.03011	1.5
139.03874	1.1
143.01965	2.0
145.02661	4.0
146.99646	1.1
147.04411	14.6
148.04773	1.6
148.94327	1.2
149.02960	1.0
153.00912	1.2
153.10289	1.0
155.01926	1.2
157.03474	3.0
158.99902	2.6
160.97829	1.2
161.02945	3.5
163.02557	1.3
163.03915	23.8
164.04211	2.2
164.98946	0.8
165.00652	1.1
167.02386	0.9
171.01367	2.4
172.94379	2.6
173.01453	1.3
173.02966	3.2
174.97629	1.7
175.04475	1.6
176.97528	5.0
177.00975	35.7
178.01080	1.4
178.98953	1.0
182.99904	3.3
183.01418	1.1
185.03004	1.6
186.96812	0.8
186.99236	3.5
187.00911	1.3
187.02705	1.6
187.04541	1.6
188.99234	1.1
189.00876	2.0
190.95453	4.1
190.98921	3.0
191.02505	15.3
191.03984	0.7
192.02574	0.9
192.98639	2.2
194.98483	5.1
195.01776	1.1
197.03015	1.2
200.02600	1.1
200.97540	0.8
201.00945	19.8
201.06148	1.1
203.02484	9.6
203.04114	1.3
205.00430	4.7
205.03650	1.5
207.00195	1.5
208.96516	1.7
208.99960	2.8
209.03021	1.1
209.06735	1.0
213.02481	2.7
215.02414	6.1
215.08379	1.0
216.98776	3.2
217.04027	2.0
217.98877	1.4
218.98798	12.1
219.02019	100.0
220.02124	4.4
221.02945	1.3
227.02361	2.0
229.00484	13.6
229.04076	2.5
231.01958	1.9
232.96497	5.3
233.03571	27.1
234.03670	1.9
234.99872	3.5
236.99432	8.3
237.02821	1.9
240.00012	0.8
241.00380	1.1
242.03674	3.1
243.02023	7.0
243.08000	8.0
244.02063	1.0
245.03514	3.7
247.01582	9.7
247.05243	1.6
248.96233	0.9
248.99301	3.1
250.97549	2.8
251.02345	1.1
256.04956	1.0
256.96356	1.4
257.03595	2.5
258.99854	3.0
259.01566	4.1
260.99631	2.6
261.03070	7.1
265.02438	2.4
265.99426	1.0
269.00061	4.1
269.03030	1.1
271.01642	2.0
273.03040	2.2
274.97610	2.5
275.00934	1.0
277.00583	4.1
277.02969	1.8
280.99997	2.0
284.99747	1.5
285.03046	2.8
286.97894	1.7
287.00995	6.5
289.02701	0.9
291.00198	1.1
291.03848	1.1
295.01334	2.3
298.97635	2.3
299.00970	28.2
299.06192	1.1
300.01324	1.3
301.02451	2.9
303.00894	1.2
303.09158	1.1
304.98651	2.1
305.02063	7.4
311.01105	2.0
313.02640	13.1
315.98654	1.0
316.98511	6.9
317.02090	11.4
319.03580	2.6
322.02466	1.4
323.03268	1.9
326.15381	2.6
328.98474	1.4
329.02054	17.8
329.05844	1.5
330.02066	1.0
331.03543	2.2
341.02002	2.7
342.98398	1.4
346.99442	4.1
347.03134	25.7
359.03137	8.1
360.99606	3.0
361.27948	3.1
365.00394	1.5
365.04263	4.7
375.02481	3.6
389.04224	10.0
389.18427	6.4
407.05200	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.0
55.01881	7.8
55.02105	1.5
57.03439	7.7
61.02919	5.6
61.38202	1.4
68.99789	3.2
69.03077	2.3
69.03436	38.4
70.59867	1.3
70.83277	3.9
71.04993	4.6
73.02928	6.9
74.37961	1.1
80.76495	1.4
81.03431	21.6
84.84215	1.4
85.02911	100.0
87.00838	39.1
91.03975	2.1
97.02905	30.9
99.04465	11.7
105.01876	71.5
105.07042	21.4
108.04513	3.2
109.02888	27.2
115.03881	1.8
117.01843	4.6
123.22888	1.3
126.05550	1.7
127.03927	73.8
129.01820	4.5
145.04973	38.9
147.02884	2.8
159.02910	15.3
189.03938	4.8
210.40176	1.2
213.03928	4.4
213.09218	1.9
231.05054	23.4
248.07677	2.4
249.06001	6.5
388.16382	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	388.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74303	6.4
55.05504	11.3
66.06091	7.0
67.05503	7.6
71.56849	9.2
79.05489	10.4
81.07055	19.3
83.04975	10.1
83.08634	6.2
91.05491	10.5
95.08603	19.7
95.87379	6.0
97.06506	8.0
105.07041	13.9
107.08574	17.6
109.06502	10.4
109.10163	9.9
109.47579	6.4
119.08560	25.0
121.10121	8.6
123.08070	8.9
125.05982	27.5
131.08563	18.1
132.95802	6.5
133.06554	6.9
133.10121	18.4
135.08098	7.5
143.08546	11.1
145.10187	10.1
147.08090	11.8
147.11682	7.8
149.09595	12.2
151.07565	11.2
157.10088	12.0
159.11778	7.0
161.09613	10.2
163.07625	14.6
165.05533	6.6
165.09180	6.0
173.09607	8.0
173.13313	9.9
175.07512	10.0
175.11182	9.0
177.09142	16.9
185.13234	17.7
193.08604	10.5
201.12744	13.8
203.14363	44.4
217.15918	10.5
218.13048	10.7
219.13802	55.1
231.13780	54.9
231.17355	7.3
245.15623	8.3
247.13235	41.4
249.14906	18.2
261.14877	16.9
263.16388	23.4
273.14740	11.1
281.17624	7.0
281.95929	6.6
289.14279	50.9
291.15878	100.0
307.15314	23.7
309.16830	29.4
317.15207	13.9
325.16489	13.9
334.07425	10.2
335.14832	9.8
346.19009	24.5
353.16071	14.6
388.20010	92.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.3
55.01867	5.1
57.03436	5.3
59.28738	2.0
61.02929	5.7
65.03947	6.3
67.05508	80.5
68.99793	5.3
69.03429	32.7
69.07059	9.6
69.63031	10.6
69.63440	5.1
70.06592	3.7
71.04996	3.6
73.02918	4.2
79.05521	2.4
81.03426	28.6
81.07058	3.1
85.02911	78.2
86.09747	3.0
87.00847	22.3
89.44000	2.2
93.64514	2.2
95.04977	100.0
96.08119	4.6
97.02897	21.3
99.04462	11.3
102.83060	2.1
103.03934	6.3
105.01888	10.5
105.03422	2.7
109.02886	35.5
112.07605	19.6
113.06070	3.3
122.06007	2.8
123.49426	2.2
124.07589	20.7
126.05564	2.4
127.03924	55.3
127.39319	2.3
129.01857	3.7
136.07555	4.0
140.07076	47.2
140.08090	4.3
145.04977	6.8
147.02843	2.4
150.09172	3.9
152.07054	11.1
154.08633	11.8
159.02919	3.8
170.08119	12.7
171.02917	6.1
178.08653	9.2
182.08134	87.5
189.03961	15.0
192.10280	5.7
206.08159	22.8
207.53757	3.1
220.09732	6.2
231.05063	5.9
236.09299	3.9
248.09216	49.3
256.75192	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	388.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38353	0.3
50.74650	0.4
51.02386	0.5
51.54504	0.3
53.03945	1.3
57.03445	0.4
61.02935	0.6
66.61744	0.3
69.03432	3.5
71.05001	0.5
71.47990	0.5
71.48328	0.4
73.02912	0.8
79.05503	4.4
81.03426	2.0
81.07040	0.4
85.02910	8.6
87.00836	4.3
91.05479	1.2
95.04967	1.7
97.02895	5.1
98.66251	0.3
99.04462	1.1
103.05479	2.8
105.01880	8.8
105.07038	100.0
106.07369	1.4
107.08553	0.4
108.04469	0.4
109.02866	1.8
109.10123	0.4
117.07001	0.5
119.04977	0.5
119.08556	1.9
121.10158	0.5
122.09678	1.2
126.56962	0.4
127.03933	7.4
129.05527	0.4
131.08586	1.5
133.10132	0.7
143.08617	1.1
145.04974	7.1
145.10152	1.0
147.04407	2.3
147.11705	1.5
158.10934	1.4
159.02919	1.2
163.75755	0.4
173.13263	5.2
191.14310	2.5
209.15439	0.5
213.09103	0.7
216.79099	0.4
231.05049	3.5
249.06091	2.1
389.56683	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.9
55.01869	4.3
57.03426	6.1
65.03932	3.9
67.05508	69.1
68.99799	5.2
69.03430	30.5
69.07059	6.7
69.91525	4.4
69.91942	6.4
70.06590	3.8
71.05012	3.3
73.02908	3.8
81.03423	31.0
84.04491	2.8
85.02907	70.8
86.09688	2.5
87.00833	22.1
95.04972	100.0
97.02885	22.6
98.06039	4.3
99.04458	8.8
103.03957	7.2
105.01868	11.3
107.04939	8.5
109.02882	33.6
109.33225	2.2
112.07581	18.8
113.06042	2.9
124.07598	18.8
126.92212	2.1
127.03929	55.0
136.07599	2.7
140.07071	45.1
141.05473	6.4
142.04979	2.0
145.04962	8.2
150.09100	2.5
152.07120	9.5
154.08617	6.2
159.02821	4.3
168.06525	2.6
170.08136	14.3
171.02913	4.8
178.08617	7.0
180.06581	2.9
182.08138	94.0
189.03951	14.3
192.10193	6.8
206.08128	29.1
210.07684	2.2
210.11331	2.9
220.09627	4.3
226.08640	5.2
231.04988	7.2
236.09180	2.8
248.06819	3.7
248.09210	49.4
266.10550	3.0
352.10110	2.6
370.11237	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	387.2531
Annotation	Atranone D
Peak:m/z	Relative Intensity
53.03935	6.3
55.01860	7.2
55.05513	18.1
57.03432	2.9
57.07075	2.8
65.03915	2.6
67.05176	1.7
67.05509	29.9
69.03437	7.5
69.07069	13.4
69.85597	5.1
69.86024	2.8
70.06589	7.1
71.04978	4.2
73.92306	1.3
79.05500	23.3
81.03421	19.6
81.06642	2.1
81.07061	28.2
83.04969	6.2
83.08611	5.7
85.02891	2.9
85.06521	1.9
91.05485	35.3
93.07045	26.2
95.01327	2.1
95.04993	12.0
95.08617	20.4
97.02875	5.9
97.06516	4.5
97.10152	5.1
98.20714	1.8
103.05444	1.6
105.07033	28.0
107.04973	7.2
107.08603	14.9
109.02879	2.2
109.06506	4.3
109.10178	8.9
111.04425	6.3
111.08022	2.4
115.05441	4.1
115.08658	5.5
116.26723	1.2
117.07018	21.3
119.08590	25.3
121.06497	5.8
121.10149	11.3
123.04435	10.0
123.08052	2.9
123.11613	1.7
128.06236	8.3
129.07016	24.2
131.04933	2.7
131.08583	27.0
133.06476	6.6
133.10139	13.9
135.08038	4.0
135.11691	6.3
137.09650	2.4
139.11188	1.7
141.07001	9.5
142.07770	6.6
143.08557	19.5
145.06496	8.3
145.10139	20.6
147.04463	1.9
147.08028	6.9
147.11702	8.9
149.05965	3.8
149.09660	2.6
149.13269	2.1
151.07474	2.7
153.07018	2.1
154.07722	2.4
155.08560	10.8
157.06485	5.9
157.10121	13.7
159.08047	6.2
159.11713	16.7
161.05960	4.5
161.09647	5.4
161.13217	3.1
163.07549	1.9
163.11156	3.1
165.07048	2.6
167.08521	4.8
169.10147	10.1
171.08102	6.8
171.11679	11.6
173.05925	2.3
173.09637	5.6
173.13306	10.6
175.07532	4.7
175.11209	4.7
177.09291	1.6
179.08490	2.5
181.10141	5.3
182.10852	1.6
183.08105	3.6
183.11702	11.0
184.08876	1.8
185.09645	7.1
185.13255	10.8
186.10399	1.8
187.11148	2.8
187.14850	4.1
189.09163	2.8
189.12744	3.5
195.11700	5.8
197.09570	3.6
197.13229	7.3
199.11150	6.1
199.14836	7.2
201.09059	1.6
201.12744	5.2
203.10667	2.8
209.13243	5.1
211.11192	4.3
211.14763	2.3
213.12773	6.8
213.16319	2.8
215.14458	2.4
221.13330	2.2
223.14813	2.6
224.46416	1.6
225.12758	4.5
227.14330	2.9
243.13481	1.8
257.15509	2.2
271.20190	1.4
277.21637	3.1
283.20547	2.3
289.21692	5.2
297.22076	2.7
299.20200	1.7
299.23474	2.7
301.21686	2.2
303.23105	2.6
313.17773	1.4
313.21552	3.7
313.25055	1.7
315.23270	3.2
323.23611	4.2
327.23206	8.2
333.22192	2.6
341.24728	12.2
345.24652	1.6
351.23166	19.2
357.24512	2.3
359.25919	2.5
369.24255	73.5
370.24417	2.5
387.25293	100.0
388.25580	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	387.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.9
55.05523	16.1
55.05754	3.0
57.07071	7.7
67.05511	52.9
69.07082	23.4
70.05682	2.7
71.08651	6.4
71.57598	4.8
79.05508	21.8
81.03454	3.8
81.07067	49.4
83.08633	9.5
85.10230	3.8
91.05477	14.4
93.07054	24.0
95.05021	4.4
95.08617	48.0
97.06555	7.6
97.10156	3.0
105.07066	11.4
107.04980	6.8
107.08572	19.1
109.10172	23.0
111.04388	3.4
115.62930	2.8
117.07076	5.4
119.08606	11.7
121.10171	15.6
123.04433	15.4
123.08024	4.0
123.11737	9.9
125.06013	35.1
131.08589	8.7
133.10143	10.7
135.11732	9.6
137.06059	5.7
137.13206	3.0
139.07532	5.6
145.10127	12.1
147.08044	8.1
147.11696	6.0
149.09691	5.3
149.13280	6.3
155.07031	10.6
157.10124	3.6
159.08090	4.1
159.11671	6.6
161.13135	3.2
163.11134	4.9
165.09111	4.4
167.07043	25.0
173.09618	4.1
173.13293	4.8
175.11234	4.2
179.10669	3.4
181.04980	100.0
181.06522	6.5
187.11124	3.0
189.16423	8.4
191.07022	4.8
191.10677	4.7
193.08662	4.0
209.08038	3.4
215.17966	7.7
223.09921	3.7
233.19008	7.7
286.10855	3.1
359.32983	3.6
366.31140	3.5
369.24295	7.2
369.31573	5.7
387.25418	12.1
387.32620	67.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86814	0.6
53.03936	0.9
57.03429	1.2
58.06592	1.7
61.02913	2.1
68.05011	0.7
69.03432	4.8
71.04982	0.9
71.15995	1.3
73.02906	0.7
79.05482	1.2
81.03413	2.3
85.02427	1.1
85.02910	13.3
91.05479	2.6
97.02890	4.4
99.04442	0.7
103.05478	4.6
105.07035	15.4
107.04938	1.8
109.02878	1.4
118.06554	5.1
120.08107	12.9
127.03911	2.3
128.06209	2.1
130.06525	1.3
131.04921	1.4
131.07321	1.4
143.08568	2.2
145.04912	1.6
149.05994	0.7
160.11226	60.9
161.11588	0.9
178.12276	52.5
179.12602	1.3
206.11760	9.3
224.12822	100.0
225.13065	1.8
248.12755	0.8
300.78806	0.8
329.34329	0.7
350.15857	1.2
386.18109	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	387.253
Annotation	12alpha-Hydroxy-3-oxochola-4,6-dienoate
Peak:m/z	Relative Intensity
51.13739	0.8
51.55246	0.8
52.74337	0.9
53.03935	4.6
55.01882	6.6
55.05259	1.5
55.05513	17.9
57.03432	3.3
57.07071	2.6
65.03930	2.7
67.05508	27.6
68.99774	1.1
69.03438	7.0
69.07076	14.9
70.04385	3.3
71.01359	1.2
71.04990	2.8
71.08662	0.8
73.06577	1.1
75.09212	0.8
78.73829	0.8
79.05496	27.5
81.03418	16.8
81.07063	32.3
83.04997	7.3
83.08620	5.5
85.02901	3.8
85.06529	2.1
91.05486	34.4
93.07054	28.9
95.01333	2.9
95.04981	11.2
95.08046	1.5
95.08611	20.0
97.02880	6.3
97.06527	3.3
97.10173	3.7
98.21326	1.1
99.04478	2.2
99.08117	1.2
103.05528	1.7
105.02704	0.8
105.07034	30.2
107.04967	7.5
107.08598	16.8
109.02871	2.4
109.06533	4.5
109.10159	9.3
111.04447	7.1
111.08023	1.9
115.05461	3.6
117.07026	25.2
119.04937	1.3
119.08590	23.8
121.06511	6.0
121.10148	10.9
123.04433	10.3
123.08070	3.2
123.11689	2.0
125.05953	1.3
125.09646	1.9
127.03935	1.0
128.06223	9.1
129.07010	18.9
130.07811	2.2
131.04953	2.4
131.08572	26.3
131.09517	1.7
133.06480	6.8
133.10139	15.4
135.03084	0.9
135.04422	1.7
135.08070	3.9
135.11696	5.8
137.05971	2.3
137.09605	2.1
139.11238	1.2
141.06990	8.3
142.07816	5.3
143.08571	20.9
144.05678	1.0
144.09344	1.5
145.06483	10.2
145.10129	23.3
147.04445	1.2
147.08054	6.7
147.11691	8.9
149.06033	2.1
149.09621	3.6
149.13246	2.8
151.07578	2.1
153.07034	3.6
153.09047	1.5
154.07796	1.9
155.08569	11.4
156.09363	2.3
157.06531	5.8
157.10146	15.0
157.11417	0.7
158.07257	1.6
159.08084	7.1
159.11703	17.3
159.13010	1.1
161.05971	4.0
161.09627	6.4
161.13235	4.2
163.07491	1.6
163.11209	1.3
163.14859	1.4
165.06958	2.3
165.09117	1.7
166.07860	1.6
167.08546	6.8
168.09367	1.5
169.06526	2.3
169.10133	9.6
170.07187	1.5
170.10959	1.5
171.08067	7.0
171.11696	14.2
172.08797	1.2
173.06023	0.9
173.09639	5.4
173.13278	10.4
175.07516	4.2
175.11208	3.9
175.14859	1.8
177.09102	3.2
177.12752	1.7
178.07841	0.9
179.08574	2.9
181.10100	4.7
182.10887	1.1
183.08145	5.6
183.11697	8.7
184.08813	1.1
185.09607	6.7
185.13268	9.3
187.07532	3.1
187.11241	5.0
187.14835	4.3
188.08318	0.9
189.09143	2.8
189.12779	3.2
189.16422	1.0
191.10718	2.6
191.14336	1.0
193.10167	1.7
195.11726	5.5
197.09631	3.5
197.13287	6.7
198.10530	1.3
199.11256	5.2
199.14836	6.9
201.09056	2.5
201.12798	3.8
201.16368	1.7
203.10767	3.1
203.14220	1.6
205.12228	1.0
207.11740	1.6
209.13255	4.8
211.11246	5.2
211.14839	4.2
213.12729	5.3
213.16441	2.3
215.10793	1.2
215.14284	2.8
217.12279	2.3
219.13867	1.5
221.13287	1.8
223.14868	2.8
225.12732	4.3
227.14362	3.8
229.12265	1.6
229.15869	2.2
231.13916	2.1
237.16415	1.4
239.14317	2.9
241.15935	2.1
243.13901	2.2
245.15556	1.2
257.15314	1.0
259.20648	1.2
267.17328	1.1
271.16989	1.8
271.20511	2.0
273.22256	1.2
275.20126	1.9
277.21683	4.5
279.20862	1.1
283.20544	2.7
285.18661	1.7
285.22177	2.2
287.20096	1.7
289.21750	2.9
295.20596	1.5
297.22162	2.5
299.16595	1.4
299.20227	1.5
299.23721	2.5
301.18326	1.1
301.21683	3.2
303.23151	2.0
304.30371	0.8
309.21970	1.6
313.21606	3.4
313.25131	1.1
315.23199	3.4
317.21405	0.9
317.24802	1.0
323.23599	4.2
325.21698	1.4
327.23129	9.7
331.22583	1.1
333.22128	3.0
341.21039	0.8
341.24823	12.9
343.22733	1.5
345.24393	0.9
351.23224	16.8
351.27161	0.6
352.08356	1.0
359.25836	3.1
369.24265	72.5
370.24594	1.6
387.25314	100.0
388.25787	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.5
55.05517	11.6
56.16083	1.1
57.03452	1.6
57.07070	1.6
59.53897	1.2
67.05500	4.1
68.99798	7.1
69.07076	9.5
70.53212	3.3
79.05505	3.6
81.07076	7.5
83.05025	1.4
83.08626	7.5
89.21925	1.2
91.05492	1.8
93.07058	6.2
95.08621	7.0
97.06538	4.0
97.10175	5.3
107.04944	1.4
107.08592	5.7
109.10160	2.0
111.00816	14.6
111.04453	4.9
111.08119	1.9
121.06495	1.6
121.10132	6.4
123.08047	1.4
125.06011	2.0
125.09609	1.5
127.03909	6.7
135.08025	1.6
135.11725	4.0
139.03931	13.9
139.07547	1.6
139.11133	2.2
145.10115	1.5
163.14821	3.1
167.10713	1.6
168.20448	1.1
171.10165	1.5
173.13228	1.3
177.16382	2.8
181.08586	3.1
181.12178	1.6
185.11714	1.5
187.14822	1.8
195.10226	2.8
205.15906	1.4
209.11743	4.3
223.17036	6.4
238.80310	1.3
244.06694	1.2
265.17993	30.0
293.17480	100.0
294.17978	1.9
297.29404	1.2
367.21143	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	385.2225
Annotation	13,14-dihydro-15-oxo-20-carboxy-PGF2alpha
Peak:m/z	Relative Intensity
53.03939	3.5
55.01883	3.3
55.05518	18.4
57.03438	4.1
57.07062	2.4
59.05038	1.9
65.03938	4.0
65.23260	1.9
67.01869	4.9
67.05510	42.2
68.99795	21.8
69.03428	3.9
69.07076	17.3
69.35801	16.1
71.04997	3.9
71.08627	1.7
77.39542	1.7
79.05495	23.6
81.03436	5.6
81.07066	52.1
83.04997	4.7
83.08633	12.5
85.02927	4.0
85.06548	2.0
91.05480	13.3
93.07052	28.1
95.04975	16.6
95.08616	59.5
96.08968	1.8
97.02885	1.9
97.06537	9.2
97.10170	5.9
99.04470	2.7
99.08153	2.5
105.07047	12.7
107.04959	4.2
107.08601	19.5
109.06534	6.6
109.10170	28.1
111.00814	35.6
111.04455	6.2
111.08099	4.9
115.91392	1.8
117.07023	6.6
119.08573	11.6
121.06525	5.4
121.10169	22.4
122.54363	1.8
123.04507	2.3
123.08072	4.7
123.11724	5.9
125.05989	5.8
125.09657	4.4
127.03923	30.9
129.07031	3.1
131.08580	11.4
133.06566	4.0
133.10190	11.3
135.08073	5.0
135.11737	12.9
137.06009	2.5
137.09637	4.4
139.03912	25.5
139.07562	3.0
139.11234	3.0
143.08568	2.4
145.06540	3.4
145.10153	7.5
147.08047	4.4
147.11714	4.6
149.02344	10.6
149.09639	7.2
149.13284	3.8
151.07491	2.2
155.08591	2.0
157.10094	2.3
159.11726	5.5
161.09624	4.0
161.13232	2.2
163.11185	2.2
165.09145	3.1
169.10175	2.1
171.08092	2.0
173.13280	2.5
177.12839	3.1
177.16496	2.2
181.10077	2.3
185.13231	2.1
187.11224	4.5
189.09135	1.9
189.11194	2.7
193.04987	7.6
201.16412	4.5
209.11771	5.9
213.14934	1.7
213.18506	37.3
221.11703	1.9
223.13268	8.9
237.12750	2.5
237.14818	2.1
237.18558	2.5
241.17987	3.8
243.17314	2.2
261.18539	2.9
275.20108	7.9
279.19617	5.9
293.21198	6.4
297.20892	2.2
303.19489	13.9
321.20633	85.5
339.21692	100.0
340.22214	3.5
367.22287	6.9
385.09293	9.9
385.17386	2.3
385.23624	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	385.2221
Annotation	Perseanol
Peak:m/z	Relative Intensity
55.05505	16.4
60.69866	4.9
67.05507	13.7
68.99804	6.8
69.07063	14.0
69.23200	15.2
69.23626	28.8
76.02256	19.8
79.05482	8.6
81.07066	20.3
83.08620	5.9
93.07059	9.4
94.40684	3.7
95.08618	15.1
97.10187	5.3
107.08608	12.0
109.10166	8.1
111.00809	18.3
116.01666	4.6
126.56396	4.4
127.03911	7.6
133.10085	3.4
135.11682	5.2
137.39255	3.6
139.03923	13.5
179.04890	6.1
189.66412	4.2
223.16893	6.2
265.18045	24.9
271.02496	4.1
293.17456	100.0
295.79303	4.9
367.21225	25.5
385.23849	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	385.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.01866	1.9
61.02929	2.2
66.62515	1.4
66.79167	1.4
67.05483	1.9
69.03424	6.2
69.64878	7.3
81.03419	5.6
85.02911	17.6
87.00826	5.9
97.02882	6.7
99.04456	4.4
105.01868	4.0
107.04958	2.2
109.02869	6.3
114.83389	1.4
120.08092	2.2
120.47370	1.4
127.03916	9.9
134.22487	1.4
135.04379	2.5
137.05983	100.0
145.04976	5.7
154.55412	1.7
159.02902	3.7
163.03914	15.3
184.32782	1.4
221.44864	1.5
223.09720	8.3
231.04999	1.7
321.02518	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10578	4.9
51.17384	5.0
55.05496	9.3
57.32376	6.1
66.48250	6.1
67.05497	13.3
69.07057	13.7
71.37463	12.7
74.25571	5.8
79.05486	11.5
81.07050	37.3
83.04991	7.4
85.06544	6.3
91.05472	21.4
93.07059	23.0
94.21931	5.2
95.04952	8.9
95.08614	17.3
97.06543	9.3
103.05465	13.2
105.07026	32.6
107.04925	6.3
107.08620	18.0
109.06527	16.5
109.10158	11.3
117.06986	13.6
119.08592	28.9
121.06542	9.9
121.10127	16.2
123.08069	23.1
125.05997	88.3
131.08559	25.2
133.06499	15.2
133.10118	17.5
135.08037	9.9
142.07831	7.5
143.08572	11.8
145.10123	18.0
147.08046	20.1
147.11725	12.0
149.05991	16.8
149.09634	15.7
151.07552	18.5
151.11194	6.8
153.05461	9.4
156.26074	7.0
157.10123	18.9
159.08138	8.7
159.11693	12.2
161.09616	14.4
162.09244	7.2
163.07561	16.3
163.11238	15.9
165.05453	7.1
165.09073	29.0
169.10120	5.4
171.11714	11.5
173.13354	6.8
175.07549	16.5
175.11192	10.6
177.09122	24.4
187.14893	7.6
189.09171	10.6
189.12843	8.9
189.16426	6.1
191.06992	7.2
193.08623	19.2
197.13193	11.0
199.14784	13.0
201.12585	6.7
203.14223	6.4
207.10156	8.6
213.16423	7.0
215.14310	20.3
217.12267	21.5
217.15880	34.6
227.14380	6.9
231.17511	8.0
233.15353	40.0
241.16139	6.4
243.13800	13.9
245.15298	35.3
255.84050	5.5
257.15408	12.4
259.16891	24.5
261.14856	33.7
263.16446	22.3
269.15341	15.6
275.16370	18.5
277.18024	63.8
285.14917	15.3
287.16449	17.3
295.18918	27.2
303.15952	100.0
305.17520	69.4
321.16916	40.4
323.18454	8.6
339.18399	7.0
367.17120	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	384.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92119	1.9
53.03942	4.7
55.01862	5.5
57.03436	5.3
57.07078	2.8
58.90685	1.7
61.02925	8.2
65.96828	1.9
66.92385	1.9
67.05502	4.8
69.03429	38.0
69.82053	2.1
71.04984	5.8
71.56185	2.1
71.56577	2.5
73.02930	6.3
77.19588	2.4
81.03426	27.8
81.07056	6.7
84.08168	2.3
85.02914	91.9
87.00834	48.4
91.05476	2.3
97.02898	42.4
99.04462	14.0
105.01879	100.0
109.02883	31.1
123.11685	5.6
123.39172	1.9
127.03928	93.5
129.01811	3.2
129.05548	2.1
137.05949	4.8
141.12744	15.3
145.04976	32.4
147.02908	2.5
147.04378	2.0
151.17657	2.2
153.05472	11.2
159.02936	6.3
163.03920	5.8
171.06529	5.1
186.09227	2.4
187.13281	7.5
213.03923	5.6
222.11295	6.2
231.05023	39.7
231.42934	2.0
238.05313	10.8
249.06105	21.9
275.07584	29.7
293.08643	15.7
311.09698	5.1
384.12601	4.5
384.16977	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.032
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30535	0.6
56.96566	4.8
61.32484	0.6
69.00616	0.5
69.98724	1.4
69.99118	1.3
71.95251	0.9
82.42244	0.5
98.97588	41.1
99.97899	0.8
100.97162	1.0
101.00861	1.0
116.98627	30.8
118.99125	0.7
119.01929	6.2
134.99672	15.3
135.99939	0.8
137.02972	1.9
140.00220	0.6
153.00717	1.3
158.99921	0.9
177.00960	15.2
178.01094	1.0
182.99940	0.9
201.00922	1.3
208.76985	0.6
217.04062	3.1
219.02023	22.0
220.02151	1.8
225.01030	2.5
234.99898	2.1
236.99791	1.8
240.98663	1.1
242.98409	1.3
243.02036	7.7
258.99823	16.6
259.99945	3.0
260.99713	15.0
261.03067	100.0
262.03226	7.2
275.04547	1.3
277.00873	20.1
278.00940	4.7
279.00650	19.2
281.50409	0.6
283.00003	3.0
284.00122	1.3
284.04718	2.9
284.99731	2.8
287.18253	0.6
293.02139	0.7
300.02353	0.8
301.01086	4.4
302.01434	1.3
303.00851	4.9
343.02060	1.7
360.99854	1.3
367.02264	1.9
385.03271	14.3
386.03159	1.8
403.00058	2.7
403.04834	16.8
404.04532	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56469	0.3
57.03426	0.5
61.02926	0.8
69.03426	2.1
69.93909	0.7
69.94325	0.9
81.03403	1.0
83.48637	0.3
85.02914	4.3
87.00835	0.4
91.05457	0.4
97.02889	1.4
99.02682	0.6
99.04453	0.3
105.01857	0.8
109.02908	0.4
120.04441	2.8
121.06531	0.4
127.03914	1.4
138.72009	0.4
145.04955	1.0
147.04405	0.5
148.03937	22.5
163.03931	0.4
164.04146	0.4
176.03484	1.4
178.05873	0.4
184.23520	0.3
194.04501	59.7
195.04884	0.7
210.05962	0.5
222.03983	100.0
223.04315	1.4
238.05327	8.7
240.06979	0.4
262.07935	0.4
335.16061	0.3
366.11243	0.5
367.09360	0.4
384.09137	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	384.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.5
57.03425	0.3
68.90515	0.2
70.73417	0.9
81.11484	0.2
84.58725	0.3
85.04035	0.6
88.32579	0.3
97.01137	0.4
99.05588	0.5
112.03965	0.3
113.03532	0.3
117.05797	0.4
130.06528	0.3
132.08081	1.1
133.08881	0.4
134.09663	0.4
136.02194	0.5
137.06003	0.4
145.06093	0.5
146.06035	0.3
148.49269	0.3
151.04570	0.3
156.04790	0.9
160.07600	0.4
162.05548	0.9
162.09192	1.5
162.10274	0.3
164.04091	0.4
164.05322	4.5
165.05930	0.3
166.06844	0.5
176.07074	0.4
177.03281	0.7
177.07883	2.0
180.04755	0.6
182.02727	0.5
182.06331	1.4
185.08488	0.4
192.04768	0.6
193.05583	1.9
194.06435	0.8
205.07295	0.3
207.08942	0.7
208.09698	4.8
210.05852	7.2
218.06311	1.4
238.05345	100.0
239.05708	2.0
240.06911	11.2
246.05807	0.5
259.29092	0.3
263.08533	2.8
264.06918	0.8
281.09595	3.7
292.06421	0.8
366.11182	9.8
366.15555	0.6
367.09586	7.2
384.12323	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2583
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03938	5.9
55.01879	3.1
55.05520	15.1
57.03452	2.1
57.07080	14.4
57.17078	2.2
59.05001	7.8
65.03947	2.3
67.05508	29.8
69.03426	15.8
69.07072	7.5
69.07519	2.0
70.63453	6.1
71.04998	3.9
79.05499	33.6
81.03412	4.4
81.07064	36.1
82.81543	1.9
82.86106	2.0
83.04980	4.0
83.08611	3.6
85.06536	5.4
87.23470	2.1
91.05480	51.3
93.07050	100.0
95.04980	20.7
95.08616	39.6
97.06548	12.9
103.05490	4.1
105.07035	86.2
107.05017	2.8
107.08586	37.1
109.06521	22.2
109.10151	21.6
109.19377	2.4
111.08100	9.2
115.05479	4.9
117.07009	9.9
119.08585	49.0
120.09392	4.8
121.06528	16.2
121.10145	52.3
123.08062	31.3
128.06236	8.1
129.06985	12.9
130.07849	3.1
131.08568	29.1
133.06500	10.3
133.10138	30.6
135.08052	26.6
135.11722	7.4
135.14697	2.1
137.05963	2.6
137.09682	11.8
141.07060	4.9
142.07791	19.8
143.08572	25.8
144.09361	3.9
145.06526	4.1
145.10130	34.4
146.07256	2.6
147.08049	30.7
147.11696	15.8
148.08826	4.0
149.09619	33.1
150.10373	2.5
151.07561	38.4
153.09134	4.9
155.08583	8.4
156.09370	8.1
157.10149	44.8
159.08075	10.7
159.11714	17.6
160.08865	4.4
161.09644	19.7
161.13271	9.4
163.11224	10.3
165.09132	48.6
169.10164	6.7
170.10985	6.0
171.11679	7.7
173.09654	9.6
173.13257	7.7
175.11209	20.9
175.14850	7.1
177.09096	17.5
178.09877	3.7
179.08583	2.2
181.10139	4.3
181.83247	2.7
182.11000	2.4
183.11708	8.2
185.09653	2.7
185.13260	17.2
187.11174	6.9
187.14890	3.9
189.12720	12.9
191.14270	4.1
195.11731	4.1
197.13359	6.0
199.11134	3.4
199.14900	3.9
201.12769	14.8
202.12776	2.4
203.14308	31.0
207.11972	3.9
207.13722	12.5
209.13338	6.3
209.15367	5.4
211.11230	3.1
211.14696	2.8
213.12703	4.0
215.14343	8.7
216.15176	4.0
217.12363	2.7
219.13896	8.1
221.15373	83.1
227.14362	3.8
231.13870	4.0
233.15430	9.1
234.16173	22.7
243.13916	3.3
251.18372	2.3
264.18582	2.5
274.19174	2.1
276.87442	2.3
281.19006	6.1
286.19382	6.2
287.20068	6.4
299.20172	6.8
303.19492	10.5
347.23904	2.5
355.95905	2.3
365.24792	13.2
380.92499	2.5
383.25854	75.8
383.30505	4.7
384.26270	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	383.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.6
55.05524	16.6
57.03421	3.1
57.07075	10.3
59.04997	5.5
67.05504	30.6
69.03432	18.6
69.07064	12.3
71.04984	5.2
71.08308	5.5
71.08634	4.8
75.05862	3.4
79.05495	29.9
81.03416	5.7
81.07064	37.4
83.04977	6.8
85.06546	4.2
91.05495	47.7
93.07054	100.0
95.04990	33.4
95.08611	37.2
97.06538	11.2
105.04522	3.7
105.07043	74.9
105.07751	3.8
107.08605	42.4
109.06520	22.1
109.10158	19.7
111.08086	11.5
115.05435	4.5
116.06213	5.2
117.07017	14.6
119.08592	51.3
121.06505	13.0
121.10152	43.2
123.08101	29.8
128.06203	6.2
129.07002	11.8
130.07805	3.6
131.08562	30.0
133.06563	6.9
133.10149	25.5
135.08078	27.8
135.11711	6.6
137.06009	5.5
137.09645	11.0
142.07790	20.1
143.08539	17.5
144.09410	3.6
145.10104	32.5
146.07138	3.7
147.08060	22.1
147.11690	11.8
149.09653	30.2
151.07565	36.0
155.08476	7.7
156.09360	6.7
157.10159	33.1
159.08075	8.1
159.11708	15.3
161.09659	17.2
161.13301	9.5
163.11195	9.3
165.09126	46.8
169.10158	7.9
170.10974	8.3
171.11702	6.8
173.09669	10.4
173.13281	9.3
175.11206	17.1
175.14848	6.9
177.09111	14.6
178.09932	4.1
183.11723	5.7
185.13234	19.6
187.11240	7.4
189.12799	7.5
191.14322	3.3
197.13240	7.9
199.11282	4.2
199.14821	4.5
201.12784	8.8
203.14317	25.5
207.13820	14.5
209.13348	6.0
213.12843	4.6
215.14259	6.2
216.15179	3.5
219.13887	6.1
221.15381	73.2
231.13861	4.3
233.15334	8.2
234.16219	17.8
243.13879	3.9
281.19025	4.3
287.20111	4.9
299.20187	5.1
303.19772	6.5
309.18256	3.3
347.23782	8.1
365.24841	8.5
378.38843	3.5
383.25790	63.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2582
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
52.60662	4.1
53.03944	4.6
55.05507	19.4
55.39762	4.4
56.32652	4.5
57.07074	13.3
57.21833	4.8
59.04998	8.8
67.05505	54.0
69.03423	19.0
69.07052	16.7
71.04993	9.3
71.57220	7.2
79.05491	35.6
81.03432	6.0
81.07059	48.1
82.07423	4.9
83.04983	8.2
83.08605	14.2
91.05483	55.9
91.07737	4.8
93.07050	100.0
95.04967	28.7
95.08611	65.0
97.06529	13.3
97.10157	5.4
105.07030	93.2
106.07365	4.5
107.04959	6.9
107.08598	44.7
109.06507	22.0
109.10165	31.8
111.08070	8.4
115.05466	5.4
117.07018	13.1
119.08582	44.6
120.41083	5.5
121.06495	14.5
121.10169	49.5
122.60815	4.7
123.08076	24.3
124.93888	4.5
128.06230	9.1
129.07001	12.4
131.08583	35.3
133.06483	10.1
133.10103	31.4
135.08047	16.2
135.11737	7.0
136.78615	5.2
137.09628	11.2
142.07782	20.4
143.08554	27.6
144.09320	6.1
145.10126	38.9
147.08047	22.2
147.11678	12.5
149.09639	23.7
149.13248	5.5
151.07558	34.3
156.09372	8.2
157.10106	36.6
159.08096	9.2
159.11699	21.1
160.08839	5.5
161.09642	24.8
161.13228	12.1
163.11250	7.2
165.09122	34.0
169.10168	8.8
170.10938	7.5
171.11601	9.1
173.09689	9.3
173.13306	7.0
175.11226	23.3
175.14812	7.2
177.09145	8.4
181.12288	4.7
185.13286	16.1
187.11284	6.2
189.12775	6.7
189.71773	5.8
201.12749	7.9
203.14355	31.8
207.13881	12.3
209.13414	9.4
213.12851	6.4
215.14301	8.5
219.13927	7.4
221.15405	55.0
233.15378	10.4
234.16116	12.5
237.14818	5.4
299.20050	6.2
329.96234	4.9
365.24841	10.9
383.25815	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	383.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47390	4.7
55.01866	21.9
55.05496	24.0
57.03421	20.4
57.07059	11.9
58.55093	4.8
61.02915	13.4
62.28405	5.1
67.05504	39.6
69.03424	46.4
69.07065	30.1
69.65077	22.5
69.65479	9.3
70.80675	4.2
71.04995	46.9
71.80930	4.7
73.02895	16.5
73.20490	4.6
79.05488	44.6
81.03416	22.6
81.06585	5.8
81.07058	100.0
83.04971	16.1
83.08622	12.9
85.02917	46.5
85.06547	6.2
91.05487	42.2
93.07048	72.9
95.04959	21.7
95.08611	93.0
97.02879	32.1
97.06509	13.1
97.10185	11.0
98.20729	6.5
99.08105	6.1
103.03936	13.6
104.02962	5.0
105.07035	83.7
106.07343	4.9
106.80999	4.5
107.04950	8.4
107.08602	72.1
109.02895	6.3
109.06499	17.8
109.10159	61.3
111.04436	13.4
111.08045	13.7
115.03908	10.8
117.07008	17.0
119.07793	8.7
119.08583	88.8
121.06483	14.7
121.10133	64.5
123.04453	5.2
123.08037	24.0
123.11729	46.8
125.09637	14.1
127.03897	7.1
127.11192	27.8
129.07014	11.4
131.08554	36.4
131.43167	5.3
133.04956	16.8
133.06479	6.1
133.10123	58.5
135.08047	11.8
135.11679	38.3
137.06068	5.8
137.09636	25.8
137.13243	13.5
139.07574	6.0
139.11124	5.1
142.07787	7.1
143.08577	25.1
144.09332	7.9
145.06490	7.6
145.10138	47.9
147.08070	12.0
147.11673	60.9
149.09605	9.4
149.13254	25.9
151.11179	28.5
153.12740	15.3
155.08534	15.1
156.09288	7.7
157.10114	38.5
159.08026	13.2
159.11713	67.7
161.09663	9.3
161.13202	27.8
163.11182	12.3
163.14790	5.6
165.09134	8.3
169.10136	19.4
171.08060	6.0
171.11714	33.8
173.09579	7.0
173.13255	22.6
175.07544	8.1
175.11211	10.3
175.14868	9.6
177.12740	14.6
177.16306	7.9
183.11684	18.7
185.13284	15.1
187.11180	10.3
187.14775	11.7
189.12723	15.8
189.16389	13.6
191.10587	5.6
193.15823	9.0
195.11693	6.5
197.13318	9.1
199.14859	8.1
201.12772	12.0
201.16377	18.6
203.17928	26.6
207.11754	6.9
213.12778	7.7
213.16396	9.4
217.15860	5.4
219.17488	13.8
221.18997	14.4
227.17946	10.5
231.13974	6.6
231.17508	10.7
233.19086	26.2
241.15862	8.7
243.13986	8.5
243.17471	7.2
245.18904	8.9
259.17111	5.7
275.19879	5.8
287.20007	5.6
299.19992	5.4
311.19925	11.6
329.20993	23.8
347.22171	26.5
365.23184	17.6
383.24301	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2066
Annotation	Viguilenin
Peak:m/z	Relative Intensity
55.05520	6.3
57.03403	0.5
57.07065	0.7
64.95929	0.5
67.01868	0.7
67.05507	13.4
68.99807	2.3
69.07083	4.6
70.95068	0.5
71.04983	1.3
79.05501	2.1
81.03419	1.4
81.06579	0.7
81.07063	11.9
83.08624	7.5
84.08176	0.5
85.06551	1.4
87.00822	0.6
89.92308	0.4
91.05496	2.4
93.07056	3.2
95.04983	0.4
95.08614	23.0
97.06548	1.1
97.10184	4.4
99.04494	0.6
99.08067	0.6
105.07048	2.1
107.08588	1.7
109.02861	2.1
109.09453	0.8
109.10166	10.9
111.00804	2.2
111.08104	2.1
111.11739	0.6
115.07560	0.4
119.08601	3.2
121.10157	1.1
123.04375	0.5
123.08048	0.5
123.11707	1.3
125.09634	0.6
127.03925	100.0
128.04245	0.9
129.09138	0.8
131.08597	0.5
133.10161	2.8
135.11725	0.8
137.09589	1.2
141.80606	0.3
147.11691	1.8
149.13336	0.9
151.11041	0.7
151.14838	1.3
175.14841	8.4
193.15892	4.6
211.16965	1.7
229.18054	1.0
295.19125	1.0
333.00452	0.5
337.20111	32.0
338.20529	0.7
383.25488	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66793	4.8
53.03947	4.7
55.01883	7.0
55.05522	24.6
57.03436	14.5
57.07075	8.2
61.02927	6.7
67.05515	37.3
69.03432	45.6
69.07066	24.6
70.88439	5.9
70.88761	9.0
71.04999	43.6
73.02917	14.1
79.05488	34.1
81.03428	27.3
81.07061	100.0
83.04996	13.8
83.08637	7.4
85.02905	46.0
85.06540	8.5
87.04468	6.3
91.05472	39.4
93.07054	70.1
95.04974	19.5
95.08618	74.6
97.02884	22.8
97.06548	12.7
97.10194	9.9
99.04486	9.8
99.08098	9.0
103.03947	15.1
105.07043	79.2
107.04948	7.1
107.08606	69.8
109.02892	11.5
109.06524	20.4
109.10165	50.3
111.04428	10.3
111.08089	13.0
115.03939	9.4
117.07018	10.7
119.04961	12.8
119.08588	87.7
121.06558	11.4
121.10131	46.9
123.04431	17.3
123.08080	15.7
123.11729	32.4
125.06016	6.1
125.09640	12.2
127.03978	11.4
127.11220	19.7
128.06239	6.4
129.07066	6.1
130.06587	10.4
130.07773	5.0
131.08575	33.7
133.06479	7.8
133.10123	41.4
135.04350	10.2
135.08064	11.6
135.11700	32.8
137.06004	8.7
137.09650	15.5
137.13252	6.7
139.11177	10.2
142.07796	12.6
143.08568	18.5
144.08101	17.6
145.04955	5.7
145.10150	36.1
146.06056	11.9
147.04437	26.4
147.08031	6.2
147.11697	42.7
149.09662	7.0
149.13300	14.4
151.07510	9.3
151.11168	7.3
153.12804	7.1
157.07611	5.3
157.10114	32.9
158.06076	7.6
159.08040	7.6
159.09232	5.5
159.11688	50.9
161.13252	22.7
163.03917	20.2
163.11156	8.8
163.14813	5.9
165.09143	8.9
165.12730	5.5
169.10172	16.8
171.07988	6.3
171.11713	23.6
173.13316	16.6
175.08685	9.3
175.14871	14.9
177.12773	10.3
181.09982	9.8
183.11693	12.1
185.13269	16.8
187.09616	5.5
187.14876	11.7
188.07066	8.2
189.12718	9.7
189.16409	16.7
197.09593	6.5
197.13382	10.0
199.11320	5.5
199.14751	7.0
201.12764	16.5
201.16412	9.7
203.17982	22.0
213.16400	13.8
215.17984	8.1
219.17494	16.1
221.09329	12.4
221.19099	7.5
227.17909	8.9
231.17419	10.0
233.18971	11.6
235.20799	5.5
245.09221	9.6
245.19043	17.9
287.20117	6.7
329.21194	16.2
347.22046	14.0
365.11121	6.3
365.23236	25.6
383.12424	6.4
383.24805	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	383.2065
Annotation	Viguilenin
Peak:m/z	Relative Intensity
55.01865	1.4
57.03414	1.3
65.03937	1.3
65.86034	0.9
67.05500	2.4
67.87709	1.0
69.03425	1.7
70.06608	1.6
71.04977	1.5
71.55916	1.1
71.56358	1.2
74.02439	1.5
79.05497	2.8
81.03432	2.0
81.07056	4.6
83.04986	1.4
85.02894	3.1
91.05479	18.0
93.07060	5.7
95.04971	1.3
95.08614	3.0
97.02866	1.2
99.04476	1.2
105.07044	6.0
107.04961	1.1
107.08598	7.2
109.06507	3.1
109.10166	9.8
115.03971	0.9
117.07005	2.2
119.04945	32.1
119.08599	5.4
121.06510	1.3
121.10152	2.8
123.04441	1.5
124.22179	0.9
125.09605	1.5
128.04968	2.0
129.06973	1.0
130.06519	2.0
131.08578	3.8
133.06424	1.1
133.10138	2.7
135.05473	1.5
135.08037	3.3
137.05988	1.5
137.09599	2.5
143.08528	2.3
145.10147	3.4
145.87325	1.0
146.06020	69.7
147.04420	100.0
147.08105	1.8
147.11697	2.8
147.51488	1.0
148.04768	1.4
149.09644	3.2
151.07629	1.3
153.09111	6.9
155.07227	1.2
155.08536	1.6
157.07590	1.9
157.10089	1.4
158.06013	1.3
159.11682	2.3
161.09630	0.9
161.13300	1.0
163.03928	2.7
163.11165	2.1
165.05542	0.9
165.09131	6.6
166.05075	1.0
169.10114	2.5
171.11713	1.9
175.08775	1.3
185.09599	1.1
187.11095	1.0
201.06570	2.9
212.37547	1.1
215.14365	2.3
219.07614	2.7
221.04620	1.4
221.15474	1.2
237.08733	11.7
237.16347	2.0
239.17935	4.7
255.17409	3.3
257.19083	1.9
261.14923	4.3
265.16013	2.5
273.18399	2.5
283.16940	7.5
283.40317	1.0
301.17975	6.5
311.16428	6.0
319.19049	6.7
325.12570	43.0
329.17557	5.1
337.20029	7.7
347.18542	8.6
365.19666	12.9
383.16733	60.8
384.17075	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	383.2068
Annotation	Cinncassiol A
Peak:m/z	Relative Intensity
55.01872	5.0
55.05510	12.7
56.07117	3.9
59.61459	4.2
62.68117	4.0
67.05509	22.4
67.34639	4.6
68.99774	10.3
69.07073	23.5
71.18232	8.7
79.05489	17.3
81.07061	37.0
83.04986	8.5
83.08624	12.8
85.02904	6.5
91.05493	12.9
91.18817	4.1
93.07075	24.3
93.07548	4.2
95.05000	6.2
95.08626	24.0
97.06553	9.8
97.10185	8.6
105.07043	15.0
107.08611	21.2
109.02905	8.4
109.10165	17.6
111.00801	24.3
111.04477	14.3
117.06986	5.2
119.08611	19.5
121.10154	17.2
123.04438	5.0
127.03923	9.3
129.07086	4.0
131.08553	7.5
133.06429	4.8
133.10164	15.8
135.08070	7.0
135.11716	10.1
137.09685	4.2
139.03918	24.2
145.10124	8.6
147.11708	11.0
149.09695	5.4
153.09186	4.5
155.39267	4.1
157.10150	6.8
159.11749	6.2
161.13303	5.0
171.10194	5.9
171.11618	6.1
173.09676	5.1
189.16270	5.1
205.15921	7.2
209.11862	5.9
223.16891	9.5
251.40565	3.9
263.16422	7.4
265.17993	36.5
281.17581	13.8
293.17480	100.0
304.86899	4.7
304.90729	4.8
319.18930	8.0
329.17474	7.3
337.20163	57.2
347.18570	91.5
365.19672	9.9
382.95963	4.5
383.20544	11.0
383.25256	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	383.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
66.33316	0.4
69.31036	3.2
69.31444	0.7
85.02876	0.7
88.04013	0.8
91.05470	0.4
98.21113	2.1
105.06999	0.4
118.06535	0.8
119.04959	0.6
123.04456	1.3
130.06538	1.4
133.06493	1.5
141.38670	0.5
144.08125	1.0
145.02873	0.5
145.06531	0.4
147.04430	2.1
147.05492	0.5
151.03856	0.6
161.06029	0.6
162.05548	0.6
163.03897	2.4
166.84792	0.5
173.06033	0.6
175.03941	0.5
177.05568	0.7
186.05515	0.5
197.07083	0.6
203.08080	0.9
204.08127	1.5
206.09895	0.5
217.09689	0.5
218.09688	1.0
221.09294	0.7
222.03828	0.6
222.09103	0.8
222.48325	0.4
228.08223	1.2
230.09694	2.0
232.07626	5.8
233.08189	0.5
238.06500	0.7
243.07527	0.5
246.09138	2.1
248.07178	0.7
248.10733	0.5
249.07750	0.6
250.08730	2.0
252.07236	1.1
255.09077	0.7
256.07602	4.3
257.08270	0.6
258.09210	1.2
260.07245	2.0
262.08731	2.7
264.10324	0.9
266.05887	0.5
273.10345	0.9
274.08597	3.4
275.09445	0.5
276.06973	0.9
276.10229	7.5
277.07263	2.7
277.10110	0.8
278.08142	24.0
279.08481	0.6
284.07034	3.3
288.06741	2.6
290.08133	6.2
291.08835	0.9
292.09644	2.1
294.07675	0.6
301.09882	2.9
302.08136	48.4
303.08490	1.8
304.08774	0.7
312.06427	0.6
319.10794	18.4
320.11209	0.9
330.07718	0.7
337.11987	1.1
348.08789	1.1
365.11783	2.2
383.12445	100.0
384.12717	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.5
55.01881	1.3
67.05503	0.7
69.03426	2.2
70.90059	1.4
71.04987	1.8
72.48527	0.5
75.34627	0.5
79.05460	0.6
79.83120	0.5
81.02975	1.0
81.03427	15.3
81.07035	0.8
83.87469	0.5
87.00830	0.8
88.15319	0.6
95.08581	0.5
99.04443	2.1
102.66218	0.6
108.08108	0.6
117.03394	0.6
120.08110	0.6
127.04026	0.7
130.06479	0.9
132.06824	0.9
135.04411	1.2
135.09206	1.8
144.08073	0.5
145.02745	0.6
147.09181	53.5
148.06319	2.8
148.09505	1.0
158.06029	1.1
159.09212	1.2
161.07080	1.3
162.07896	4.5
163.03920	3.4
163.08681	36.8
164.09018	0.9
173.07175	0.6
175.08687	100.0
176.09032	1.6
185.07147	0.9
187.05946	0.8
187.08727	1.3
189.10249	2.3
199.08702	1.1
200.09366	1.0
201.10210	1.8
203.11928	3.2
205.09764	6.4
215.11790	4.4
219.11403	1.0
221.09351	2.7
243.11304	16.4
261.12372	13.3
261.53342	0.5
279.13431	23.3
280.11832	1.7
297.14545	6.5
303.13406	8.8
321.14661	2.7
329.11346	0.7
333.75064	0.6
341.54556	0.5
347.12408	18.6
347.16794	0.9
348.12845	1.2
365.13470	26.3
383.00305	0.6
383.14566	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09944	0.5
56.96576	0.7
57.03443	0.6
61.02940	0.9
69.03430	2.1
69.80099	2.9
76.44852	0.5
81.03415	1.5
85.02905	3.9
89.03936	0.6
94.06541	0.5
97.02892	1.7
98.21510	0.5
98.97581	1.0
101.00891	1.4
108.04638	0.5
109.02895	0.8
115.02441	0.5
119.01930	5.3
119.04877	0.7
121.02877	2.3
121.06454	0.6
121.17869	0.5
127.03895	0.7
130.06535	45.7
131.01897	1.5
131.06888	0.8
132.04453	4.2
133.26279	0.5
134.05988	0.9
135.04454	0.6
137.02921	0.8
143.01968	0.9
144.08070	0.6
145.03490	1.7
145.07707	0.6
146.06030	0.7
147.04424	2.1
148.07494	0.9
155.01939	1.0
157.07623	79.0
158.06029	10.9
158.08022	0.9
159.09186	1.3
161.02960	2.4
163.03943	2.1
173.02959	1.6
175.08679	12.3
176.07204	0.5
179.01888	0.9
185.02931	1.9
185.07108	4.4
186.05550	0.7
186.12520	0.5
187.04523	0.5
191.31206	0.5
197.02965	2.4
203.08163	100.0
204.06541	1.3
204.08482	2.1
215.04012	1.1
221.03099	2.9
221.04994	0.8
221.09218	9.3
232.07635	0.6
239.00395	1.0
239.03957	1.2
245.02948	0.7
245.05104	2.5
245.09073	0.6
263.03873	0.9
263.06244	0.8
263.10449	1.2
275.04004	1.2
276.10162	0.6
278.08078	1.1
281.04941	0.7
293.05087	0.7
302.08115	2.4
319.10663	1.0
323.06088	2.3
341.07019	1.2
348.04199	0.5
365.03119	1.0
365.07297	0.9
369.28568	0.5
383.08185	3.7
383.12241	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	383.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
56.96562	12.2
69.03427	10.9
70.32104	8.3
70.67587	2.3
71.04980	2.2
74.93751	2.1
76.90631	2.0
77.00916	2.8
81.03402	4.5
85.02900	9.8
89.03916	4.6
91.05445	3.2
97.02905	19.5
98.21402	3.5
98.28916	2.2
98.97591	69.1
101.00887	37.0
103.18491	2.3
109.02891	8.4
113.00857	7.6
115.02427	4.2
116.98628	50.0
117.03353	4.0
119.01933	100.0
119.04943	6.9
121.02882	44.7
121.06493	7.0
127.02409	5.7
127.03918	4.3
130.06529	4.5
131.01910	33.7
133.03465	8.7
134.06006	7.0
134.99690	19.6
135.04395	10.5
137.00792	2.5
137.02966	17.8
139.02405	3.8
142.03558	2.6
143.01907	17.4
145.03532	45.4
146.06026	3.0
147.01321	2.5
147.04402	17.5
149.02921	3.6
153.00780	2.6
155.01901	26.2
156.02693	3.8
157.03491	21.3
157.07642	9.5
158.06001	2.7
159.01447	4.3
160.07579	4.1
161.02972	56.1
162.05536	23.8
163.03821	33.1
164.04271	3.9
167.01865	6.0
169.03488	6.1
173.02986	30.6
175.04494	7.6
175.08684	3.7
175.59892	2.4
177.00778	2.5
179.01871	17.0
184.04716	2.4
185.01303	3.5
185.02940	27.8
186.05559	4.0
187.04515	11.8
189.00772	2.8
191.04176	3.1
193.03445	6.6
195.05083	9.3
197.02972	57.9
203.01962	7.7
203.04036	25.5
203.08142	10.7
204.06584	45.3
207.01476	3.6
209.02985	3.2
211.04501	5.4
213.02475	2.6
213.06033	3.8
215.04034	23.1
217.03618	3.0
219.01950	2.4
219.05003	3.0
221.02960	43.3
221.05086	30.7
221.06682	2.6
221.09261	9.7
222.05182	2.5
223.04643	4.3
227.03996	7.6
231.05113	3.8
232.00127	2.0
233.02988	2.6
235.04558	6.1
237.06053	5.3
239.04041	22.4
240.98755	2.8
245.02896	17.5
245.05089	69.2
247.04527	4.8
249.06175	4.6
251.03967	3.5
253.05605	4.6
257.05161	4.7
258.99792	47.4
260.00046	4.0
263.03763	11.5
263.06305	19.8
265.05582	7.4
269.03043	2.7
273.06180	4.4
274.97684	3.0
275.03964	20.6
275.97885	7.6
276.04117	2.5
277.00839	59.2
278.08160	4.0
281.05054	17.9
287.04184	2.8
293.05090	10.6
294.05737	4.7
295.06638	4.5
299.06006	2.7
301.00797	2.6
302.08191	10.3
305.05197	4.5
311.05984	2.9
316.98865	4.0
319.10873	3.3
321.08148	12.1
323.02390	1.4
323.06134	43.1
337.07590	4.9
341.07199	34.1
355.08649	8.1
359.08286	6.4
365.07153	8.4
377.97574	2.5
383.08179	73.7
383.12439	15.0
384.08411	3.1
401.09415	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	382.9988
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89484	0.5
56.96565	9.9
63.01662	0.5
63.35096	0.5
70.73322	0.6
70.73643	1.1
71.95274	2.1
85.78349	0.5
98.97589	100.0
100.45880	0.5
116.98629	70.0
134.99664	30.0
138.23628	0.6
140.00237	1.2
153.00731	3.7
158.01268	1.3
187.13380	0.5
216.98805	1.2
224.95789	0.5
234.99968	2.1
238.31232	0.6
240.98677	6.0
258.99789	72.4
260.00024	2.5
261.03174	1.3
273.01361	1.2
277.00839	98.1
278.01099	3.7
279.01324	0.8
282.01401	1.8
282.99979	4.0
284.00305	0.7
291.02438	1.6
292.91373	0.6
295.01913	1.1
298.97794	0.6
300.02448	3.3
301.01108	5.8
302.01050	1.2
303.00732	0.6
304.84772	0.5
316.99075	0.7
317.98822	0.8
359.00916	1.1
360.00012	1.2
383.00052	1.9
401.01117	9.6
402.01257	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48939	2.7
56.96568	11.4
57.35365	2.5
69.03422	9.6
70.08077	5.1
70.08493	7.9
81.03418	7.6
85.02912	18.2
97.02895	24.7
98.21407	4.2
98.97580	7.1
99.04450	2.5
101.00888	30.8
109.02905	7.5
111.04446	2.9
113.00875	4.8
115.02458	4.5
116.98614	4.5
119.01931	100.0
119.04927	6.3
119.71835	2.3
121.02880	68.3
121.06537	4.7
127.02422	4.8
127.03905	4.3
130.06551	6.1
131.00221	2.7
131.01929	29.0
131.04929	3.5
133.03500	7.2
133.06566	5.6
135.04419	5.6
137.00885	2.5
137.02943	18.0
143.01910	16.6
145.03502	37.3
147.04381	16.3
149.03003	4.2
155.01891	24.6
157.03452	22.7
157.07634	8.9
158.06039	3.7
159.01404	3.1
161.02963	63.7
161.38092	2.7
162.05460	3.2
163.04016	16.4
167.01913	4.5
169.03578	5.9
171.05058	2.9
173.02962	28.9
175.04489	8.1
177.05383	2.8
179.01889	20.3
185.02986	31.6
187.04512	13.6
191.03909	4.0
193.03503	4.7
194.00717	2.6
197.02969	71.9
198.46230	2.6
203.01982	7.8
203.04042	20.8
203.08177	15.5
204.06522	7.4
205.03531	3.2
205.05608	3.7
211.04588	3.3
215.04002	33.1
219.01620	3.0
221.02998	66.2
221.05087	11.8
221.09279	8.7
225.88281	2.4
227.04092	8.2
229.03477	2.5
232.07452	2.7
233.02942	6.7
233.05046	3.6
235.04530	7.2
237.02844	6.1
239.04103	29.1
245.02930	23.5
245.05119	60.4
247.04680	6.5
251.04045	3.4
253.05692	5.5
255.01794	4.1
257.05176	5.8
259.04492	4.2
263.03705	17.8
263.06473	17.4
265.05618	10.9
273.03021	2.7
275.03992	26.7
276.10318	3.6
278.08176	12.6
281.05075	17.7
283.06528	2.6
287.04062	3.9
293.05191	11.6
299.06155	5.5
302.08118	21.9
305.05182	6.8
319.10779	11.5
323.06165	52.2
323.09366	2.1
341.07202	44.7
355.08792	3.4
359.08295	5.4
365.07211	3.3
383.08185	80.9
383.12469	38.3
401.09769	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	382.171
Annotation	trans-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
56.38790	1.5
57.07058	4.2
59.04974	2.5
67.05521	2.9
67.09063	1.7
69.07068	3.4
70.02987	2.4
70.82014	3.9
70.82365	2.1
72.04511	8.8
73.02911	2.8
81.03396	2.1
85.02873	4.2
85.06546	4.0
85.67321	1.7
90.05562	59.1
95.04975	3.9
98.02424	7.9
99.08134	2.6
103.07579	1.9
113.05983	1.8
116.03453	10.5
124.07616	10.0
127.03903	2.1
142.08620	3.8
147.04420	1.9
163.03870	3.7
174.11284	2.9
184.09709	14.0
202.10756	25.6
212.95949	2.2
220.11821	100.0
253.39723	2.3
394.29257	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46235	4.1
53.03945	6.1
54.98365	3.2
55.05518	24.6
56.13066	3.3
57.03438	9.8
57.07075	14.0
67.05167	7.4
67.05509	100.0
69.07080	28.0
69.34839	25.5
69.35255	7.9
71.08636	4.2
79.05497	40.9
81.07064	98.1
83.08627	16.5
88.66206	3.4
91.05479	28.1
93.07058	62.9
95.04984	4.1
95.08614	93.4
97.06552	5.3
97.10168	9.4
105.07037	24.2
107.08614	35.1
109.10161	40.8
117.07019	9.0
119.08609	12.0
121.10172	28.6
123.11760	10.5
131.08603	24.9
132.41780	3.7
133.10152	16.1
135.08022	4.5
135.11708	16.2
145.10170	12.9
147.11780	5.8
149.13274	5.3
151.14899	7.3
159.11703	10.0
161.13304	10.1
163.14877	7.4
165.16429	6.8
173.13321	8.6
175.14900	8.5
177.16495	6.0
187.14778	6.9
189.16451	5.6
191.17978	10.7
201.16356	9.6
205.15825	6.2
205.19505	4.4
222.91223	4.1
234.84996	4.2
249.27213	4.1
250.31609	3.7
271.24197	22.8
289.25269	71.0
307.26147	4.9
357.95114	3.9
363.28790	8.8
378.12241	4.3
381.30051	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	382.1723
Annotation	O-beta-D-Glucosylzeatin
Peak:m/z	Relative Intensity
53.03921	0.9
55.01880	0.6
57.03430	1.6
59.08835	0.6
61.02916	1.6
67.05498	1.7
69.03437	9.2
69.47337	4.4
71.04973	0.8
73.02908	2.0
81.03405	3.6
85.02912	13.4
87.04459	1.9
91.03973	1.0
97.02884	6.1
98.21475	0.9
99.04453	2.2
99.08118	4.9
101.06036	0.6
109.02883	2.1
117.09142	0.9
119.03569	2.0
125.09641	1.7
127.03933	3.6
128.44179	0.6
133.06490	0.9
135.06660	0.8
136.06197	100.0
137.04584	2.1
139.11206	0.8
145.04976	2.3
147.04434	2.3
148.06203	4.2
158.07175	0.5
159.06657	3.0
167.10631	0.7
173.08223	1.1
175.09808	1.0
185.08260	12.4
185.11732	3.2
187.08522	0.7
202.10890	19.2
220.11948	67.7
382.09485	1.9
382.17221	29.6
386.33954	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36163	2.1
53.03933	6.6
54.12727	2.0
55.01859	4.7
55.05276	1.8
55.05516	27.5
57.03416	4.9
57.06821	2.2
57.07073	15.2
60.72940	2.0
61.83777	2.3
65.03934	4.5
67.05509	92.8
67.05876	4.7
69.03413	9.7
69.07072	27.2
70.76762	5.6
71.04993	5.0
71.08627	5.8
78.77390	2.0
79.05061	3.2
79.05499	48.3
81.03414	15.1
81.07060	100.0
83.04999	5.4
83.08627	18.7
85.02901	5.1
85.06541	5.6
85.10152	4.9
91.05482	38.5
93.07048	73.7
95.04976	8.5
95.08615	86.2
96.08968	2.5
97.02876	5.8
97.06513	4.4
97.10178	9.4
99.08100	3.9
105.07028	23.4
107.08602	42.7
109.02879	3.9
109.06499	3.6
109.10158	33.6
111.04451	5.5
111.08080	3.5
113.09644	2.6
117.07026	11.8
118.73541	2.2
119.08589	18.8
121.06462	4.3
121.10158	33.2
123.08104	2.7
123.11705	11.9
125.09645	3.0
127.03883	3.5
131.08583	28.7
133.10136	12.6
135.11694	20.9
137.09657	2.8
137.13260	5.6
145.10139	20.4
147.11673	8.4
149.09566	3.5
149.13287	12.2
151.14824	7.5
159.11676	12.0
161.13248	5.5
163.14842	8.2
173.13297	10.9
175.14836	7.7
177.12759	4.5
177.16454	14.2
187.14893	10.5
189.16321	4.7
191.14253	3.4
191.17952	11.1
201.16414	7.0
205.19519	4.5
215.18004	3.9
261.25836	2.8
271.24200	22.9
277.21625	4.2
289.21967	3.6
289.25262	67.7
295.22647	5.3
307.26434	3.2
327.22955	2.5
345.24252	11.7
352.56750	2.2
363.25235	8.7
363.29175	4.7
373.01730	2.6
381.26093	6.9
381.29953	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	381.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
53.73017	1.3
55.01868	1.8
55.05515	17.9
57.03418	3.6
57.07078	14.4
65.03925	3.7
67.05509	88.8
69.07067	20.0
69.31374	12.1
71.04984	2.2
71.08636	4.1
79.02650	1.5
79.05499	55.8
81.07061	97.1
82.31628	1.4
83.04979	3.2
83.08630	12.8
84.86906	1.3
85.06523	5.5
85.10162	3.3
91.05480	30.8
93.07053	73.1
94.06586	14.4
94.07150	1.9
95.04958	4.7
95.08614	80.2
96.08906	1.4
97.06515	6.1
97.10165	7.0
98.20695	2.2
99.08072	3.8
105.07034	27.7
106.71365	1.3
107.08601	48.0
109.06509	2.9
109.10155	30.2
111.08125	2.8
113.09663	4.5
117.07021	12.4
119.08590	18.8
119.09376	2.6
121.10146	40.0
123.08110	2.0
123.11720	13.6
125.09629	2.2
127.11172	2.4
131.08572	26.8
133.10155	11.3
135.11702	20.7
136.11221	2.9
137.09618	1.7
137.13239	5.8
145.10121	18.6
146.15779	1.2
147.11678	6.6
149.09665	2.6
149.13278	12.9
151.14807	5.3
157.10121	1.7
159.11703	12.5
161.13295	6.4
163.11214	1.7
163.14836	12.0
165.16412	3.3
173.13269	14.6
175.14848	9.2
177.12793	1.8
177.16403	15.1
179.17938	2.3
181.15895	2.2
187.14816	9.5
189.16338	7.7
191.17926	11.3
193.15871	2.3
201.16379	7.6
205.15851	1.5
205.19443	5.2
213.10201	7.0
215.17940	6.3
219.17429	3.3
229.19531	1.4
243.21304	1.5
255.14998	4.9
261.25827	5.7
271.24222	28.3
289.25275	100.0
290.25620	2.7
297.19626	4.7
307.26306	2.7
339.24411	7.2
345.27969	2.0
363.29022	8.8
381.22913	1.4
381.29974	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	381.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.8
53.13824	1.6
55.05510	14.2
57.03425	4.8
57.07072	5.6
59.52205	1.9
65.03950	2.8
67.05511	84.9
69.07072	13.6
69.86316	9.0
73.85203	1.7
79.05495	32.6
81.07063	100.0
83.08637	9.5
85.06561	3.4
91.05494	19.0
93.07056	41.9
95.04974	3.9
95.08612	84.2
97.06515	2.7
97.10184	5.0
101.07547	1.8
105.07043	11.7
107.08598	28.3
109.10165	35.5
111.11771	2.1
113.50372	1.8
116.31511	1.7
117.07027	8.4
119.08601	9.5
121.10148	23.0
123.11731	19.6
124.51723	1.8
125.09644	2.3
131.08557	13.1
133.10144	12.1
135.11697	17.8
137.13268	6.6
145.10149	9.7
147.11688	5.0
149.13237	13.3
151.14789	3.4
159.11682	10.1
161.13245	3.6
163.14835	6.3
173.13318	10.6
175.14803	3.5
177.16417	2.9
186.21512	1.9
187.14821	5.2
191.17946	3.5
201.16449	2.1
233.19162	2.3
242.95770	1.8
261.25830	3.5
271.24332	9.3
289.25272	79.0
290.25717	2.9
307.26318	4.5
363.28885	9.5
381.30008	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	381.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.0
55.01869	1.6
55.05515	16.4
57.03430	5.3
57.07077	12.0
57.53464	1.2
65.03933	3.7
66.60854	1.1
67.05508	96.4
69.07076	17.6
70.14748	5.1
71.04979	2.4
71.08624	3.5
73.06563	1.2
73.18982	1.2
75.04484	2.0
79.05499	49.2
79.05958	3.0
81.07062	100.0
83.04984	1.8
83.08627	14.1
85.06534	2.2
85.10196	2.4
91.05490	25.0
93.07054	59.8
95.04972	5.8
95.08613	91.7
96.37527	1.2
97.06509	5.5
97.10162	7.4
99.08103	4.2
105.07038	20.5
107.08601	43.1
109.06525	2.2
109.10162	38.7
111.08059	1.9
113.09644	3.2
117.07027	9.0
119.08595	16.6
121.09319	1.9
121.10154	29.8
123.08069	2.8
123.11703	12.9
127.11216	1.7
131.08572	28.5
133.10141	11.8
135.11713	18.8
135.63223	1.1
136.12027	1.2
137.09644	2.6
137.13255	7.0
139.11200	1.9
145.10127	18.1
147.11690	7.1
149.13261	11.5
151.11380	1.3
151.14841	6.4
152.15102	1.3
159.11707	10.4
161.13226	6.6
163.11200	2.1
163.14841	10.5
165.12753	1.6
165.16414	5.6
173.13286	11.5
175.14883	5.8
177.12726	2.7
177.16389	9.5
179.18015	2.5
181.15826	1.9
187.14841	10.1
189.16420	6.1
191.14334	2.2
191.17946	10.2
201.16431	6.2
205.15842	2.8
205.19574	5.2
207.17418	1.5
215.17924	5.2
219.17480	1.9
233.19072	1.6
247.20657	1.2
261.25735	4.3
271.24210	22.3
289.25275	73.4
290.25604	1.4
307.26218	4.2
363.28949	11.5
381.30023	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	381.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.8
55.01877	6.9
55.05512	10.1
57.03432	4.5
57.07086	5.4
65.54163	2.0
66.89417	2.2
67.05508	16.4
68.99792	8.3
69.03436	66.1
69.07070	17.0
71.04990	10.8
71.56351	3.0
75.56452	2.1
79.05503	15.0
81.03411	19.4
81.07062	35.3
83.04996	4.5
83.08613	8.0
84.08147	2.4
85.02908	15.8
85.06552	9.9
89.03931	7.2
91.05486	14.9
93.07045	36.1
95.04980	7.0
95.08618	41.3
97.02914	6.2
97.06540	6.6
97.10170	4.8
99.04473	7.1
99.08095	6.1
100.28642	2.0
103.05473	9.7
104.17844	2.2
105.07034	22.7
107.04958	11.0
107.08598	54.3
109.02899	7.2
109.06503	11.9
109.10162	27.7
111.04448	4.5
111.08086	6.2
115.05451	4.4
117.03384	8.1
117.07058	4.2
119.04974	3.5
119.08582	23.0
121.06528	5.7
121.10152	57.7
123.04427	14.4
123.08096	6.3
123.11729	7.0
125.09613	4.0
127.03929	25.8
127.07564	7.7
127.11216	5.3
129.07051	2.6
131.04910	13.8
131.08563	8.5
133.10147	50.7
135.04427	25.3
135.08066	3.9
135.11708	29.5
137.02371	2.5
137.06030	6.6
137.13280	19.4
141.06964	3.7
145.02847	15.4
145.04971	8.3
145.10118	10.9
147.04398	15.5
147.11693	16.4
149.05998	3.5
149.09656	4.0
149.13269	23.5
157.10098	4.5
159.04436	7.2
159.08084	4.3
159.11723	8.9
161.13271	7.5
163.03912	100.0
163.14771	4.2
165.05255	2.5
165.12802	10.4
167.14316	3.7
171.11700	6.0
173.13341	4.0
175.03925	7.3
175.11192	2.8
175.14876	19.1
177.05536	7.3
177.09210	5.0
177.12871	3.8
177.16393	62.8
183.11943	2.6
185.13229	3.2
187.06021	6.7
187.14806	3.0
193.15900	9.2
195.17542	7.7
197.06009	3.9
199.14784	3.7
201.16403	2.6
203.03395	32.0
205.04976	23.1
205.15837	3.4
217.04950	2.8
217.15820	5.9
221.04623	3.0
221.15598	3.1
221.82076	2.5
235.16977	10.2
243.06461	3.1
249.45891	2.3
253.17966	3.1
271.06003	2.9
275.17242	2.3
285.18524	4.3
289.08307	2.7
303.19574	8.0
321.20590	2.5
335.09534	2.8
345.20361	2.8
353.18655	3.2
363.21881	12.0
381.09802	68.4
381.18143	10.4
381.22803	14.1
382.09866	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	381.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
54.92262	0.3
55.01871	2.2
55.05513	12.3
57.03435	3.5
57.07072	4.2
65.03930	0.4
67.01869	1.9
67.05508	7.2
68.99438	0.6
68.99792	9.0
69.03413	1.4
69.07070	15.7
69.54079	2.1
71.04979	0.6
71.08646	1.7
77.05159	0.4
79.05492	5.6
81.03423	1.0
81.07056	8.0
83.04610	0.3
83.04988	3.4
83.08141	0.5
83.08619	8.7
85.02917	0.3
85.06535	0.4
85.10175	0.6
91.05464	1.3
93.06483	0.4
93.07049	6.9
95.04951	1.0
95.08055	0.5
95.08617	8.5
97.02888	1.5
97.06540	6.5
97.10162	5.5
99.21127	0.4
105.07025	1.4
107.04947	1.3
107.08599	6.0
109.06503	1.4
109.10159	4.5
111.00807	25.5
111.04440	5.9
111.08068	2.4
111.11719	1.5
113.06005	0.7
119.08575	1.5
121.06486	1.4
121.10146	6.7
123.04489	0.5
123.08067	1.2
123.11707	1.2
125.05203	0.4
125.06002	2.8
125.09602	1.8
126.03097	1.0
127.03925	8.9
131.08543	1.4
133.10097	1.1
135.08109	1.8
135.11697	5.6
137.09631	0.8
138.46349	0.4
139.03909	15.9
139.07544	1.6
139.11183	1.7
145.10115	1.6
147.11734	0.4
149.05920	0.6
149.09598	1.1
149.13231	1.8
153.05478	1.1
153.09125	1.9
153.12744	1.1
157.08607	0.8
159.11697	1.0
161.13130	0.5
163.11166	1.2
163.14734	0.5
165.09154	0.4
167.07051	1.3
167.10677	1.9
170.98935	0.4
171.10136	1.0
173.13284	0.7
175.14932	0.5
177.09103	0.4
177.12708	1.0
177.16409	1.7
181.08636	2.1
181.12224	1.7
185.11713	1.3
187.10983	0.4
187.14793	0.6
191.10629	0.3
191.17940	1.2
195.10179	4.1
195.13832	0.8
195.17509	0.6
196.77567	0.4
199.13310	1.1
201.16389	1.4
209.11737	5.3
209.18983	0.8
219.17493	1.3
223.13306	4.9
223.16820	0.4
233.18997	0.5
237.14909	2.9
237.18456	4.9
255.19531	1.0
261.18646	0.7
265.18021	2.9
279.19556	34.7
280.19952	0.9
289.18018	1.2
307.19037	100.0
308.19351	2.3
381.22699	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	381.0269
Annotation	Flufenpyr
Peak:m/z	Relative Intensity
53.03940	2.1
55.01863	2.5
55.93529	3.7
56.94319	2.7
60.17583	1.3
69.03425	3.7
69.76360	9.4
70.95862	4.1
72.93791	9.7
81.03415	4.5
85.02915	4.2
90.94832	8.8
91.05499	16.6
97.02905	7.8
103.05497	2.1
107.04945	2.2
108.95875	2.2
111.04452	1.9
116.84751	1.7
119.04958	35.9
122.01211	1.6
126.11678	1.7
127.03881	1.6
128.96326	12.2
131.04971	3.5
132.95837	7.7
133.06493	1.7
137.05968	5.6
141.07031	1.7
144.95839	8.0
145.06458	1.7
146.97397	6.1
147.04424	100.0
148.04825	2.0
150.96896	4.5
152.96382	5.2
154.26793	1.8
158.97424	15.9
161.06018	2.1
162.96909	7.3
163.03914	3.3
168.95830	4.1
170.97426	6.5
174.96844	1.7
176.98499	6.3
177.05528	1.5
177.30579	1.4
178.97850	1.6
179.07011	1.6
186.96953	6.0
188.98460	1.4
189.05467	4.4
190.97935	1.9
192.99535	3.0
198.96893	3.2
201.06424	1.5
202.97943	4.6
206.97372	2.0
216.97966	6.6
218.97438	12.5
219.06465	2.1
220.99017	7.5
234.96892	3.4
234.99019	26.9
236.98499	15.9
246.96976	1.9
253.00162	2.3
260.09238	2.1
260.98468	22.0
264.98004	4.5
271.00452	7.0
272.98450	8.8
278.99524	11.6
287.00146	7.3
290.99545	5.2
302.99557	3.4
305.01068	6.5
313.74152	1.6
314.99533	8.3
321.00632	2.8
333.00513	9.2
345.00693	10.6
362.97101	2.0
363.01630	42.2
381.02835	20.0
381.11594	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	381.0798
Annotation	Unknow
Peak:m/z	Relative Intensity
69.66103	2.0
71.47387	3.4
75.22563	1.8
105.76835	2.0
108.18798	1.9
119.04220	2.0
154.24533	1.9
188.69847	2.1
201.01682	4.1
219.02757	3.7
232.08511	1.8
349.09766	1.9
381.07956	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	12.2
53.25997	1.1
55.01884	1.5
55.05497	2.5
57.03432	1.8
65.03933	1.9
67.05512	8.6
69.03412	3.0
69.07062	2.1
69.78299	5.4
77.91586	1.1
79.05495	29.7
81.03427	8.5
81.07065	6.8
83.04957	1.3
83.08624	1.5
85.02906	3.9
91.05472	17.3
93.07044	5.7
95.04964	10.9
95.08600	3.7
97.02882	1.6
97.06516	1.4
97.10151	1.2
98.21510	1.5
99.43955	1.2
103.05494	1.9
104.45131	1.2
105.03389	3.3
105.07043	9.7
107.04287	1.9
107.04965	23.7
107.08594	3.1
109.06486	1.6
109.10158	2.4
111.04448	1.7
113.02396	9.1
115.05450	3.4
117.07022	8.5
119.04941	2.8
119.08576	7.3
121.06528	1.2
121.10146	1.6
123.04393	2.6
128.06215	2.5
129.07021	10.8
131.03343	2.4
131.04929	2.9
131.08574	6.7
133.06523	5.9
133.10190	1.9
135.04471	6.2
135.07961	1.2
137.06041	1.1
141.07002	4.6
141.47850	1.2
142.07777	3.6
143.08556	4.2
144.05762	1.5
145.06480	5.6
145.10147	1.9
147.04433	2.9
147.08058	2.0
152.06192	2.7
153.06856	1.6
157.06509	5.2
157.10129	6.9
159.08067	21.4
161.05901	2.8
165.05490	6.8
165.06931	2.5
166.07751	1.6
167.08578	12.9
170.07310	1.9
171.08047	3.2
185.05952	2.6
185.09650	12.9
185.13293	1.4
187.07541	1.6
187.11214	1.9
195.08005	5.8
203.10660	2.0
205.08635	13.9
213.09117	100.0
214.09366	1.8
231.10199	22.1
233.15413	1.9
249.11244	2.1
259.09760	7.4
277.10709	13.0
299.09201	11.1
317.10223	31.7
333.15704	1.2
335.11279	19.8
335.18604	2.2
345.09680	3.2
363.10730	12.6
402.26987	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2846
Annotation	1-Arachidonoylglycerol
Peak:m/z	Relative Intensity
53.03942	5.4
53.56794	2.1
55.01864	7.1
55.05517	25.9
57.03447	14.3
57.07081	18.0
65.03934	4.1
67.05510	83.0
69.06789	2.2
69.07079	26.4
70.18449	2.5
70.18796	9.0
71.04990	6.0
71.08633	5.4
79.05500	70.4
81.07064	70.9
83.04965	4.7
83.08617	14.5
85.06554	14.8
85.10159	6.7
91.04903	2.4
91.05489	89.9
93.07054	91.2
95.04970	4.8
95.08620	60.0
95.09203	2.2
97.06520	7.2
97.10187	6.4
99.04480	2.5
99.08071	3.3
103.03931	3.4
105.07046	68.9
107.08603	47.1
109.06563	3.8
109.10168	21.4
110.68806	2.3
111.08067	4.4
113.09701	3.4
117.07032	25.2
119.08597	72.4
119.51984	2.3
121.06530	2.9
121.10155	59.9
123.08072	4.9
123.11695	6.7
125.09676	2.4
129.05487	10.7
129.07016	22.2
131.08585	41.1
133.10138	59.8
135.08057	9.3
135.11725	22.5
137.09637	4.0
137.13275	5.0
142.07825	2.4
143.08565	24.2
145.10138	25.6
147.08092	3.7
147.11699	38.0
149.09610	9.7
149.13254	9.9
151.14807	3.6
157.10158	21.4
159.11711	11.9
161.09570	8.8
161.13278	24.5
163.11189	3.2
163.14835	10.2
171.11693	32.7
173.13315	13.9
175.11166	8.3
175.14850	21.3
177.16412	9.7
185.13252	32.1
187.14793	7.3
189.12737	10.4
189.16399	26.3
191.17966	4.7
199.14803	16.7
201.16383	8.8
203.14337	7.5
203.17973	45.2
205.15892	5.5
213.16391	5.9
221.15233	5.2
223.13316	2.4
227.17952	5.4
235.16972	2.6
241.19537	4.1
243.21034	8.7
245.22672	26.4
256.94556	2.4
259.20590	9.5
259.24289	20.8
269.22653	64.7
287.23706	100.0
288.23993	3.7
305.24857	15.5
361.27426	12.9
379.28461	73.7
379.40039	2.2
380.28470	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45050	2.8
53.03941	4.9
55.05519	15.1
57.03432	4.6
57.07095	7.3
65.03964	3.8
67.05507	50.0
69.07069	14.0
70.70228	5.9
70.70631	5.8
71.05018	4.2
71.08633	8.8
79.05495	41.0
81.07056	56.6
83.08620	8.7
85.06555	8.6
91.05485	71.8
93.07048	53.5
95.08608	42.2
97.06548	6.7
97.10193	4.0
99.08110	3.7
105.07043	55.1
107.08595	24.5
109.10148	12.2
111.08102	5.1
117.06994	19.3
119.08592	59.9
121.10146	36.3
122.08337	3.0
123.11691	2.9
129.07014	20.9
131.08560	38.8
133.10135	39.1
135.08096	4.8
135.11694	10.4
137.13210	7.7
137.33978	3.4
142.07828	4.6
143.08586	18.9
145.10115	18.5
147.08089	3.3
147.11685	21.8
149.09679	6.3
149.13330	4.2
151.14815	3.9
157.10101	15.5
159.11720	9.7
161.09579	4.9
161.13286	17.7
163.14871	4.7
171.11690	28.7
173.13252	8.5
175.11218	9.3
175.14861	19.1
177.16391	7.7
185.13292	25.1
187.14836	7.9
189.12761	7.9
189.16388	18.1
191.17972	5.1
199.14862	12.2
201.16409	8.2
203.14389	4.4
203.17978	37.5
205.19484	4.0
213.16319	5.8
215.17978	3.6
241.19702	3.3
243.21140	7.3
245.22713	19.9
259.20654	9.8
259.24234	13.8
268.81039	3.3
269.22672	52.8
287.23694	100.0
302.12048	3.1
334.48264	3.3
358.39709	3.3
379.28442	61.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83942	1.7
53.03934	4.8
55.05510	16.2
57.03434	7.8
57.07070	2.4
62.02654	1.6
65.03930	2.5
67.05173	3.4
67.05511	50.1
69.07073	16.0
70.30404	5.7
71.04967	2.5
75.04516	1.5
79.05058	2.7
79.05495	44.7
81.07063	54.9
83.08614	8.9
91.04955	3.1
91.05483	37.7
93.07047	68.5
94.02448	1.8
95.04970	4.1
95.08613	50.2
97.06546	2.9
97.10165	3.1
105.07043	33.7
107.08602	41.9
109.10164	22.2
113.09605	1.9
115.96597	1.4
117.07041	8.0
119.08598	36.7
121.06440	1.8
121.10154	50.4
123.11713	7.2
125.57410	1.6
129.06976	3.6
131.08563	14.0
133.10139	25.3
135.11714	28.4
137.09659	1.7
137.13246	1.9
143.08588	5.9
145.10147	12.4
147.11668	15.2
149.13266	18.9
157.10164	6.0
159.11711	11.0
161.13307	19.7
163.11246	1.9
163.14838	22.3
171.11684	7.0
173.13286	11.5
175.14851	19.6
177.12839	2.3
177.16396	9.8
185.13335	5.2
187.14833	6.6
189.16409	11.6
191.14438	2.1
199.14836	5.4
201.16360	2.4
203.17938	3.6
205.15874	2.2
213.16374	3.2
227.18021	2.4
245.19130	2.8
259.24127	2.0
263.77765	1.5
269.22739	14.8
287.23715	80.3
288.24136	3.0
305.24838	11.0
361.27313	8.5
379.28470	100.0
380.28885	2.9
392.53680	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2845
Annotation	1-Arachidonoylglycerol
Peak:m/z	Relative Intensity
53.03952	5.9
55.01869	6.0
55.05518	25.3
57.03448	12.1
57.07082	17.0
59.04997	2.1
59.48604	1.5
61.02921	2.0
65.03935	4.7
66.53094	1.5
67.05510	81.9
69.03408	1.8
69.07076	25.0
70.08173	3.8
70.08562	3.4
71.04985	7.8
71.08646	9.7
75.04506	2.4
79.05502	67.0
79.88158	1.6
81.03419	4.3
81.07064	75.6
83.04990	5.4
83.08649	12.6
85.02904	2.4
85.06554	12.1
85.10183	3.8
91.03973	2.3
91.05491	88.6
93.07052	89.1
95.04967	7.5
95.08615	61.8
97.02898	1.5
97.06529	7.2
97.10187	5.2
98.21494	2.2
99.04474	1.7
99.08098	4.6
101.06039	2.2
103.03946	3.0
105.04568	1.9
105.07042	65.4
107.04966	2.5
107.08604	45.5
109.06520	3.2
109.10173	20.5
111.08067	4.1
113.09682	3.5
115.05459	3.1
117.07027	25.2
119.08593	68.5
120.08886	2.0
121.06532	2.5
121.09303	3.5
121.10160	56.9
123.08081	3.7
123.11709	9.2
125.09651	3.7
128.06177	2.7
129.05554	8.8
129.07018	20.6
131.08586	44.1
131.09520	3.2
133.10141	59.2
135.08073	8.8
135.11716	22.3
136.08441	1.6
137.09631	4.2
137.13263	5.2
142.07802	3.2
143.08574	21.9
145.10133	27.4
147.08028	4.1
147.11696	36.1
147.12775	2.4
149.09639	9.5
149.13242	8.0
151.11217	3.0
151.14835	4.2
155.14316	1.5
157.10143	22.5
159.11696	13.3
161.09636	8.2
161.13264	24.6
163.11212	3.7
163.14809	8.8
169.10240	2.4
171.11713	33.5
172.12090	1.9
173.13268	12.2
175.11192	10.0
175.14861	22.8
177.16425	12.4
185.13275	30.5
187.14865	8.8
189.12790	12.6
189.16394	22.3
191.17984	8.9
199.14859	13.4
201.16399	6.7
203.14334	8.3
203.17969	49.5
205.15964	4.0
205.19640	2.9
207.13908	2.8
213.16400	6.4
217.15976	3.1
219.17546	2.5
221.15483	4.0
227.17906	4.0
231.17499	2.1
241.19482	2.8
243.21164	6.0
245.22682	25.9
259.20682	10.7
259.24219	18.6
261.93256	1.7
269.22659	67.5
270.23126	2.4
287.23706	100.0
288.24054	3.4
305.24771	15.3
309.02686	1.8
314.05472	1.7
335.95184	1.8
343.22830	1.8
361.27463	13.7
372.15262	1.7
379.28485	76.1
380.28900	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	379.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	4.6
69.61901	2.9
70.06596	4.7
70.79738	3.4
71.56296	3.4
79.05523	3.5
81.03407	3.8
85.02920	8.0
91.05527	4.8
97.02921	4.2
104.05077	3.9
105.07085	3.2
112.05125	4.5
119.04956	7.7
119.56071	2.8
129.05457	3.5
130.03322	3.2
133.06519	3.4
134.06010	9.3
135.28448	3.5
135.29535	3.4
136.07532	3.4
140.07089	4.0
147.04446	18.8
152.03419	4.4
152.07036	3.7
154.04988	3.2
160.03896	4.4
162.05537	12.9
168.06613	11.1
170.06052	3.3
170.09669	3.5
172.07631	3.7
178.05031	18.1
180.06554	10.7
182.09767	3.4
186.09154	5.3
187.05058	21.6
188.03465	3.5
190.05090	4.1
192.22066	3.3
197.07161	4.6
197.10715	3.8
198.09258	4.9
199.08676	10.0
205.06117	16.7
206.04529	5.0
206.06891	5.1
211.08682	18.5
213.10277	3.8
223.08791	4.9
224.07198	3.3
225.10271	5.9
226.05099	3.8
226.08652	6.4
227.08163	23.2
227.11778	6.3
228.06743	7.4
229.09729	6.1
234.99008	11.0
241.09705	7.4
242.04547	4.4
242.08266	3.3
244.06055	3.5
245.09297	10.5
246.07652	5.2
252.06522	7.2
253.09778	12.4
255.07664	12.8
256.06201	4.9
257.09357	5.8
258.98990	3.4
269.09244	17.0
270.04163	7.5
270.07593	7.6
271.10812	13.1
271.14377	3.6
272.09134	4.9
273.08725	18.1
274.07233	3.8
279.07840	5.2
281.09146	11.2
283.07132	3.6
287.10452	5.6
297.08731	41.4
298.07236	13.1
299.10315	19.0
300.08832	4.7
301.08051	4.7
303.70032	3.5
315.09760	39.0
316.08240	14.9
317.11438	11.9
319.09186	4.8
325.08206	6.9
326.06705	8.8
333.10883	5.0
343.09280	96.2
344.07837	12.1
361.10297	100.0
362.08694	20.6
379.10962	34.2
379.18610	4.0
401.20886	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	379.2842
Annotation	1-Arachidonoylglycerol
Peak:m/z	Relative Intensity
53.03939	3.8
55.01862	4.0
55.05519	18.1
57.03429	12.0
57.07081	19.1
57.53417	3.2
57.68215	3.1
58.19089	4.1
63.55337	3.0
65.03938	5.2
67.05508	56.5
69.07063	21.8
69.51006	27.1
71.04977	3.3
71.08626	4.1
79.05064	4.4
79.05499	60.6
81.07060	63.1
83.08606	8.9
85.06528	12.5
85.10186	4.4
91.05479	67.8
93.07054	70.6
95.04984	5.0
95.08607	51.7
98.20741	6.6
105.06377	5.4
105.07034	60.9
107.08600	44.2
109.10174	16.5
117.07021	24.0
119.08587	61.0
121.10147	48.6
123.11716	8.4
128.06201	7.2
129.05461	8.3
129.06992	12.8
131.08577	35.4
133.10152	50.0
135.08044	7.0
135.11723	18.7
137.09637	4.3
137.13254	7.6
142.07718	4.9
143.08549	17.4
145.10191	20.5
147.08041	5.7
147.11707	26.8
149.09598	9.8
149.13223	4.9
157.10127	16.0
159.11684	10.7
161.09627	6.2
161.13271	11.9
163.11263	4.1
163.14854	4.4
171.11714	29.3
173.13356	6.8
175.11174	7.0
175.14841	22.2
177.16425	8.3
185.13275	27.6
187.14763	8.1
189.12767	10.6
189.16376	21.3
191.17960	9.6
199.14787	10.0
203.14386	6.1
203.17981	38.6
205.15944	4.2
205.19464	4.2
205.91977	3.2
207.13840	5.0
212.32578	3.8
213.16425	8.2
217.15909	5.5
221.15402	4.1
243.21103	5.4
245.22653	28.3
259.20679	8.4
259.24191	13.4
269.22635	59.3
278.66919	3.6
287.23700	100.0
305.24689	13.8
309.35300	3.5
361.27423	14.3
379.28476	71.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39572	1.9
57.03424	1.8
65.03926	3.7
67.05513	47.7
69.03429	5.1
69.07083	2.6
71.04994	2.4
71.08639	2.6
71.08973	2.9
79.05485	4.6
81.03407	3.0
81.07057	7.5
83.04958	2.2
84.03535	1.9
85.02880	2.1
91.05484	3.1
93.07074	3.9
95.04978	100.0
95.08588	2.1
97.06553	20.6
103.05480	5.2
105.07027	4.3
107.04998	2.4
107.08623	3.4
109.06556	4.1
109.10084	3.4
111.04432	2.6
115.05441	2.5
119.08618	2.1
121.10137	2.2
123.04439	8.3
129.07004	4.6
131.04944	14.1
131.08519	2.8
133.10133	5.4
135.04431	5.5
135.11670	2.6
141.07024	4.8
143.08557	3.7
145.06430	3.1
147.04387	3.8
152.06296	3.8
153.07024	2.3
157.06503	3.1
157.10164	5.5
159.11748	2.5
160.05196	8.3
161.05980	27.0
161.09691	2.8
163.03920	16.5
163.11111	2.5
165.05490	13.9
165.06781	2.2
167.08559	12.0
171.06491	3.5
171.08012	3.6
173.06001	8.8
173.13364	2.2
175.03920	2.7
175.07549	15.0
175.14795	2.6
177.05476	2.8
179.08530	3.3
181.06435	2.8
185.05939	2.6
185.09618	5.6
187.07590	5.3
189.05513	2.7
189.09132	27.0
195.08093	21.6
197.09631	2.1
198.06683	3.0
201.09126	8.4
203.07101	2.9
203.10677	12.9
209.04602	10.0
213.09099	35.3
213.10980	3.4
215.06993	12.3
215.10744	3.3
217.08601	20.3
225.09132	6.6
231.10161	16.7
241.08624	5.5
243.10280	4.1
259.09686	63.4
291.12213	7.0
335.11301	7.8
379.10120	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	379.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37675	1.5
55.01864	1.6
55.05516	3.0
57.03439	1.9
65.03946	5.4
67.05512	46.9
69.03429	4.7
69.07072	2.4
69.75011	7.5
71.01339	1.4
71.04989	2.7
79.05502	4.2
81.03462	1.8
81.07066	4.2
83.04987	1.8
83.89146	1.4
85.02908	3.2
91.05499	3.0
93.07055	3.0
95.04977	100.0
95.08634	2.4
97.06539	16.3
105.07040	5.0
107.04932	2.2
109.06521	3.8
109.10114	2.4
115.05464	3.3
119.08601	4.1
123.04446	7.5
127.07529	2.4
127.12941	1.7
128.06268	2.8
129.07019	3.7
131.04944	5.6
131.08609	2.8
133.06487	3.7
133.10130	4.3
134.25717	1.6
135.04399	4.1
135.11725	2.4
141.06993	5.0
142.07748	2.8
143.04912	2.6
143.08553	5.6
145.10085	1.8
147.04388	2.7
147.08107	2.0
149.06046	2.6
152.06192	3.6
153.05600	1.7
153.07001	2.3
157.06476	3.9
157.10187	7.5
160.05243	6.9
161.06000	23.4
163.03932	16.6
165.05502	16.4
165.06949	2.6
167.08586	14.2
169.06535	3.0
171.06633	2.2
171.08058	3.2
173.06006	9.0
174.06783	2.6
175.04091	2.0
175.07568	12.4
175.14746	2.8
176.04695	2.2
179.08507	2.5
181.06487	1.7
184.05132	3.1
185.05997	3.5
185.09673	6.4
187.07576	5.5
189.05469	3.0
189.09126	31.8
195.08089	14.8
197.57901	1.5
198.06845	3.2
199.07593	2.5
201.09138	7.6
203.10719	9.4
209.04501	12.6
209.09766	1.8
211.07466	1.7
213.09123	33.1
215.07060	12.8
215.10675	3.1
217.08640	18.2
225.09128	3.7
231.10219	17.7
241.08658	5.4
243.10263	3.6
259.09680	56.0
271.09573	1.7
278.55823	1.6
291.12289	5.1
321.26688	1.6
335.11316	7.3
379.15643	3.0
379.20969	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2688
Annotation	2-eicosapentaenoyl-glycerol
Peak:m/z	Relative Intensity
51.41541	1.7
53.03946	2.3
54.40407	1.7
55.01878	9.3
55.05523	11.3
57.03438	10.7
57.07078	12.5
57.58219	1.5
62.56310	1.8
65.03938	2.4
67.05167	2.7
67.05507	37.6
69.07082	12.7
69.61586	6.1
69.62001	4.3
71.04989	7.3
71.08634	2.8
73.02911	1.5
79.05497	27.7
81.07062	33.7
83.04994	2.5
83.08614	5.6
85.02884	1.9
85.06525	3.6
87.04455	2.0
91.05484	53.8
93.07043	28.2
95.04985	3.7
95.08607	30.0
97.06544	4.0
103.05492	1.9
105.07034	40.2
107.08612	15.5
109.10174	9.1
111.00822	2.0
111.08046	2.4
115.05453	2.2
117.07021	38.6
119.08587	29.6
121.06499	3.0
121.10141	14.6
123.11703	4.0
128.06238	4.1
129.05516	17.2
129.07008	23.7
130.07777	2.3
131.08577	58.4
133.06535	1.8
133.10144	22.3
135.08034	6.2
135.11697	6.3
135.61441	1.6
137.13286	2.5
139.03883	6.0
141.07002	16.2
143.08569	16.0
145.10126	44.5
147.08054	2.1
147.11681	9.3
149.09651	10.1
149.13319	2.8
154.07736	2.4
155.08577	11.8
157.10139	16.1
159.08044	4.6
159.11716	24.2
161.09645	3.4
161.13243	10.3
163.11241	2.1
163.14818	3.1
169.10135	19.4
171.11707	12.4
173.09634	4.0
173.13254	17.0
175.11186	2.0
175.14833	8.8
183.11681	17.9
185.13278	7.4
187.11208	15.1
187.14836	14.6
189.16359	5.3
197.13278	12.3
199.14857	6.3
201.12804	12.9
201.16391	18.5
203.14305	2.7
205.15865	4.5
211.14850	9.7
213.16400	2.9
215.09213	1.6
215.14388	4.2
215.18068	2.0
217.15874	2.7
219.17506	1.7
223.17003	1.8
225.16446	4.1
229.15900	2.2
241.19542	9.7
243.21103	34.0
257.18991	6.8
257.22656	12.0
265.18051	5.9
267.21094	41.3
267.23944	2.9
285.22162	86.5
286.22275	3.1
293.17526	10.2
303.23212	11.8
335.18747	2.3
359.26013	4.4
377.19800	14.3
377.26874	100.0
378.27124	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	377.2689
Annotation	2-eicosapentaenoyl-glycerol
Peak:m/z	Relative Intensity
55.05534	24.3
57.03438	10.6
57.07051	7.6
67.05509	58.4
69.07072	25.5
71.04990	11.2
73.53635	4.3
79.05493	44.6
81.07063	53.7
83.05028	5.5
83.08630	12.7
91.05492	53.5
93.07041	60.0
95.04980	7.2
95.08607	51.1
105.07041	46.2
107.08598	28.5
109.10152	20.7
115.05465	5.1
117.07035	27.4
119.08587	44.4
121.10149	26.4
123.11741	14.3
129.05482	8.8
129.07011	18.2
131.08551	43.5
133.10143	40.2
135.08072	5.6
135.11714	20.9
139.03888	6.8
141.06993	9.7
143.08597	19.2
145.10135	36.5
145.11823	4.4
145.51260	5.9
147.04453	6.3
147.11702	24.1
149.09624	7.2
149.13234	7.7
155.08528	9.1
155.71611	4.4
157.10143	17.6
159.11737	36.7
161.09663	8.9
161.13223	22.2
163.11174	7.7
169.10114	10.9
171.11725	15.8
173.13260	30.7
175.11133	7.1
175.14827	16.2
176.68483	4.5
177.12726	5.0
183.11745	12.7
185.13301	11.5
187.14824	19.7
189.12740	6.1
189.16373	8.5
197.13341	8.9
199.14738	9.5
201.12566	5.8
201.16318	24.7
211.14851	13.2
215.14398	7.8
219.74487	4.7
225.16333	15.3
238.12906	4.5
241.19623	7.3
243.21069	17.4
257.18979	13.9
257.22794	8.5
267.21112	50.9
285.22147	73.5
303.23209	9.5
359.25580	10.6
377.19534	9.1
377.26901	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97376	1.4
53.03941	1.9
55.01864	3.9
55.05517	13.8
57.03423	4.5
57.07078	3.9
65.03928	2.1
66.67262	1.4
67.05508	48.0
69.07056	12.2
69.38054	13.0
70.74039	1.8
71.04977	2.6
79.05494	40.1
81.07061	45.7
83.04968	3.9
83.08612	5.5
85.06545	4.5
90.65799	1.7
90.67026	1.5
91.05486	49.7
93.07053	39.6
95.04980	4.1
95.08607	29.0
95.09168	2.9
97.06586	3.2
97.10164	2.1
99.08085	2.2
105.07033	40.0
105.77525	1.6
107.08589	24.4
107.79961	1.4
109.06528	2.3
109.10159	14.9
115.05428	2.1
117.07024	34.1
119.08583	40.3
121.10145	25.1
123.11726	9.2
129.05504	3.1
129.06998	16.5
131.08569	46.8
133.10135	32.5
134.63458	1.8
135.08034	4.1
135.11705	18.3
137.09595	2.3
137.13211	1.9
141.07005	7.5
143.08572	12.9
145.10139	35.9
147.08017	3.7
147.11674	17.0
149.09627	8.7
149.13277	7.0
155.08549	6.9
157.10130	16.0
158.10918	1.6
159.08096	1.6
159.11693	25.5
161.09637	4.4
161.13266	17.7
163.11176	5.6
163.14812	3.2
165.12836	2.5
169.10191	11.2
171.11693	12.0
173.13263	25.5
175.11195	5.2
175.14828	14.0
177.12769	3.0
183.11726	13.3
185.13254	12.7
187.11211	3.5
187.14825	21.2
189.12747	5.0
189.16386	6.9
197.13278	10.9
199.14769	9.2
201.12782	7.2
201.16389	31.4
203.14360	5.5
203.17989	3.1
205.15974	2.1
211.14830	10.9
213.16406	4.1
215.14371	4.4
225.16368	11.4
229.15974	2.4
239.17961	5.0
241.19559	5.9
243.17554	2.4
243.21017	8.5
257.19083	10.2
257.22720	6.4
267.21063	42.0
268.21362	1.8
276.58377	1.6
285.22137	69.5
286.22495	2.5
303.23264	4.4
333.88834	1.7
359.25720	7.3
377.26901	100.0
378.27271	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2687
Annotation	2-eicosapentaenoyl-glycerol
Peak:m/z	Relative Intensity
53.03931	4.4
55.05521	16.4
57.03435	7.3
57.07057	4.1
67.05511	47.5
69.07056	12.4
69.37773	24.6
74.58069	2.8
79.05498	39.4
81.07059	55.9
83.08614	6.1
85.06544	7.3
91.05484	55.4
91.62642	3.0
93.07052	43.5
95.04964	3.1
95.08603	35.5
97.10203	3.7
98.21423	7.4
101.19648	3.1
105.07040	42.9
107.08595	24.1
109.10168	15.4
111.08131	3.0
117.07014	33.0
119.08585	43.3
121.10154	30.2
123.11717	10.7
129.05484	8.0
129.07011	18.2
131.08574	46.8
133.10141	34.5
135.08092	6.8
135.11673	20.0
140.24303	3.1
141.06961	11.0
143.08533	14.4
145.10144	35.6
147.11700	22.7
149.09634	8.5
149.13275	9.7
155.08572	7.5
157.10109	15.1
158.36282	2.9
159.11693	26.6
161.13246	20.8
163.11238	5.3
163.14790	3.9
169.10194	10.3
171.11737	16.5
173.13280	26.7
175.11240	6.0
175.14822	17.6
183.11681	11.8
185.13269	14.2
187.14824	21.6
189.16441	6.3
197.13284	9.8
199.14873	12.4
201.12766	7.7
201.16446	26.1
211.14841	8.6
213.16380	3.8
215.14299	8.8
222.28113	3.1
225.16425	8.5
239.17969	3.5
241.19720	6.9
243.21104	14.3
251.00214	3.1
257.19006	6.8
257.22830	5.5
267.21097	49.4
285.22171	71.8
286.31012	3.6
303.23215	10.9
357.42712	3.2
359.25830	9.1
377.26898	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2689
Annotation	2-eicosapentaenoyl-glycerol
Peak:m/z	Relative Intensity
53.03941	3.7
55.01877	15.8
55.05517	18.2
57.03448	20.0
57.07083	12.2
57.08120	2.5
60.82613	2.7
67.05170	3.4
67.05510	56.6
69.07069	25.3
71.01702	6.1
71.04987	13.4
71.08643	3.1
73.02936	4.1
75.04466	4.5
77.61284	2.6
79.05493	36.9
81.07066	55.7
82.29976	2.3
83.04993	5.0
83.08640	7.5
83.28718	2.6
85.06549	3.8
87.04493	5.8
91.05490	91.6
93.07050	37.1
95.04977	5.0
95.08617	34.6
97.06543	6.1
97.10140	5.5
101.06104	3.0
105.07043	51.3
107.08598	17.9
109.10160	9.5
111.00779	2.5
115.05460	3.0
117.07019	59.7
117.31106	2.4
118.50822	2.5
119.08599	37.5
121.10155	18.9
123.11706	5.4
128.06230	5.7
129.05499	33.1
129.06990	30.3
131.08585	79.7
133.10141	21.1
135.08044	6.6
135.11711	10.8
137.13298	3.0
139.03926	5.3
141.06987	36.9
142.07837	4.3
143.08548	27.9
145.06496	3.0
145.10133	52.5
147.08049	3.8
147.11702	11.7
149.09660	9.7
149.13293	5.5
154.07860	4.7
155.08554	17.0
157.10153	25.1
159.08096	5.4
159.11693	36.3
161.09651	11.2
161.13307	10.5
163.14897	4.9
169.10135	40.9
171.11713	20.7
173.08290	2.8
173.09695	7.9
173.13271	24.7
175.14873	10.5
177.12779	2.7
183.11708	33.0
185.13316	10.7
187.11227	14.8
187.14857	14.5
189.12772	3.5
189.16478	7.1
197.13225	15.1
199.14867	5.4
201.12756	22.3
201.14699	3.8
201.16382	25.6
203.17950	3.8
205.12369	2.9
211.14922	9.1
215.14363	10.9
215.18024	3.8
221.15430	3.7
225.16299	6.2
229.19542	2.9
241.19525	13.0
243.21103	42.2
250.56544	2.5
257.19080	9.7
257.22632	16.1
265.18033	4.2
267.21094	50.1
282.51477	3.0
285.22153	98.8
293.17715	4.0
293.21039	2.6
303.23126	13.8
323.12265	2.7
359.26089	7.1
377.19330	6.2
377.22711	5.1
377.26956	100.0
378.27167	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	377.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.2
55.01872	3.4
55.05516	15.1
57.03433	2.8
57.07071	5.0
65.03950	2.4
67.05164	4.4
67.05508	53.6
69.07076	14.0
70.43901	4.8
71.05003	4.2
74.46449	2.8
77.01556	2.8
79.05502	38.2
81.07060	54.5
83.04996	4.4
83.08604	6.6
85.06552	8.5
91.05480	53.3
93.07043	44.4
95.04996	4.0
95.08608	35.0
97.06520	3.7
105.03413	3.3
105.07032	40.1
107.08593	26.1
109.06528	5.7
109.10149	19.0
111.08143	3.8
115.05430	3.2
117.07015	35.6
119.08582	44.9
121.10150	29.4
123.11721	9.4
128.06314	2.5
129.05574	3.0
129.07028	16.0
131.08571	45.9
133.10136	33.5
134.27016	2.5
135.08026	4.4
135.11711	22.8
137.13255	4.0
141.07007	10.2
143.08572	15.1
145.10133	36.5
147.11687	19.3
149.05971	6.8
149.09647	8.8
149.13289	5.9
155.08585	6.6
157.10135	14.1
159.11713	28.3
161.09674	4.2
161.13272	19.9
163.11165	6.2
163.14818	5.1
169.10120	15.7
171.11688	15.0
173.13274	24.2
175.11092	3.1
175.14815	18.5
177.12729	4.5
183.11693	11.8
185.13306	14.0
187.14830	25.7
189.12762	5.1
189.16443	9.5
197.13184	13.2
199.14853	13.4
201.12740	3.8
201.16405	28.0
203.14323	4.0
203.17998	4.3
203.60501	2.3
211.14873	7.4
213.16609	3.7
215.14459	3.8
215.17995	4.0
225.16434	7.1
229.15866	4.9
239.17990	7.6
241.19618	3.6
243.21205	11.3
256.26535	2.7
257.19098	7.0
257.22665	9.9
257.82706	2.4
267.21060	43.3
268.21619	2.5
285.22162	77.0
293.17432	3.3
303.23309	6.9
359.25827	5.5
377.19516	7.4
377.26935	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2325
Annotation	Macrolactin H
Peak:m/z	Relative Intensity
53.03936	2.0
55.05502	1.8
59.95433	1.1
63.24019	1.4
67.05491	2.9
69.07059	2.8
71.08625	2.5
71.57067	2.0
79.05494	3.6
81.07069	3.6
81.24879	1.3
84.13956	1.2
91.05479	13.8
93.07034	3.3
95.08642	3.2
99.84104	1.5
105.07011	3.9
109.10185	1.5
114.83751	1.2
117.07014	1.7
119.04946	28.6
119.08559	3.0
121.10118	2.4
123.11659	1.4
129.06984	1.9
131.08575	3.2
133.10135	2.1
135.11638	1.7
139.14195	1.4
141.06990	1.8
145.10109	2.2
147.04416	100.0
147.11638	1.3
148.04759	1.7
159.11734	1.5
165.05353	1.5
169.10139	1.4
187.14883	2.1
205.15894	2.8
293.17468	1.9
377.19635	2.9
377.26828	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	377.2687
Annotation	2-eicosapentaenoyl-glycerol
Peak:m/z	Relative Intensity
53.03953	2.3
55.01865	4.0
55.05523	12.6
57.03429	10.3
57.07077	3.5
65.03928	2.4
67.05508	51.6
69.07070	15.0
69.54791	11.1
69.55196	5.0
71.05003	2.7
79.05503	37.8
81.07067	52.6
81.61726	2.2
83.08617	10.0
85.06557	5.5
91.05486	57.6
92.64294	2.3
93.07056	48.8
95.04995	4.3
95.08611	33.8
97.06541	4.2
97.10205	2.9
98.21475	2.9
105.07037	48.7
107.08597	24.6
108.91525	1.9
109.10152	15.7
111.08091	2.8
113.09631	2.0
117.07032	27.9
119.08585	47.8
121.10155	29.5
123.08106	2.8
123.11707	10.2
125.09652	2.4
129.05481	5.5
129.07013	17.8
131.08582	41.9
133.10155	34.2
135.08073	3.3
135.11708	16.5
137.09694	2.7
137.13271	2.7
141.07001	9.6
143.08594	12.9
145.10136	34.1
147.11670	17.8
149.09676	4.5
149.13295	7.2
155.08582	9.0
157.10109	13.7
159.11700	26.5
161.09636	3.7
161.13271	19.9
163.11212	4.9
163.14818	4.1
169.10127	9.2
171.11711	13.9
172.28200	2.4
173.13251	21.1
175.11121	2.6
175.14882	16.1
177.12804	3.7
183.11737	16.3
185.13290	13.2
187.11145	4.6
187.14857	23.3
189.12833	3.2
189.16441	8.7
197.13287	12.3
199.14839	6.9
201.12747	5.2
201.16405	24.4
202.16811	2.7
203.14308	3.8
211.14857	10.7
213.16423	2.4
215.14310	6.0
225.16408	6.1
229.15958	2.7
239.18092	4.7
241.19458	5.1
243.21162	12.5
257.19049	4.6
257.22562	6.5
267.21082	40.0
285.22171	62.1
303.23090	12.5
315.56116	2.2
359.25861	8.8
377.19110	5.8
377.26892	100.0
378.27243	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1959
Annotation	Sauriol B
Peak:m/z	Relative Intensity
53.03934	0.5
55.01870	1.7
55.05514	8.0
55.90161	0.3
57.03414	0.3
57.03707	0.3
57.07080	3.0
59.04996	0.4
62.05257	0.3
67.01849	1.0
67.05511	5.5
68.99794	5.7
69.03413	0.9
69.07069	9.2
69.30460	2.2
69.30871	0.7
71.01316	0.4
71.04963	0.9
71.08605	1.1
79.05497	3.8
81.03413	0.8
81.06593	0.5
81.07059	8.4
83.04992	2.2
83.08620	9.0
84.87170	0.3
85.02871	1.3
85.06509	0.6
85.10172	0.4
90.22803	0.3
91.05451	1.2
93.07049	5.4
95.04948	1.1
95.08610	8.7
97.02858	1.4
97.05989	0.4
97.06532	4.8
97.10169	4.9
98.21483	0.7
99.04406	0.4
99.08072	0.4
105.07006	1.1
107.04949	0.6
107.08602	6.1
109.06519	0.8
109.10156	3.8
111.00809	17.8
111.04447	3.7
111.08080	2.1
111.11693	1.0
111.69334	0.3
117.07008	0.5
119.08526	1.2
121.06464	1.3
121.10145	5.7
123.04435	0.8
123.08031	1.3
123.11662	1.0
125.06048	1.8
125.09608	1.4
125.13257	0.4
127.03918	10.4
131.08542	1.2
133.10100	1.1
135.08070	2.2
135.11690	3.2
137.09622	0.9
137.13254	0.6
139.03906	35.4
139.07529	2.0
139.11192	2.1
145.10101	1.3
147.08015	0.4
147.11674	1.1
149.05997	0.7
149.09624	1.9
149.13254	1.2
151.07512	0.7
151.11172	0.5
153.05469	0.9
153.09103	2.1
153.12753	0.6
157.08626	0.6
159.11702	0.5
161.13197	0.5
163.07500	0.8
163.11218	0.8
163.14841	2.4
165.01846	0.5
165.12863	0.4
167.07039	1.5
167.10675	1.3
171.10127	0.9
173.13258	1.3
177.09090	0.5
177.16351	2.2
179.17998	0.4
181.08636	2.4
181.12227	0.7
185.11749	0.8
187.14827	1.3
189.16391	0.4
191.14357	0.4
193.08710	0.4
195.10172	3.4
195.17429	0.9
197.19273	0.3
199.13324	0.4
201.16386	0.4
205.15874	2.1
208.12056	0.3
209.11736	4.7
209.15381	0.6
211.14851	0.4
219.17343	0.6
223.13457	1.8
223.16920	6.0
241.18025	1.6
243.19518	1.2
247.17068	0.6
251.16414	2.5
265.17996	31.6
266.18362	0.9
275.16394	0.7
291.19421	0.6
293.17471	52.6
294.17743	1.6
309.20618	4.7
319.15439	0.5
335.18530	11.3
359.18640	1.3
377.19592	100.0
378.19913	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	376.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.8
55.01881	0.6
57.03437	1.0
60.78370	0.5
60.85762	0.5
61.02925	1.6
69.03432	4.3
69.41661	3.2
72.04527	0.7
73.02941	0.8
79.05524	0.6
81.03430	2.5
82.03773	0.5
85.02910	10.4
87.00852	1.0
91.98410	0.5
95.06616	0.5
97.02914	3.4
97.06514	0.6
99.04463	1.1
105.01860	0.7
109.02893	1.9
110.06113	1.2
115.05399	0.6
122.09664	1.5
127.03931	14.3
128.04248	7.0
138.05527	1.7
139.06285	23.0
140.07060	1.0
145.05000	1.6
147.04408	0.6
150.09148	6.4
152.07053	9.4
163.06256	1.2
164.86845	0.5
168.10172	3.0
176.07056	0.6
178.08681	4.7
196.09706	100.0
197.10002	0.9
207.20251	0.5
210.98946	0.6
214.10751	96.1
215.11073	0.7
234.96881	0.7
235.97615	1.5
252.97906	0.8
321.75305	0.5
332.66772	0.5
376.16251	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	377.1457
Annotation	(-)-Riboflavin
Peak:m/z	Relative Intensity
53.03935	2.1
54.44528	0.5
55.01854	0.9
57.03445	7.5
59.04985	0.5
61.02929	3.9
63.03010	0.5
69.03436	14.4
70.10557	1.6
71.01363	2.4
71.05006	3.5
73.02921	2.4
75.04469	2.2
81.03427	4.4
85.02888	0.9
91.05496	0.9
97.02872	0.5
99.04460	6.2
117.05505	1.0
127.03928	0.8
132.95859	0.7
137.05972	2.4
138.06367	0.5
144.95796	0.7
145.07622	2.2
147.04330	0.5
157.06422	1.0
158.97466	0.6
159.09247	0.6
166.31577	0.6
168.95769	0.5
170.07129	1.0
172.08708	31.2
174.10271	0.8
175.08673	0.9
179.10619	0.7
181.77704	0.5
189.02614	0.6
190.09831	1.6
198.06647	7.4
200.08205	5.9
216.07713	17.1
218.09268	1.5
229.08376	0.5
234.99043	2.7
243.08795	76.1
244.07057	0.7
244.09261	1.0
257.12915	0.7
291.05612	0.5
359.13446	3.7
377.14569	100.0
378.14890	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.2
54.94587	1.8
55.01871	7.5
55.05514	20.5
57.03428	7.4
57.07069	5.8
59.04990	2.3
61.02937	11.9
61.93691	1.7
65.42701	1.9
67.05510	9.8
69.03436	40.1
69.06719	2.8
69.07073	41.6
71.01336	2.0
71.04996	13.1
73.02919	6.3
79.05488	6.7
81.03421	13.5
81.07065	28.5
83.04984	10.2
83.08623	11.9
85.02914	80.8
85.06551	26.5
87.04472	6.5
91.03971	6.5
91.05483	3.8
93.07047	14.5
95.08611	40.6
97.02903	23.9
97.06528	6.9
97.10179	10.0
98.20667	2.9
99.04474	5.7
99.08106	22.2
105.07043	3.7
107.08608	29.8
109.02895	9.2
109.10152	17.9
111.11729	6.7
113.09640	4.7
121.10159	40.6
123.11727	8.4
125.09634	7.5
127.03931	20.4
127.11130	2.6
129.29655	1.8
135.11713	13.7
137.13263	24.2
139.11197	11.4
145.04982	15.1
149.13293	3.6
151.14812	6.7
153.12744	11.2
177.16400	100.0
178.16789	2.4
195.17467	44.5
213.18503	46.4
218.32301	1.8
339.61646	2.1
375.23749	2.9
387.26028	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	375.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.4
55.01880	8.3
55.05516	11.9
55.92365	1.3
57.03444	17.7
57.07089	5.0
65.03928	1.7
67.05170	2.0
67.05509	25.7
69.07072	7.1
71.00298	2.2
71.00650	0.9
71.04995	3.7
71.08637	100.0
73.02913	2.4
77.03922	1.6
79.05059	1.8
79.05501	33.9
81.03419	4.8
81.07063	20.1
83.01015	1.0
83.04984	10.0
83.08606	3.7
85.06547	3.0
91.05489	47.1
93.07050	22.9
95.04969	8.8
95.08606	11.5
97.06547	12.1
99.08103	71.4
103.05470	4.7
105.06375	1.9
105.07038	24.0
107.04964	3.0
107.08586	7.6
109.06532	4.4
109.10165	3.5
115.05450	5.3
117.07027	35.4
117.09228	1.5
119.08601	23.6
121.06525	8.1
121.10156	4.6
123.08096	6.3
127.11204	4.7
128.06218	5.9
129.05537	6.7
129.07014	16.9
131.08578	13.1
133.06479	1.3
133.10115	6.2
135.08038	5.7
135.11673	2.3
137.09608	2.7
141.07013	8.3
141.09111	1.0
141.12744	2.4
142.07707	1.5
143.08586	15.2
145.06458	2.0
145.10117	10.1
147.08092	4.4
147.11749	2.1
149.09601	2.1
151.11192	33.1
153.12744	6.7
154.07719	1.6
155.08580	2.7
157.10135	8.8
159.11717	5.4
161.09669	9.4
161.13249	1.3
165.12691	1.4
167.08600	2.5
167.10747	1.9
169.10144	16.0
171.11707	3.5
173.13281	1.5
175.11198	1.9
175.14850	2.1
177.12708	2.4
179.14291	1.8
181.10132	3.3
183.11713	2.8
185.13249	12.2
185.14682	1.5
187.11212	12.3
189.12833	1.4
189.16371	1.4
191.14343	1.7
194.63367	1.1
195.11700	2.2
199.11230	1.4
199.14812	3.6
201.12747	1.9
203.14305	7.2
205.12216	1.5
213.12729	1.3
217.15906	15.6
235.16946	2.6
265.19638	3.0
278.71198	1.1
283.20624	4.1
291.19681	2.9
301.21606	4.3
309.20801	1.2
375.21872	2.2
375.25507	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	375.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.4
55.01860	6.3
55.05514	9.3
57.03446	14.8
57.07063	5.5
62.53792	1.5
67.05510	31.4
69.03400	1.6
69.07053	7.0
71.08636	100.0
79.05499	30.9
81.03408	5.4
81.07061	19.0
83.04987	10.3
83.08619	2.1
85.06522	4.1
85.61626	1.8
91.05482	46.2
93.07038	22.0
95.04976	8.8
95.08603	14.3
97.06541	12.6
98.20634	3.1
99.08096	70.7
100.87775	1.7
103.05470	2.0
105.03402	3.6
105.07041	21.6
107.04994	4.1
107.08592	8.6
109.06549	3.6
109.10175	3.8
115.05439	5.0
117.07024	38.5
119.08587	25.4
121.06494	9.3
121.10130	3.7
123.08095	7.7
127.11201	4.0
128.06238	7.6
129.05486	5.6
129.07030	13.9
131.08580	14.7
133.10115	7.9
135.08058	4.6
135.11685	2.5
137.09550	4.0
141.07022	9.5
141.12709	2.3
143.08607	16.3
145.10135	10.5
147.04422	3.1
147.08073	3.9
147.11693	3.0
151.11195	37.1
153.12723	6.0
154.07780	3.7
157.10089	7.6
159.11662	4.3
161.09589	7.9
166.07722	3.0
167.08574	2.5
169.10139	11.9
171.11664	4.0
175.11189	2.2
175.14816	1.8
177.12769	2.2
179.14375	2.3
181.10080	2.0
183.11702	2.5
185.13248	10.7
187.11171	12.9
195.11734	2.4
199.14804	2.3
203.14351	9.9
205.16006	1.8
209.13329	2.5
217.15866	15.3
235.16969	2.8
265.19495	2.7
283.20386	3.7
317.96188	1.8
375.25412	15.8
375.36450	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2379
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
55.05512	7.6
57.07049	7.6
64.41823	5.3
67.05499	7.4
69.03419	8.8
69.07065	14.2
71.04993	6.4
79.05486	8.9
81.07061	34.6
83.08621	10.5
85.02902	8.3
85.06535	8.3
91.05475	5.3
93.07037	16.9
95.08617	32.5
97.06541	5.5
97.10159	6.3
99.08089	13.3
105.07011	6.9
107.08614	34.0
109.10139	15.7
121.06529	4.8
121.10161	41.7
125.09634	34.9
135.11722	13.3
137.13234	15.1
149.13167	7.6
166.56131	4.7
177.16391	100.0
190.91150	4.6
195.17473	32.4
213.18510	35.7
273.41965	5.3
352.29721	5.3
375.15109	6.3
388.56049	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	375.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	6.9
55.05510	13.5
57.03424	6.9
57.57190	4.4
65.22881	3.9
67.05509	13.4
69.03426	13.4
69.07074	12.8
71.04992	11.9
71.48156	7.5
77.37042	4.5
79.05493	10.9
81.03431	9.2
81.07072	41.2
83.08653	5.8
85.02906	12.5
85.06537	11.6
91.05467	5.9
93.07033	24.9
93.58195	4.1
95.04916	5.7
95.08601	37.7
97.02874	5.5
97.06534	6.8
97.10160	4.7
99.08119	6.9
105.07017	16.4
107.08598	39.0
109.02893	7.2
109.06563	5.4
109.10155	27.8
119.08569	12.0
121.10158	56.1
125.09647	15.3
127.03944	7.3
133.10168	5.6
135.11705	15.4
137.13260	18.6
142.89621	4.0
149.09700	5.1
149.13261	16.1
169.10191	5.1
175.14815	5.5
177.16408	100.0
178.71388	4.0
195.17494	18.3
211.21663	4.3
213.03889	4.4
257.98038	4.2
282.12802	4.5
369.61313	4.7
375.18503	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2379
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
50.12890	3.4
55.05511	6.7
66.40817	4.5
67.05513	5.9
69.03429	7.3
69.07060	11.2
70.69997	11.2
77.88441	3.7
81.03424	4.4
81.07047	13.7
85.02884	7.2
93.07059	8.0
95.08614	26.5
97.10177	4.9
99.08115	11.2
99.33073	3.9
105.06959	5.6
106.41129	3.5
107.08566	25.6
109.10141	4.8
111.08063	5.9
121.10143	50.8
127.03976	5.3
130.80855	4.0
135.11707	8.9
177.16379	100.0
195.17465	15.9
213.18529	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	375.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22277	0.2
53.03942	1.0
55.01869	0.7
57.03429	0.5
58.11116	0.2
61.02927	0.4
68.99780	0.5
69.03429	2.4
71.00468	0.5
71.04972	0.2
73.02926	0.7
77.49490	0.2
81.03433	3.0
85.02913	3.9
87.00842	2.0
97.02910	1.5
99.04449	1.1
105.01875	1.1
108.98427	0.2
109.02890	2.5
117.01855	0.3
127.03925	100.0
128.04265	0.8
145.04982	1.0
159.02931	1.8
165.19789	0.2
231.05101	0.5
260.11197	0.3
310.81744	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	9.7
57.03437	1.7
59.67843	1.6
70.02963	3.5
70.06607	1.7
71.56086	2.3
72.08160	100.0
78.14559	1.6
81.03432	2.5
85.02910	3.4
87.05598	7.4
89.07153	2.1
90.05543	3.7
91.05838	1.5
96.04488	5.9
98.02444	2.0
99.05593	8.4
99.09236	1.8
109.02879	3.1
110.02412	1.8
113.07124	3.6
119.05078	1.9
127.03927	48.3
127.08646	2.2
141.06593	34.8
141.10242	6.3
147.04425	3.3
151.23712	1.5
152.03474	7.2
152.07077	4.2
158.09216	8.3
169.06094	27.8
169.09747	3.6
186.08755	100.0
186.12271	7.1
189.12361	30.4
199.10802	1.8
205.03423	2.3
223.04536	4.8
223.10777	2.6
226.23729	1.7
240.13454	15.5
252.13400	1.7
257.16098	6.3
285.15604	11.5
286.13870	1.8
341.80435	1.6
351.07199	4.5
357.17706	2.1
374.15097	3.4
374.25912	2.4
375.12695	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92124	1.5
55.01864	2.3
56.57309	1.4
56.96564	8.9
57.03431	1.8
58.99860	2.9
69.03428	3.4
70.01790	7.4
70.99855	6.3
71.04986	3.0
73.01436	1.7
77.00915	3.3
82.99866	3.1
85.02911	11.3
86.99322	2.4
89.00909	2.1
91.02444	3.9
97.02857	5.2
98.20853	1.9
98.97588	19.3
101.00883	52.1
103.02453	3.7
105.00397	1.9
113.00875	8.7
115.02444	19.4
116.98635	7.2
117.04021	1.5
119.01926	100.0
120.02039	2.2
121.51254	1.7
126.98830	7.7
127.03925	4.5
128.98613	2.6
129.00287	2.2
129.03969	3.2
129.29921	1.5
130.93301	3.4
131.01913	26.6
133.01959	1.8
133.03471	48.4
134.99649	2.9
135.04465	1.9
137.02971	11.1
141.00340	2.9
143.01894	14.0
144.98764	3.3
144.99838	41.5
145.03540	12.7
145.04607	2.3
145.99898	1.6
147.01382	6.9
149.02979	12.1
151.04530	4.7
155.01915	3.1
157.03476	3.9
159.01376	15.7
160.12846	1.7
161.02954	20.3
163.00874	5.3
163.03964	6.9
167.04123	1.6
168.01572	2.8
168.99831	35.0
171.01357	8.1
172.94334	5.3
172.99347	15.7
173.02904	13.1
174.99513	2.6
175.00824	13.6
175.04549	2.9
177.00923	13.8
177.02466	21.5
179.00763	1.7
182.99939	2.4
183.01462	1.7
183.05087	2.5
185.02991	5.3
186.99355	2.4
187.00888	53.7
187.02600	3.1
189.00874	2.9
189.02396	16.5
190.95404	3.9
191.00438	10.1
191.02481	2.0
191.03987	13.0
193.02016	2.7
195.03529	4.3
196.99301	9.1
199.00862	18.9
201.00955	3.0
201.02490	12.1
203.00441	5.1
203.02321	2.1
203.04045	6.9
204.97096	2.9
205.01950	19.7
207.03549	3.0
208.96452	2.3
211.00992	2.9
212.98795	5.4
213.02541	2.7
213.04356	4.0
214.95470	1.8
215.00392	51.4
216.98691	4.4
217.01952	36.6
219.01778	25.5
219.03905	13.3
221.01556	3.1
221.05083	4.9
223.01248	3.3
223.03114	3.6
224.98817	2.7
227.00478	8.3
229.02029	22.2
230.99997	5.8
231.03448	4.3
231.05444	4.8
232.96429	5.5
233.01498	3.1
236.99548	2.8
237.02831	3.8
239.00397	2.1
242.99971	10.8
243.01955	2.4
245.01564	10.7
247.00471	3.1
247.03043	53.5
249.04610	3.0
251.02481	2.1
254.99911	11.7
255.05278	2.3
257.01483	6.0
258.99362	2.0
259.03000	3.7
261.04749	2.1
265.04092	17.2
267.00223	3.1
270.04410	2.1
273.00955	11.6
273.06451	1.8
275.02505	7.8
277.04016	3.3
279.05426	3.3
285.01013	6.2
287.02322	2.0
289.03961	2.1
301.00342	16.6
303.01871	3.6
305.03180	4.9
313.02582	3.6
315.01965	41.7
317.03662	3.3
333.03143	24.9
343.01529	21.1
351.04184	2.7
361.02637	20.2
375.03564	7.7
375.09433	2.6
393.05054	3.3
393.10428	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
57.03425	1.4
61.02923	2.6
69.03436	4.5
70.04118	0.6
71.04967	0.7
71.08994	0.9
73.02892	0.7
75.24483	0.7
81.03429	1.4
84.01681	0.7
85.02912	15.3
87.04512	0.6
89.03928	3.9
91.03958	0.7
91.05525	0.8
95.04991	0.8
97.02913	4.2
98.97530	1.0
99.04451	0.7
100.70602	0.7
109.02872	1.3
117.03397	14.8
121.06528	0.8
127.03902	2.2
134.03639	2.3
135.04465	1.8
145.02853	45.5
145.04964	3.5
146.03201	0.9
149.05988	7.6
153.05478	1.5
162.03143	0.8
163.03961	3.5
177.05484	100.0
178.05801	1.1
180.08704	1.1
195.06548	42.8
258.57080	0.7
327.26135	0.7
369.03271	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11451	1.7
53.03943	8.7
55.01866	9.9
55.05486	1.7
57.03423	5.9
59.19954	1.6
60.04490	2.8
61.02908	5.3
68.99805	2.8
69.03088	2.1
69.03434	32.5
69.07031	1.7
69.72576	11.2
71.04977	4.6
73.02904	7.6
77.92744	1.6
79.05489	1.9
81.03417	33.2
85.02906	100.0
86.99586	1.6
87.00833	31.0
91.03963	4.5
93.07035	1.8
97.02898	47.2
98.20755	3.5
99.04448	15.0
103.03947	3.9
105.01875	33.8
108.04487	6.9
109.02877	28.8
109.06497	2.7
117.01857	3.6
126.05474	4.5
127.03919	85.6
128.04211	2.9
129.01843	3.4
145.04973	47.6
147.02840	4.1
159.02910	27.3
166.59273	1.9
175.07492	1.7
177.03992	1.8
180.06485	4.4
189.03912	4.1
197.36847	2.1
199.07506	2.5
213.03880	3.1
217.08672	3.1
231.05057	15.8
245.61424	1.7
248.07631	3.5
293.21896	2.2
356.04547	1.9
374.18353	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	374.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.7
55.01884	4.5
57.03442	2.4
61.02911	2.6
61.48455	0.7
63.90068	0.8
65.03940	2.7
66.57603	0.9
68.99793	1.2
69.03432	18.0
70.06585	1.2
70.10233	3.8
71.04989	3.4
73.02914	3.8
79.05469	1.1
81.03427	12.4
81.07092	1.0
84.04514	1.8
85.02906	46.1
86.09703	4.7
87.00835	20.3
91.05484	100.0
92.05823	1.6
97.02901	14.8
98.06046	1.0
98.20824	1.2
99.04482	5.1
99.05024	0.9
105.01868	28.1
105.07050	2.4
108.04494	1.6
109.02891	13.0
117.01881	1.0
117.07067	0.9
119.04952	0.9
124.19092	0.9
127.03918	34.1
129.01869	1.9
129.06984	1.6
132.10239	1.3
133.06555	1.1
137.05992	1.6
145.04973	13.5
145.06474	2.4
147.04416	1.1
151.03937	1.0
156.02113	0.9
159.02888	6.7
163.03976	1.5
171.03000	1.0
175.07484	1.5
177.03944	1.0
178.04990	3.1
179.05228	1.1
180.06607	3.4
189.03984	2.9
195.06604	1.5
199.07582	2.3
201.05611	1.3
202.05875	1.9
206.48978	0.8
213.04007	1.6
215.13953	1.0
217.08733	1.2
231.05049	9.9
248.07585	0.9
249.05865	1.6
326.10934	1.1
374.20062	0.9
381.08124	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77770	0.9
57.03416	1.6
61.02924	1.7
69.03414	3.6
69.76517	0.8
70.08002	3.3
71.05006	1.7
81.03402	2.8
85.02909	15.3
89.03914	5.8
97.02891	4.2
99.04446	1.7
103.97422	0.9
109.02876	0.9
117.02623	1.2
117.03385	17.9
121.06594	1.2
127.03931	2.5
134.03644	1.6
135.04407	2.1
145.02855	45.7
145.04955	4.2
149.05984	7.3
153.05490	1.0
162.03113	1.1
163.03928	3.6
177.05481	100.0
180.06563	4.1
180.08694	2.2
186.64131	0.8
195.06537	44.8
256.74805	0.9
281.97745	1.0
286.11945	1.1
323.27435	0.9
374.15155	4.3
374.18933	1.2
375.15735	1.5
382.15671	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2377
Annotation	Xysmalogenin
Peak:m/z	Relative Intensity
53.03935	5.0
55.01880	2.5
55.05509	13.5
67.05504	27.3
69.03429	4.4
69.07065	9.3
71.56553	3.6
79.05500	37.1
79.44920	2.5
81.03435	3.5
81.07057	41.5
83.08624	8.8
85.06534	6.2
91.05484	35.2
93.07056	44.7
94.13479	2.8
95.04969	11.1
95.08608	39.1
95.22913	2.5
97.02902	2.8
97.06529	9.5
100.11296	2.7
105.07041	52.4
107.04977	8.9
107.08606	43.9
109.06538	12.4
109.10150	19.4
111.04477	7.3
111.08084	4.1
117.07023	9.7
119.08601	37.0
121.06519	7.1
121.10157	37.2
123.11733	5.1
125.06009	64.0
125.09664	5.6
128.11493	3.0
129.07021	13.3
130.32298	2.7
131.08582	30.9
133.06538	4.8
133.10143	28.9
135.08063	6.6
135.11685	17.3
137.09615	4.6
137.59767	2.7
139.03918	6.4
139.07585	2.7
141.07028	7.2
142.07796	4.9
143.08595	19.7
145.06464	2.8
145.10130	32.8
147.04414	3.7
147.08034	5.0
147.11687	24.9
149.09581	4.0
149.13257	7.9
151.07536	3.4
153.05481	53.5
155.03436	3.2
155.07042	21.2
155.08542	11.2
157.10117	19.4
158.43408	2.5
159.08066	5.1
159.11703	40.6
161.09616	6.6
161.13329	13.0
165.06902	2.8
167.07115	3.9
167.08606	3.4
169.10133	7.4
171.11723	10.3
173.09630	3.9
173.13280	14.7
175.14842	20.2
177.09132	3.7
181.08714	3.7
181.10179	5.8
183.11684	14.3
185.13304	18.7
187.14832	11.4
189.09146	5.4
189.12692	3.5
189.16408	7.7
191.10698	3.2
193.08678	4.2
193.10249	3.2
195.11734	10.6
197.09656	3.2
197.13261	12.8
199.11211	4.5
199.14864	13.9
201.12758	4.6
201.16399	26.8
203.10689	4.2
207.11855	4.5
209.13322	8.8
211.09682	8.6
211.14787	5.9
213.16423	4.1
215.18002	7.8
219.13777	4.2
221.13248	5.3
223.14824	5.9
225.16440	3.7
227.10634	4.7
229.12296	5.7
231.13701	3.1
235.14886	6.7
237.12747	3.2
243.13965	3.9
247.13409	3.5
251.17973	3.5
253.19638	5.5
255.13809	8.0
277.19513	9.8
281.15402	5.8
291.21176	11.3
293.22806	2.8
295.20447	4.2
307.19739	2.9
309.18753	3.3
309.22122	9.3
319.20572	10.5
320.99142	2.9
337.21600	70.6
355.15823	4.6
355.22720	100.0
373.19559	3.0
373.23810	45.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24916	3.8
53.03944	3.7
55.01858	5.1
55.05499	5.7
55.14638	3.1
57.03429	6.2
62.98114	3.6
65.03945	4.3
67.05502	9.1
69.03436	23.0
69.07072	3.8
70.06575	3.4
71.05000	6.2
71.55667	5.5
72.40041	3.4
79.05492	16.2
81.03412	11.0
81.07053	9.5
83.04985	8.9
84.08133	5.2
85.02910	31.5
86.09724	6.2
91.05456	23.3
93.07050	21.3
95.04959	8.9
95.08591	5.4
96.88947	3.7
97.02878	30.2
97.06474	6.2
105.07054	22.7
107.04956	5.5
107.08603	10.9
109.02883	10.6
109.06509	18.6
109.10149	7.4
115.05477	8.8
117.07037	4.1
119.04951	6.3
119.08597	10.4
121.06503	5.7
121.10147	5.0
123.04409	4.8
125.06005	7.9
127.03929	12.6
131.08566	7.2
133.09251	4.4
133.10153	49.5
133.28455	3.5
135.08029	4.2
137.02371	4.1
137.05986	48.8
143.04919	8.2
145.05048	4.3
145.06537	4.6
146.03601	4.7
147.04431	7.8
147.08006	4.5
147.11670	14.3
149.05963	11.2
149.09637	9.1
150.11476	4.8
151.03848	5.9
151.07503	5.3
151.11194	100.0
153.07063	4.5
155.07036	4.5
161.05981	20.7
163.07610	7.0
165.05647	3.8
165.07004	14.5
173.05920	7.0
175.07507	7.7
175.11203	4.4
177.05469	5.4
178.07796	4.7
179.06975	4.3
179.08482	5.3
181.06522	10.6
189.05377	3.9
190.54338	3.4
191.08676	6.9
193.06490	10.3
193.12115	25.9
193.15634	3.9
194.07253	5.7
201.05489	34.3
207.08119	6.1
210.06764	7.9
211.13350	20.8
213.09135	8.5
219.06381	4.2
221.05948	16.4
222.06517	4.0
223.07623	5.4
225.07030	3.6
225.08958	17.3
234.06914	4.6
235.07602	5.0
241.08597	4.4
248.28963	3.5
249.09053	6.8
253.08578	39.8
265.08636	9.9
267.10229	6.2
269.08197	4.1
277.08704	6.8
279.10159	4.3
281.08127	11.0
285.11273	12.7
293.07983	5.7
295.09927	5.8
299.12708	8.6
307.09564	9.3
310.12012	7.9
313.10751	28.2
316.21939	3.8
317.63998	4.2
323.09094	8.8
325.10703	16.6
336.74640	3.5
343.11618	9.8
355.11804	26.1
355.17273	16.8
373.13019	23.9
373.18298	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	373.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.6
67.05491	2.7
69.03438	3.5
69.07063	3.1
70.82466	3.8
81.03400	2.9
81.07075	10.0
85.02914	11.0
91.05472	4.7
93.07059	9.3
95.08601	14.9
96.68654	1.9
97.02910	4.0
99.08082	5.7
101.31757	2.2
105.07030	12.2
107.08600	9.0
109.02888	2.5
109.10116	3.8
119.08594	48.1
121.02882	4.7
123.11742	3.6
127.03867	2.3
133.10135	61.5
134.10497	2.3
135.11722	12.4
147.11725	3.0
151.11073	2.6
158.09689	2.9
158.61024	1.9
175.14844	100.0
180.06583	3.5
187.09991	6.1
188.10732	2.7
193.15932	7.8
201.05464	6.5
211.17030	5.7
325.10669	2.5
373.12924	5.1
373.17682	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	373.2222
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
55.05503	6.5
57.07066	2.7
57.65598	1.8
60.54375	1.9
67.05510	11.9
69.03431	9.6
69.07076	4.1
71.04987	5.8
79.05481	2.3
81.03419	2.6
81.07077	11.2
81.56900	2.0
82.93871	1.9
83.08629	4.7
85.02921	20.1
85.06551	6.2
91.05453	2.1
93.07061	11.3
95.04998	9.1
95.08608	19.7
97.02882	6.8
97.06495	2.9
98.21570	3.0
99.04485	3.6
99.08102	100.0
102.23730	2.5
105.07040	5.6
107.08616	10.1
109.02883	2.7
109.06535	2.5
109.10155	24.1
111.08103	4.8
119.08626	12.4
121.10146	5.9
123.08102	3.8
123.11732	4.9
125.09679	2.8
127.03922	3.9
133.10120	8.0
135.11713	14.3
137.09616	13.1
153.12685	2.3
155.10692	13.1
159.10770	1.8
175.14847	15.9
190.08633	1.9
193.15904	24.9
209.11781	2.2
211.16960	56.2
327.05350	2.1
337.47015	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12483	2.6
53.03946	4.1
55.01871	12.3
55.05505	6.2
55.96460	2.9
57.03441	5.6
57.50926	2.7
59.04988	2.4
61.02934	4.6
67.05508	18.0
68.99800	6.8
69.03427	21.0
71.01365	3.4
71.04999	39.0
79.05487	11.9
80.43623	3.0
81.03426	26.1
81.07049	11.8
83.04981	9.7
85.02913	41.1
87.00838	12.9
91.05481	23.5
93.07069	21.8
95.04977	36.4
95.08607	16.1
97.02906	12.2
97.06515	3.7
98.20715	8.1
99.04460	6.2
103.03933	4.2
105.01859	4.1
105.03387	3.2
105.07050	13.9
107.04983	7.8
107.08607	39.1
109.02890	20.7
109.06532	13.3
109.10156	16.4
111.04474	9.4
115.03957	7.3
117.07015	6.6
119.04844	2.8
119.08593	22.2
121.06536	26.3
121.10149	7.3
123.04440	11.7
123.08092	19.7
125.09638	17.6
127.03886	13.4
129.01839	6.8
131.08560	5.4
133.06454	3.3
133.10118	4.3
135.08066	13.2
137.05992	15.9
137.09631	100.0
141.09137	7.9
143.08521	4.8
143.10663	3.2
145.05017	2.6
145.06480	4.3
145.10106	7.8
147.04402	3.2
147.08116	7.5
149.09644	9.3
151.07529	3.8
155.08636	2.7
159.02917	4.3
161.06100	3.5
161.09654	3.1
163.07591	13.8
163.11287	5.2
165.05481	14.3
165.09277	5.6
167.10666	23.9
173.09624	10.6
175.07669	3.4
179.10727	10.2
187.11209	3.1
189.04010	4.3
189.09239	3.2
191.10719	32.9
205.12268	9.6
209.11778	32.6
213.03932	6.3
213.39644	3.2
215.10693	8.7
229.69171	4.0
233.11737	64.3
251.12715	18.9
287.64984	3.1
315.54465	2.6
337.12915	4.5
355.13904	7.7
372.34595	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	373.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.8
55.05530	4.2
56.43696	3.0
57.03413	3.6
67.05501	5.8
69.03425	18.1
69.07055	5.9
70.06566	2.9
71.04996	5.0
71.05522	4.0
71.05879	7.4
79.05502	5.3
81.03395	10.4
81.07043	12.2
83.04987	7.1
85.02905	22.3
86.09699	5.6
91.05469	21.7
93.07036	24.5
95.04966	8.5
95.08611	7.0
95.52756	2.8
97.02911	20.0
99.04471	3.8
103.05484	4.6
105.07033	21.0
107.08583	7.6
109.02832	4.5
109.06514	14.1
109.10153	7.7
111.08082	4.9
111.66489	3.0
115.05442	5.7
119.04933	4.8
119.08583	14.4
120.08110	3.5
121.06533	7.3
123.08101	4.3
125.05952	7.2
125.09655	3.6
127.03924	10.4
131.08568	10.4
133.06464	5.4
133.10121	44.8
137.05980	39.4
141.99007	2.9
145.04950	7.1
146.03590	3.9
147.04437	6.0
147.11681	19.6
149.05960	10.4
151.07574	6.3
151.11180	100.0
155.07025	5.1
157.10109	4.1
161.05901	14.4
163.07536	5.5
165.06990	11.0
165.12700	4.4
173.05949	5.6
175.07555	6.3
175.11171	7.7
179.08461	5.2
181.06474	8.0
189.07100	4.8
191.08580	3.5
193.06471	6.5
193.12175	24.5
198.06837	3.2
201.05457	24.9
206.07219	5.2
210.06793	5.9
211.13277	29.4
213.09109	5.0
219.08116	7.1
221.05968	9.9
222.06752	5.0
223.07486	3.8
225.09109	11.7
239.10619	3.5
241.08475	6.2
250.06195	3.6
253.08647	24.3
265.08658	3.8
269.08261	5.0
277.08609	3.6
281.08057	11.1
285.11227	13.3
295.09506	5.7
299.12738	8.4
301.10809	4.2
310.12128	3.9
313.10745	24.4
315.13977	3.3
323.09192	13.5
325.10605	14.0
341.10300	5.1
343.11746	5.2
355.11914	23.0
355.17401	22.2
373.13232	17.9
373.18311	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	371.2427
Annotation	20-hydroxytrioxilin A3
Peak:m/z	Relative Intensity
52.45176	1.7
55.01864	2.9
55.05505	14.8
57.07065	8.8
59.04987	2.1
67.05505	23.4
69.03419	4.8
69.07057	15.0
70.90336	3.0
70.90652	2.7
71.04978	7.5
73.04750	2.7
79.04290	2.2
79.05484	9.0
81.03439	2.0
81.07060	33.9
83.04979	9.5
83.08616	8.6
85.02903	4.7
85.06535	24.7
91.05479	6.8
93.07042	30.3
95.04967	7.1
95.08606	100.0
97.02888	3.3
97.06529	10.8
97.10191	2.9
98.21436	2.1
99.04459	6.1
99.08089	5.9
100.11258	7.6
101.06001	6.1
105.07030	14.9
106.60168	2.0
107.08588	26.8
108.45653	2.1
109.06528	4.7
109.10145	22.6
111.04463	5.0
111.08081	41.3
113.05982	10.2
113.09631	9.4
118.59862	1.9
119.08611	5.6
121.06525	2.2
121.10148	14.0
123.08057	18.6
123.11668	9.9
125.09626	3.7
129.05479	2.8
131.08562	5.3
133.10141	27.1
135.11688	13.7
137.09610	5.0
137.13254	3.9
139.07579	2.3
139.11186	6.8
139.46092	2.2
141.09113	22.9
145.10121	3.9
147.11671	7.9
149.09650	5.8
149.13261	13.9
151.07541	16.7
151.11177	15.7
153.09108	2.0
153.12733	12.7
153.15462	2.1
157.08586	5.1
159.10150	3.4
159.11620	4.0
161.09586	2.6
161.13284	2.6
163.14690	2.3
165.09096	3.2
165.12837	3.7
167.14238	4.3
169.08621	6.2
169.12270	4.6
171.13818	6.3
173.13254	8.3
175.11116	3.1
178.04997	31.9
181.12325	4.3
182.15486	4.0
187.09657	12.7
191.14304	11.7
196.06024	2.8
196.63211	1.9
204.13863	2.5
209.15326	4.8
210.14952	3.0
227.17676	2.8
254.55353	2.0
271.20642	3.2
289.21573	7.2
307.22620	7.5
317.21173	3.0
323.22278	4.6
335.22205	17.4
340.25830	2.3
343.30707	2.5
353.23212	13.9
362.27173	3.5
382.09454	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22987	0.6
53.03940	0.7
55.01870	1.6
55.05294	0.8
55.05515	7.5
57.03437	1.1
57.07064	2.4
58.96436	0.6
67.01859	1.2
67.05517	4.9
68.99787	7.3
69.03424	1.3
69.07074	13.9
71.04983	1.0
71.08627	0.9
71.32382	0.7
71.32738	1.5
79.05495	2.4
81.06631	0.9
81.07062	8.6
83.04969	2.7
83.08614	8.3
85.06543	0.8
88.91671	0.6
93.07062	5.1
95.08620	5.0
97.02876	0.9
97.06548	3.5
97.10178	3.2
105.07030	0.8
107.04956	1.1
107.08606	6.0
107.50002	0.6
109.10155	2.0
110.28647	0.6
111.00810	20.6
111.04433	4.4
111.08060	2.5
113.02347	0.7
113.05994	0.6
119.08587	0.8
121.06467	1.2
121.10151	5.5
123.08146	0.8
123.11715	1.6
125.05995	2.0
125.09644	3.2
126.03155	1.0
127.03927	7.7
131.04030	0.6
131.05106	0.7
131.08569	0.9
133.10094	0.9
135.08058	1.7
135.11729	1.2
137.09596	0.9
139.03902	14.6
139.07529	1.5
139.11151	0.6
142.55347	0.6
147.11644	0.8
149.09598	1.1
149.13248	4.0
151.07555	1.1
151.11110	0.8
153.05415	1.1
153.09111	1.9
159.11702	1.2
161.13283	0.7
163.14793	3.5
167.07037	1.7
167.10622	0.9
171.10201	0.8
173.13298	1.7
181.08575	1.9
191.14296	2.4
195.10127	2.6
209.11786	1.7
209.15366	8.8
222.54860	0.6
227.16396	2.7
233.15497	0.9
251.16438	33.7
252.16792	1.3
279.15921	100.0
280.16309	3.1
353.19601	17.9
353.23907	1.1
362.24075	0.6
363.56445	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2066
Annotation	CHEBI:66791
Peak:m/z	Relative Intensity
50.58639	2.4
53.03952	2.5
55.05516	10.8
55.92497	2.0
57.03419	3.1
57.07073	4.6
60.49279	2.8
67.05503	6.5
68.99788	5.4
69.07078	17.5
69.38810	10.2
69.39238	8.5
71.08627	3.0
79.05487	7.7
81.07067	14.4
83.04969	6.3
83.08643	10.8
85.02898	2.9
91.05461	3.2
93.07047	11.5
95.08610	11.1
97.06507	6.7
97.10163	5.1
105.07000	4.5
107.08583	10.7
108.66437	2.3
109.10141	5.5
111.00812	21.0
111.04440	3.7
116.79811	2.3
119.08586	2.8
121.06525	4.2
121.10135	8.1
123.08064	2.2
125.09591	3.4
127.03912	9.4
129.05496	3.3
131.08594	3.5
133.10115	6.2
135.08032	4.0
135.11725	3.5
139.03896	12.6
145.10139	3.6
147.06462	3.0
149.09595	2.5
149.13271	5.4
153.05566	3.1
163.14761	4.7
169.64096	2.6
175.26901	2.2
181.15984	2.6
195.10176	3.0
209.15393	8.1
251.16530	27.2
279.15936	100.0
280.16199	3.3
335.22012	2.9
353.19632	21.4
355.07202	2.4
371.15439	4.2
371.25790	4.4
371.30048	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	371.2065
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03968	7.4
55.01870	7.8
55.05516	29.6
57.03450	6.2
57.07049	6.3
59.05001	8.4
61.02930	12.6
67.05509	21.8
68.98241	6.4
69.03433	33.7
69.07047	9.0
70.74501	11.7
70.74836	8.2
71.04978	9.7
79.05495	10.5
81.03415	19.7
81.07056	17.6
81.69439	5.5
83.04999	23.1
83.08623	6.4
85.02903	73.8
85.06528	18.2
87.04445	8.0
89.06038	16.1
91.05489	17.4
91.25829	5.2
93.07061	28.0
95.04985	6.9
95.08598	19.6
97.02888	28.8
97.06536	12.1
99.04462	17.9
99.08121	7.4
101.06019	60.9
105.07049	20.6
107.05003	5.6
107.08626	38.1
109.02887	12.3
109.06512	26.8
109.10108	31.3
119.08591	17.9
121.06530	10.7
121.10168	40.7
123.08046	8.4
123.11718	12.8
127.03914	21.1
131.08568	30.1
133.10118	44.3
135.11703	8.0
137.09615	47.3
143.08549	6.2
145.04971	8.4
149.09631	34.1
149.13223	10.5
151.11166	40.1
160.97571	6.7
163.14822	48.4
173.13278	38.9
178.04976	19.5
191.14314	100.0
209.15390	52.9
336.80533	6.6
371.16467	6.4
371.20624	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	371.2065
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03943	3.3
55.01871	2.3
55.05505	5.0
56.64054	1.6
57.03429	1.6
58.64547	1.5
61.02903	2.4
67.05510	13.2
69.03429	10.3
69.07048	3.8
69.48537	7.0
69.48953	3.6
71.04987	3.3
76.40735	1.6
79.05497	3.3
81.03416	8.3
81.07045	6.6
83.04974	3.5
85.02905	21.5
85.06535	2.3
87.04465	2.5
91.05473	5.4
93.07041	11.9
95.04968	5.4
95.08611	85.4
97.02879	6.2
97.06540	17.4
99.04457	3.7
104.04985	3.6
105.07032	12.6
107.08603	12.9
109.02875	4.4
109.06496	2.6
109.10159	13.1
111.04350	1.5
111.08067	2.7
117.07041	2.5
119.08585	5.4
121.06505	2.9
121.10140	13.3
123.08028	5.0
123.11708	6.2
125.09612	2.7
127.03931	3.9
131.08580	7.7
133.10133	100.0
135.08051	6.3
143.08508	2.2
145.04965	4.4
145.10109	5.5
147.04436	2.7
147.11662	4.9
149.09593	5.4
149.13219	4.8
151.11171	13.6
158.10899	3.6
163.14809	6.4
164.80022	1.5
165.12779	1.9
173.13290	29.8
178.04999	66.7
184.23509	1.5
191.14313	52.2
191.16060	2.7
196.06036	2.9
209.15353	13.8
211.34543	1.5
242.44545	1.6
285.01013	2.0
371.16479	3.5
371.20682	2.2
381.32751	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2067
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03941	11.2
55.01885	6.3
55.05518	34.9
57.03439	10.6
57.07071	13.8
59.04987	7.7
61.02919	9.8
61.03888	2.9
67.05515	16.4
69.03435	46.9
69.07074	23.9
70.06584	4.2
71.05007	6.9
71.22620	6.2
73.02921	5.4
73.04776	4.8
74.83846	2.8
77.81422	2.9
79.05498	13.8
81.03428	24.2
81.07066	53.1
83.04975	38.2
83.08627	21.9
85.02912	100.0
85.06567	15.5
87.04519	4.9
87.87339	3.3
91.03983	3.5
91.05427	6.8
91.05859	7.9
93.07066	30.8
95.04978	14.2
95.08646	15.5
97.02903	39.5
97.06543	8.6
99.04447	16.8
99.08086	7.5
101.06019	46.3
103.03982	3.8
105.07036	17.3
107.04967	6.2
107.08606	50.1
109.02903	42.4
109.06531	37.2
109.10173	35.0
109.40070	2.9
111.04427	7.6
111.08086	11.0
117.07045	6.8
119.08578	19.3
121.06528	9.3
121.10155	47.5
123.08042	10.1
123.11723	19.6
125.05969	3.1
125.09657	5.2
125.13319	3.4
127.03938	51.4
131.08560	21.6
133.10150	20.8
135.04425	4.4
135.08084	11.3
135.11717	12.9
136.06201	12.3
137.09651	25.7
139.11206	5.3
145.05000	15.0
145.06503	9.6
145.10141	10.7
147.06567	3.2
147.08031	3.9
147.11697	7.0
149.09627	28.4
149.13275	31.2
151.11209	24.2
153.05476	9.3
153.09119	7.6
163.03931	19.1
163.07573	21.0
163.14827	24.3
167.14336	33.4
173.13266	28.2
178.04999	40.6
181.12286	6.2
187.06032	8.8
191.07083	15.0
191.14320	64.6
194.02219	6.5
195.06482	4.0
203.03464	5.8
205.07027	15.0
209.04506	9.9
209.08188	8.8
209.15378	62.2
237.11050	4.8
239.11308	5.4
249.09737	3.4
321.64944	3.3
333.02792	3.5
371.16681	6.4
371.20734	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2065
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
52.27221	2.5
55.05514	2.8
56.18782	3.1
67.05497	6.1
69.03424	9.5
69.07063	7.3
70.62830	6.2
73.50998	2.8
79.05464	4.7
81.03397	3.0
81.07042	13.5
83.05001	3.1
85.02911	11.8
85.06514	3.7
88.85179	2.8
91.05471	12.2
93.07059	14.7
95.04987	5.9
95.08604	10.1
97.02936	4.3
97.06538	15.9
99.08094	8.3
105.07030	24.9
107.08593	6.7
109.02816	3.1
109.10100	3.4
111.08102	6.7
119.08556	9.6
121.10143	6.2
131.08586	26.3
133.10138	100.0
135.08047	3.9
140.07666	3.2
145.10150	10.7
147.11687	6.3
149.09644	6.1
149.13303	3.7
150.25726	2.8
153.09135	6.6
158.10899	7.4
173.13287	89.5
191.14316	57.3
209.15369	8.0
355.16058	3.0
371.19836	9.8
394.97675	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	371.2064
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03943	6.9
55.01864	9.4
55.05510	33.0
57.03422	9.1
59.04982	2.7
61.02921	9.5
65.03927	2.5
67.05496	9.4
69.03431	44.7
69.07069	10.5
71.04981	7.2
73.02911	8.7
76.52620	2.4
79.05483	6.6
81.03413	14.9
81.07045	9.4
83.04986	60.8
83.08620	36.3
85.02908	61.9
85.06538	4.5
87.04475	6.2
91.03960	5.6
91.05453	4.9
93.07049	13.4
94.73911	2.1
95.04975	61.0
95.08616	13.3
97.02893	24.9
97.06540	10.8
97.10227	2.7
98.21511	4.4
99.04471	17.2
103.03948	9.0
105.07019	6.9
107.05016	2.7
107.08595	18.1
109.02878	9.3
109.06512	7.0
109.10143	16.1
111.08085	9.3
113.06071	2.6
119.08570	7.9
121.06499	4.7
121.10109	12.8
123.04482	2.6
123.08099	10.6
123.11711	9.4
125.05994	7.7
125.09631	8.7
127.03929	12.6
129.05504	2.7
131.08488	2.8
133.10135	7.9
135.08095	4.4
135.11682	3.7
137.05980	3.5
137.09605	3.9
139.11186	27.1
145.04921	6.6
145.10068	2.6
147.08005	3.4
149.05933	3.4
149.09567	3.2
149.13231	3.7
151.11183	31.0
153.09128	19.4
161.09627	4.1
163.11177	4.1
167.06958	3.1
167.14301	37.7
169.12180	2.7
173.09663	2.8
173.13214	4.7
175.11217	2.9
181.12251	49.1
185.08070	7.2
189.12805	2.5
191.14267	5.7
195.10152	4.3
209.15370	100.0
224.08202	2.6
233.15421	10.3
246.50795	2.3
249.14780	2.9
263.16428	4.8
335.18210	2.7
371.20840	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15111	0.9
54.08253	1.1
55.01878	1.1
55.05506	1.9
56.49612	0.9
61.02925	1.4
66.34345	1.0
67.05495	2.0
69.03426	4.0
71.04967	1.1
79.27280	0.9
81.03440	2.3
81.07051	1.8
83.04945	1.0
84.08134	2.7
85.02922	13.6
91.05422	1.7
91.05850	1.3
93.07048	5.2
93.07537	1.2
94.00552	0.9
95.04972	1.9
95.08609	2.4
97.02880	2.4
97.06535	1.0
101.06011	2.1
105.07018	2.9
107.08585	1.7
108.64483	1.1
109.02877	1.4
109.10131	2.7
111.04449	1.4
113.39034	0.9
119.08588	2.0
121.10148	4.9
127.03928	2.6
133.10170	1.3
135.08051	2.3
137.09586	1.9
145.04951	2.2
147.11737	1.4
149.09628	100.0
150.09953	1.2
161.09592	1.2
173.13287	1.3
191.14311	19.0
209.15375	4.3
227.57254	1.0
229.60394	0.9
251.16470	1.0
289.73590	1.2
371.16461	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	370.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66676	1.9
52.43587	1.9
53.03946	10.4
57.03418	2.6
62.07524	2.0
67.05503	11.3
68.99796	4.0
69.03433	27.2
70.36636	5.7
79.05510	2.0
81.03426	37.5
85.02909	37.7
85.28702	2.0
87.00832	7.6
92.15777	2.1
92.41489	2.1
94.06604	2.3
95.04963	7.8
96.04510	2.9
97.02901	3.4
109.02911	13.3
115.69515	2.0
122.06033	4.0
122.09576	2.2
127.03912	6.7
140.07083	16.1
143.80748	2.3
150.09116	2.1
152.07083	100.0
171.49947	2.2
178.08623	5.8
189.03972	5.1
192.10231	8.1
202.08696	3.7
205.07375	2.1
206.08118	7.4
220.09720	15.2
248.09203	73.1
334.09195	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	369.2425
Annotation	Neurymenolide A
Peak:m/z	Relative Intensity
51.02386	0.5
51.97757	0.4
53.03947	1.0
55.01881	3.1
55.05513	8.5
57.03427	1.0
57.07072	1.2
59.04998	0.6
63.97322	0.4
65.03938	0.7
67.05171	0.8
67.05510	12.6
69.03432	2.2
69.06733	0.6
69.07077	8.0
69.31683	3.8
71.04993	1.8
73.06560	0.5
78.82824	0.4
79.05055	0.6
79.05499	9.9
81.03421	7.1
81.07062	12.3
83.04979	2.4
83.08624	3.6
85.06545	1.2
87.98741	0.4
91.05485	11.5
93.07051	9.7
95.01316	0.7
95.04974	7.0
95.08048	0.6
95.08614	8.0
97.02869	0.6
97.06519	1.6
97.10181	2.1
98.20716	0.8
102.07149	0.4
103.05468	1.2
105.04497	0.6
105.07038	11.5
107.04971	4.2
107.08609	5.0
109.02898	0.7
109.06526	1.7
109.10173	3.3
111.04443	0.9
111.08060	0.9
115.05418	2.5
116.06236	0.5
117.07024	7.5
119.04917	0.8
119.08588	7.7
121.06528	2.2
121.10155	3.2
123.04429	1.0
123.08066	1.2
125.09625	0.7
128.06221	6.0
129.07010	10.9
130.07784	0.8
131.04962	1.7
131.08583	10.0
133.06471	2.6
133.10136	4.4
135.08066	1.6
135.11678	1.5
141.06993	6.7
142.07759	3.9
143.08569	13.4
144.05690	0.8
145.06482	4.7
145.10133	7.3
147.04398	0.9
147.08101	2.1
147.11737	2.7
149.05992	0.5
149.09608	1.2
152.06212	0.9
153.07039	3.3
154.07809	2.4
155.06042	0.6
155.08556	9.6
156.09349	1.9
157.06516	7.2
157.10133	9.5
158.07254	0.9
158.10974	0.5
159.08058	4.2
159.11702	4.8
161.05974	0.5
161.09621	2.2
161.13264	1.4
163.11319	0.7
165.07030	2.8
166.07796	1.4
167.08588	6.3
168.09306	1.4
169.06525	2.3
169.10150	8.4
170.07230	2.1
170.10806	0.5
171.08055	9.7
171.11696	7.9
172.08820	0.8
173.06021	0.6
173.09639	3.2
173.13245	2.9
175.07478	1.2
175.11160	1.2
177.09195	0.5
177.12714	0.4
178.07770	0.6
179.08556	3.3
180.09361	1.2
181.06543	0.7
181.10146	5.6
182.07344	0.7
182.10873	0.9
183.08073	6.1
183.11685	6.8
184.08853	2.8
184.12370	0.7
185.09642	9.3
185.13274	4.4
186.10303	1.1
187.07596	2.0
187.11180	3.2
187.14835	1.0
189.09271	0.5
189.12709	0.6
193.10161	2.8
194.10966	0.9
195.08083	1.2
195.11690	5.2
196.08839	0.8
196.12503	0.5
197.09651	6.6
197.13280	4.9
198.10403	1.9
199.11211	6.0
199.14865	2.6
200.11890	0.7
201.09076	1.5
201.12796	1.4
203.10658	1.0
205.12354	0.5
207.11746	2.6
208.12300	0.5
209.09659	0.4
209.13222	3.4
210.10378	0.4
211.11172	5.2
211.14766	2.1
212.12015	2.0
213.09158	0.5
213.12752	7.3
213.16328	0.9
215.10620	0.6
215.14333	0.7
221.13293	2.0
221.15236	0.5
223.11221	0.5
223.14828	2.6
225.12784	4.6
225.16353	1.5
226.13469	1.6
227.14299	4.8
227.17932	0.7
229.12315	1.1
231.13792	0.9
233.13261	0.6
235.14828	1.5
237.16414	0.7
239.14250	2.5
241.15874	1.6
243.13773	1.1
249.16354	0.8
251.14281	0.8
253.15843	2.3
255.17526	0.8
257.15494	1.0
257.19012	0.6
259.20712	0.6
263.14337	0.5
263.17987	0.6
267.17496	0.8
269.15405	0.6
271.17038	0.6
271.20578	0.5
283.16992	0.6
285.18387	0.7
287.20029	1.2
291.17502	0.6
291.20969	0.8
295.17242	0.6
295.20456	0.5
297.22321	0.6
299.16428	1.2
299.19946	0.5
299.23749	0.7
305.22672	1.3
309.18549	0.9
309.22076	1.9
313.18033	0.8
313.21555	0.6
323.23602	4.0
325.21606	1.0
327.19614	0.7
327.23233	1.9
333.22055	2.4
341.21085	0.8
341.24823	5.9
351.23187	21.0
352.23410	0.5
369.24255	100.0
370.24680	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	369.1911
Annotation	Punctaporonin C
Peak:m/z	Relative Intensity
50.65097	2.2
55.01868	4.9
55.05511	15.4
57.03454	2.0
57.07070	4.7
59.33064	1.8
67.05515	14.3
67.05813	2.7
68.99781	8.9
69.03420	2.7
69.07072	24.7
71.04972	3.6
71.56979	2.8
79.05517	13.8
81.03426	7.0
81.07056	27.2
83.04975	8.1
83.08624	16.8
85.02908	5.5
91.05481	10.8
93.07056	20.1
95.04959	5.2
95.08617	20.5
97.02893	6.4
97.06516	7.8
97.10184	4.5
105.07041	12.8
107.04960	6.1
107.08591	18.6
109.02895	16.1
109.06531	5.8
109.10157	11.6
111.00802	28.2
111.04430	9.5
111.08108	5.4
115.05437	2.2
117.07010	5.4
119.08581	14.9
121.06503	6.2
121.10127	11.8
123.04478	3.2
123.08099	2.6
123.11731	4.7
125.06007	2.8
125.09644	5.6
127.03914	11.6
129.07008	3.0
131.08604	4.1
133.06461	5.3
133.10150	10.4
135.08090	4.3
135.11697	7.8
137.09596	3.1
139.03905	25.7
139.07550	5.3
143.08577	3.0
145.10100	4.2
147.08058	6.9
147.11670	5.0
149.09676	3.1
149.13268	5.6
151.07558	7.0
153.09177	3.8
157.10114	2.7
159.11732	2.2
161.13277	5.0
163.14850	4.4
165.09109	4.1
171.11589	3.5
173.13199	4.4
175.14832	11.9
177.12683	2.3
181.08546	4.0
185.13225	4.2
191.14304	3.2
195.10153	3.6
203.14255	3.3
209.11745	5.2
209.15372	7.0
221.15411	5.0
227.16400	4.2
249.14922	4.3
251.16454	38.5
267.15952	15.1
269.22150	2.9
279.15933	100.0
280.16321	2.9
287.16571	3.3
295.18918	2.6
305.17419	5.0
315.15906	5.5
323.18546	57.1
333.16995	82.5
351.18048	7.3
369.23865	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42612	5.9
52.38820	5.1
52.73782	4.9
53.01351	5.0
53.03932	11.7
55.01886	6.9
55.05512	22.4
57.03403	5.9
57.07051	5.1
60.08162	15.5
65.03948	7.4
67.05512	54.2
69.03426	17.6
69.07056	20.4
71.19823	6.9
79.05504	90.8
81.03428	27.1
81.07078	45.9
82.98654	5.0
83.04990	12.1
83.08606	8.8
85.02910	35.0
91.05489	74.2
93.07058	100.0
95.04967	22.8
95.08591	30.9
97.02870	9.0
97.10184	5.7
105.07063	50.4
107.04952	9.3
107.08574	20.7
109.02861	16.4
109.06547	5.9
109.10168	8.7
117.07043	15.1
119.08591	22.1
123.08047	5.8
127.03927	27.1
128.06268	7.2
129.07014	20.3
130.00494	5.2
133.10208	11.8
143.08499	10.4
145.10101	13.0
147.11700	64.7
161.13255	15.9
167.65565	6.0
171.11673	42.0
189.12781	18.9
207.13843	56.6
327.07904	7.5
331.90494	5.6
333.80966	5.3
351.17807	8.1
368.42538	33.4
369.12836	8.4
369.38824	8.5
369.42926	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35275	5.6
53.03942	18.0
55.01859	8.1
55.05507	14.8
67.05512	42.6
68.80496	5.3
69.03428	9.8
69.07055	14.2
71.53075	6.3
71.56654	10.5
79.05129	6.9
79.05508	76.8
81.03410	27.0
81.07063	53.2
83.05004	10.1
83.08611	13.8
85.02953	6.7
91.05491	67.9
93.07056	100.0
95.05005	30.8
95.08604	28.1
97.02882	17.3
97.06540	7.8
99.04462	5.9
105.07036	46.0
107.08586	22.2
109.02881	19.9
109.06507	8.7
117.06974	10.0
119.08596	32.7
121.10089	7.3
123.08084	9.3
127.03916	21.7
129.01401	6.0
129.07014	17.9
131.08577	9.2
133.10120	13.5
143.08542	16.6
145.10107	20.8
147.08052	9.9
147.11720	48.4
161.09581	6.9
161.13295	10.4
169.10080	8.3
171.11688	46.4
189.12791	21.8
190.38603	6.2
207.13826	51.5
212.45103	6.3
232.23853	6.9
239.53790	8.2
297.25650	6.8
303.55362	6.5
329.83749	5.9
353.12335	7.0
369.26480	41.0
369.30295	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	369.191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	1.9
51.87024	1.2
53.03951	15.7
55.01883	3.8
55.05301	1.8
55.05516	18.9
57.03435	5.0
59.89710	1.6
61.02918	1.8
65.03950	3.0
67.05509	60.7
69.03433	17.6
69.07084	10.7
69.21386	1.6
69.59631	10.6
71.04990	5.5
73.02876	1.7
73.06553	2.3
79.05500	90.4
81.03421	31.9
81.07063	47.0
83.04987	9.3
83.08640	10.0
85.02421	2.6
85.02910	39.2
85.06538	3.5
91.04906	1.8
91.05489	73.6
93.07052	100.0
95.04979	27.7
95.08611	22.1
96.75857	1.4
97.02903	11.7
97.06552	3.9
97.10165	3.1
99.04453	5.7
105.04502	2.8
105.07040	57.1
107.04963	7.5
107.08613	19.3
109.02889	20.7
109.06509	7.4
109.10155	2.9
111.08109	2.4
111.53982	1.5
115.05437	2.7
117.07027	10.9
119.08597	30.5
121.06488	3.5
121.10128	4.2
123.08112	9.2
127.03920	31.6
127.07629	1.8
128.06245	4.1
129.07010	24.7
131.08563	2.6
133.10143	12.3
137.09697	1.6
143.08606	13.9
145.04959	3.4
145.10127	16.2
147.08052	3.9
147.11700	71.6
161.09616	9.8
161.13268	15.3
163.11310	1.9
171.11705	49.3
171.13148	3.1
172.12032	2.3
189.12767	21.9
207.13835	52.1
308.49045	1.6
311.56396	1.6
351.17990	6.3
387.66409	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	369.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	15.8
55.05531	20.1
57.07078	8.1
60.08163	8.1
67.05515	58.8
69.03454	16.4
69.07072	13.8
71.04997	6.8
71.08643	4.8
73.02909	3.4
75.34014	3.0
75.68480	3.3
79.05504	91.6
81.03436	27.3
81.07069	43.6
83.04991	12.8
83.08628	8.2
84.60188	3.1
85.02928	38.6
85.06537	7.0
91.05492	75.3
93.07056	100.0
93.07635	7.0
95.01083	3.1
95.04991	30.7
95.08614	21.1
97.02901	9.1
97.06537	3.6
97.10197	3.9
98.20726	6.8
99.04453	8.8
101.77386	3.3
102.11092	3.0
105.04549	3.3
105.07034	50.5
105.25376	2.9
107.04963	6.5
107.08604	24.4
109.02885	16.0
109.06544	7.8
109.10133	5.2
115.05471	3.2
117.07029	13.4
119.08604	26.8
121.06615	3.6
123.08108	5.3
127.03934	27.6
127.07559	3.4
129.07027	24.7
133.10127	11.8
133.99353	2.9
143.08586	12.4
145.10121	16.9
147.11710	65.9
159.11693	4.1
161.09700	7.7
161.13269	17.6
171.11690	48.5
189.12769	18.9
207.13823	56.7
235.00665	3.9
327.07785	3.7
351.17908	5.8
368.42581	33.6
369.42789	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	368.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.4
53.72714	2.6
55.01869	4.0
67.05500	3.6
69.03431	4.5
69.73637	15.3
79.05518	4.7
83.04958	4.6
85.02887	8.3
86.91340	2.7
91.05479	11.5
93.07050	53.8
95.04947	5.2
97.43449	2.9
98.20815	3.3
105.07067	4.7
107.08604	46.9
109.06548	3.4
109.10162	32.0
111.08093	38.1
115.58990	2.9
122.59651	2.6
125.09638	25.4
135.08057	24.0
153.09114	100.0
162.84250	3.0
171.10161	42.8
172.10419	2.8
182.42952	2.4
208.97064	2.4
330.97641	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	368.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	13.8
57.07064	8.9
59.08572	9.0
60.08157	18.8
64.88655	7.7
67.05489	26.5
69.07064	17.0
70.63264	25.5
73.77096	8.8
79.05478	24.0
81.07061	41.5
89.64372	8.3
91.05462	35.3
93.07066	17.2
94.07367	13.0
95.04956	11.9
95.08603	21.5
104.29382	9.2
105.07021	28.3
106.07355	11.1
106.08692	25.2
107.08595	10.9
109.10143	22.8
115.05527	10.3
115.29736	8.2
117.07027	10.9
118.07388	8.1
118.97296	10.4
119.08527	21.2
120.08885	15.9
121.10117	16.3
122.10474	10.1
131.08591	16.5
132.08878	13.4
133.10138	18.5
134.10391	8.8
142.07896	9.4
145.10155	18.4
147.11618	9.8
171.11736	8.9
192.59727	10.9
223.14485	9.0
228.14581	9.9
293.40558	8.6
299.06149	10.4
327.16351	11.8
368.26947	12.1
368.38943	13.1
368.42636	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.9
53.03936	3.4
55.01876	4.4
57.03440	3.5
57.17469	0.8
61.02927	3.6
66.23305	0.7
67.05484	0.9
68.99793	5.4
69.03436	5.7
69.82590	2.5
69.82997	1.7
73.02910	3.2
79.05491	4.2
80.35456	0.9
81.03439	4.6
85.02421	1.4
85.02908	23.0
87.00833	9.3
91.04966	1.3
91.05484	14.4
93.07051	10.6
95.04971	3.5
95.08603	1.0
97.02879	3.0
99.04466	1.1
103.03953	15.7
103.04694	0.8
103.04835	1.1
103.05461	11.8
105.01893	3.9
105.04504	1.1
105.07032	12.8
107.04968	14.0
107.08594	6.6
109.02882	3.0
109.06501	0.7
109.10199	0.7
111.04517	0.9
115.05461	7.7
117.07025	17.6
119.08572	1.5
121.02903	1.3
121.06511	100.0
127.03906	2.7
128.06218	2.8
129.01840	7.5
129.06996	2.7
131.04935	2.4
131.08563	2.5
133.06497	17.1
135.08064	11.6
141.06996	4.1
144.05707	1.8
145.04933	1.1
145.05119	1.1
145.06479	16.7
145.10175	1.6
147.02863	5.7
147.04411	2.4
147.08049	4.3
149.06030	5.1
151.07556	10.9
153.06990	1.9
155.06055	1.3
155.08577	2.9
157.06506	11.1
158.07294	3.0
159.02943	1.9
159.08087	5.2
161.05992	7.7
161.09729	0.9
163.07550	43.6
165.05736	0.8
165.07025	3.4
169.06503	1.6
171.02896	1.8
171.06815	0.7
171.08037	3.8
173.05983	2.0
173.09677	3.1
174.06673	0.7
175.07541	2.4
181.43854	0.8
183.08055	7.4
185.05998	1.6
187.07547	18.4
189.03955	15.1
189.05577	1.4
192.73032	0.8
199.07507	1.0
200.15074	0.7
201.09113	3.0
206.43069	0.8
211.07576	9.0
217.08627	1.1
229.08624	18.9
247.09901	1.0
265.10739	1.3
283.11774	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	369.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21717	0.3
58.06598	1.8
67.05499	0.4
67.33195	0.3
69.03430	0.6
71.51649	0.7
76.07228	0.7
76.07643	9.3
81.03412	0.9
85.02908	1.5
91.05480	0.5
93.07053	0.6
94.07407	0.4
95.04965	0.4
97.02853	0.4
98.21315	0.4
99.04459	0.4
107.08559	0.4
109.02900	0.4
111.04434	0.3
112.08447	0.4
119.03551	1.3
121.02877	1.1
121.06503	3.4
127.03903	0.6
136.06192	100.0
137.04614	0.7
137.06575	0.9
145.06468	0.5
146.11430	0.4
153.09198	0.4
162.04118	22.0
163.04555	0.4
163.07471	0.4
207.06508	0.8
236.43628	0.4
237.10959	45.2
238.11272	0.8
369.15393	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08956	3.3
53.03941	15.3
55.01866	5.4
55.05515	17.6
57.03428	3.5
60.71298	3.3
61.02919	8.5
65.03955	4.6
67.05511	66.0
69.03449	18.3
69.07050	10.4
71.04989	6.5
73.02911	4.0
73.06560	4.9
74.12128	3.0
79.05067	5.2
79.05500	81.9
79.28426	2.9
81.03422	33.3
81.07066	53.1
83.04972	11.0
83.08611	12.7
85.02909	38.4
91.05488	77.5
93.07049	100.0
95.04973	25.3
95.08622	24.8
97.02907	15.6
98.82416	3.0
99.04448	4.4
105.04471	3.4
105.07040	50.2
107.04961	9.7
107.08585	18.9
109.02890	22.4
109.06503	9.6
111.85938	3.3
117.07037	15.9
119.08596	26.0
121.10146	9.2
121.30801	3.1
123.08056	8.3
127.03926	29.7
128.06223	4.6
129.07021	25.5
131.08583	6.0
133.06517	4.7
133.10114	13.6
143.08575	12.2
145.10159	15.2
147.08026	4.3
147.11699	66.0
159.11674	3.5
161.09644	7.7
161.13229	19.8
171.11711	51.2
189.12737	18.7
207.13821	50.1
211.05125	2.9
334.71451	3.1
351.18024	7.9
369.24365	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	368.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	11.6
55.01872	8.4
57.03429	4.4
67.40221	2.9
69.03433	34.5
70.06577	6.5
71.04971	4.3
72.53394	3.1
73.02911	12.7
81.03418	34.5
85.02908	100.0
86.09708	7.1
87.00839	39.4
91.03992	3.6
91.05466	11.0
92.05800	5.8
93.06248	3.6
97.02900	68.8
99.04464	18.0
105.01871	43.6
108.04494	15.5
109.02883	30.3
115.03892	3.9
117.01855	6.0
119.04955	10.9
120.05276	6.7
126.05521	11.7
127.03933	78.3
129.01839	4.3
145.04980	46.7
147.03279	4.0
147.04408	32.9
148.01523	3.1
148.04742	24.2
148.71469	3.0
157.07610	4.6
158.74551	3.5
159.02902	23.8
203.08177	5.5
204.08362	3.8
220.24463	3.2
231.05006	15.1
248.07816	6.2
311.42316	3.3
369.06268	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	368.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.4
55.01868	8.0
57.03432	5.7
61.02919	6.4
62.06080	4.4
69.03431	33.9
69.77115	15.9
71.04990	4.7
73.02912	6.3
81.03424	21.3
83.01382	2.8
85.02913	92.4
85.06553	100.0
85.07070	4.9
87.00838	34.1
91.05461	3.0
95.04960	3.0
97.02899	42.3
98.97646	3.2
99.04475	16.3
103.07610	13.7
105.01879	55.5
105.07043	3.5
107.04953	8.3
108.05319	3.0
109.02885	19.8
123.04443	14.0
124.04777	9.9
127.03928	53.7
129.01840	4.1
132.95859	3.6
133.06491	3.3
145.04985	31.2
147.04393	9.2
148.04785	5.7
153.09132	3.7
159.02911	15.0
161.05905	2.7
162.06404	2.8
163.03947	4.2
165.05504	4.4
166.05869	4.3
168.23344	2.5
177.05482	5.9
178.04912	8.1
206.04478	17.1
206.08272	5.0
229.09677	3.0
231.05023	13.5
234.99001	3.1
249.06104	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	368.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.5
54.01382	1.2
55.05265	2.0
55.05512	27.8
61.02914	1.7
69.03404	3.7
69.07069	7.6
69.56137	8.5
71.04976	1.5
73.02897	1.1
74.58443	1.0
81.03394	2.9
83.04925	1.3
84.05254	1.1
85.02913	13.7
86.23122	1.2
91.05476	3.0
92.05769	1.4
97.02888	5.0
97.10171	100.0
98.10480	1.6
98.21436	2.4
99.04490	1.4
109.02863	1.5
109.97758	1.5
119.04923	5.0
120.05292	2.4
125.09631	26.0
127.03898	2.8
135.44463	1.3
143.10674	64.2
145.04933	3.2
147.04407	18.6
148.03767	1.5
148.04767	15.5
158.06116	1.5
171.10173	26.6
180.08688	3.1
189.11223	86.8
203.08179	1.7
204.08611	2.7
294.70712	1.2
320.61087	1.3
342.56558	1.1
368.17221	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.1
55.01877	5.2
55.05519	4.2
57.03436	3.3
58.43483	1.9
67.05510	7.9
68.99795	1.8
69.03438	10.8
69.07074	2.2
70.06599	2.1
70.75463	1.8
71.05011	2.1
71.55891	1.6
73.02901	2.4
79.05509	4.2
81.03421	5.1
81.07068	4.4
83.04989	4.4
83.08622	3.5
85.02909	22.5
85.06573	2.0
87.00846	3.5
91.05476	11.8
93.07054	50.2
95.04974	6.9
97.02888	10.3
98.21075	2.2
99.04473	4.9
105.01883	9.6
105.07078	2.3
107.08608	40.1
109.02908	7.0
109.06540	5.0
109.10161	32.8
111.08096	40.6
117.06992	2.4
122.05895	1.7
123.04467	2.0
124.04856	2.4
125.09650	17.8
127.03915	14.7
135.08083	29.4
136.06195	5.0
139.41226	2.0
141.28214	1.8
145.04997	7.8
147.09299	1.9
148.09549	2.4
153.09120	100.0
153.98618	1.7
165.05531	2.5
171.10184	43.0
189.11256	4.2
198.93707	1.8
206.04436	2.0
207.06361	2.1
207.95430	1.9
231.05087	3.0
248.49002	1.7
265.08014	3.2
343.37558	2.0
368.10193	2.2
368.15189	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	368.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50384	2.5
53.03940	4.2
55.01870	6.4
55.05511	5.1
57.03442	4.0
61.02908	4.7
65.12518	2.5
67.05499	4.8
69.03441	15.0
70.06614	4.3
70.46442	2.7
71.05016	3.2
71.55486	3.2
76.07644	9.9
79.05489	4.1
81.03415	9.9
81.07038	4.6
83.04993	4.9
85.02908	36.9
86.09717	2.6
87.00838	10.6
91.05491	10.1
93.07056	42.7
95.04944	6.3
97.02898	18.9
99.04453	4.9
105.01870	12.4
105.04534	3.1
107.08603	37.5
109.02914	11.4
109.06523	4.9
109.10155	20.9
111.08094	27.0
117.07001	4.9
117.74968	2.1
119.04913	2.7
120.04470	2.3
121.02863	6.4
121.06504	10.2
123.04401	2.7
125.09626	23.4
127.03934	25.0
135.08061	24.0
136.05142	4.8
136.06197	100.0
139.21657	2.5
142.40005	2.3
145.04965	13.1
153.09120	82.5
159.02933	6.8
162.04121	20.1
163.07526	4.3
171.10178	41.5
177.74506	2.4
178.05028	3.9
189.11258	5.3
206.03848	21.5
231.05099	5.8
237.10965	41.1
244.08633	2.4
263.08490	3.0
264.08829	4.0
265.08008	11.4
313.37872	3.0
368.11465	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	367.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03041	5.8
51.71156	5.7
53.03944	13.0
55.01871	8.3
55.05516	30.9
56.02478	6.9
57.03444	9.6
57.07095	9.3
57.18930	5.7
62.55777	6.5
67.05517	60.9
69.07066	42.6
71.05000	10.5
71.56890	6.1
71.57313	9.9
79.05501	56.1
81.07059	76.3
83.04971	8.6
83.08630	14.6
85.06551	7.3
91.05500	62.9
93.07052	82.4
95.04973	38.7
95.08607	62.6
97.06541	20.6
99.08047	5.8
105.04505	7.8
105.07037	91.2
105.12724	6.0
107.05019	9.0
107.08605	67.4
109.06540	18.7
109.10152	48.8
111.08079	10.4
115.05472	10.6
115.98720	6.2
117.07040	22.0
119.08594	100.0
121.10147	57.6
123.08035	7.2
123.11746	17.6
124.83450	6.1
129.07025	25.1
130.07803	10.1
131.08586	56.5
133.10146	79.0
135.08067	21.2
135.11726	21.2
137.09554	7.3
141.06967	7.9
142.07799	19.0
143.08583	37.3
144.09328	8.0
145.10127	55.7
147.08031	10.4
147.11708	22.0
149.09706	13.9
155.08568	14.1
156.09320	16.2
157.10149	55.2
158.71805	6.5
159.08076	11.5
159.11736	30.4
161.09688	53.2
161.13312	10.0
163.14799	7.2
169.10121	26.7
170.10892	6.0
171.11687	28.8
173.13281	27.3
175.11168	10.7
175.14854	17.8
179.00484	6.6
179.08661	11.6
181.10091	10.6
183.11723	27.1
185.13283	17.0
187.14859	12.3
189.12738	7.1
195.11729	14.6
197.13293	14.4
197.21346	6.2
199.14818	15.2
209.13298	26.4
227.14429	11.6
227.31158	6.8
239.17949	7.8
255.17625	7.7
265.19437	7.1
349.26935	5.7
367.22086	9.2
367.26285	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	368.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94582	0.3
54.99787	0.3
57.03441	0.6
61.02922	0.8
66.57857	0.3
69.03437	2.0
70.11948	0.3
71.35642	0.5
73.02912	0.3
74.01911	0.3
81.03417	1.3
81.50820	0.3
85.02910	5.2
87.04474	0.3
91.03995	0.5
97.02904	2.6
109.02856	0.8
127.03934	1.2
132.04459	8.0
145.05013	1.2
160.03926	0.6
178.05006	62.3
179.05391	0.9
197.05585	0.3
206.04497	100.0
207.04810	1.6
368.09402	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.1
55.05517	25.3
57.07074	7.1
59.11962	3.4
67.05505	41.0
69.03441	6.9
69.07060	21.2
69.45835	27.7
71.05003	5.1
75.85767	3.7
77.92800	3.5
78.84293	3.9
79.05491	36.2
81.07062	53.8
83.04977	6.3
83.08614	10.5
85.06560	4.3
91.05495	48.5
93.07048	76.0
95.04974	40.5
95.08610	55.0
97.06548	12.4
103.05415	4.8
105.07037	87.8
107.05028	5.2
107.08598	58.3
109.06532	11.0
109.10168	37.3
111.08098	6.9
115.05457	4.4
117.07005	22.5
119.08594	100.0
120.99783	4.0
121.06528	11.2
121.10162	46.4
123.08031	6.4
123.11707	13.1
128.06256	11.6
129.06142	4.0
129.06929	18.8
130.07793	8.5
131.08575	49.0
133.09218	7.1
133.10143	70.8
135.08057	16.7
135.11719	23.5
137.09653	5.8
141.06978	5.8
142.07793	26.8
143.08569	38.6
144.09357	9.2
145.10138	60.7
146.07301	4.7
147.08070	9.1
147.11723	23.5
149.09637	15.6
155.08591	11.0
156.09352	15.9
157.10132	53.7
158.10844	8.5
159.08058	8.1
159.11720	39.2
161.09624	42.0
161.13254	6.3
163.11226	4.6
167.08540	5.9
169.10172	20.6
170.10959	9.4
171.11690	33.5
172.12300	4.3
173.09671	5.3
173.13293	24.1
175.11127	6.4
175.14825	20.6
177.12666	4.6
179.08627	6.6
181.10110	10.2
182.10921	6.3
183.11670	16.1
185.09669	4.6
185.13254	15.9
187.14830	14.1
194.10905	9.6
195.11763	11.9
196.12454	6.6
197.13223	20.6
199.11243	4.3
199.14862	19.7
208.12555	3.9
209.13341	23.4
210.13972	5.1
211.14877	15.2
217.15930	5.2
223.14882	5.0
227.14275	19.5
229.15858	4.9
233.81509	4.1
237.16389	5.0
239.18008	7.3
251.17873	6.2
253.19641	5.5
255.17461	3.8
265.19543	7.3
269.19003	6.1
290.59894	4.0
293.18701	6.2
349.25320	8.1
367.26324	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	367.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87683	3.2
53.03941	8.3
55.01875	20.6
55.05517	65.1
57.03437	14.1
57.07087	7.3
59.05005	4.3
66.01094	3.7
66.33258	3.2
67.05513	55.8
68.72261	3.1
69.03428	23.1
69.07077	50.0
69.86324	3.3
71.04988	11.0
71.18838	7.9
79.05500	56.9
80.32320	3.5
81.03442	11.0
81.07063	100.0
82.45850	3.3
82.70134	3.8
83.04990	32.1
83.08627	24.0
85.02901	9.6
85.06533	8.3
86.09636	3.2
91.05482	32.8
93.07055	70.4
95.04970	36.3
95.08613	78.0
97.02904	6.0
97.06537	25.7
97.10175	57.2
99.04477	12.7
99.08134	5.2
105.07040	91.8
107.04974	9.8
107.08600	66.2
109.06522	36.7
109.10159	37.2
111.04432	21.0
111.08092	15.1
111.11696	5.1
117.07081	12.3
119.08588	60.1
121.06547	8.0
121.10166	50.8
123.04454	4.3
123.08086	33.0
123.11716	27.9
125.09621	18.1
127.07568	6.6
129.07037	9.5
131.08583	27.8
133.06519	4.6
133.10143	33.8
135.04437	5.6
135.08047	14.2
135.11696	22.2
137.09644	12.8
137.13264	10.1
139.07570	4.6
139.11188	12.7
141.07004	5.3
141.09120	7.5
143.08546	13.1
143.10701	12.1
145.10130	33.2
147.08066	7.5
147.11703	73.1
149.09639	47.7
149.13274	16.6
151.07561	12.7
151.11203	11.5
153.12794	4.5
155.08537	4.2
157.10173	11.6
159.08083	5.3
159.11716	25.8
161.09662	8.9
161.13258	34.9
163.03960	11.0
163.11156	22.2
165.09140	6.8
165.12761	44.0
169.10159	7.7
171.11658	8.4
173.09688	6.0
173.13266	7.2
175.11253	14.6
177.09117	3.4
177.12772	19.1
177.16341	3.7
179.14357	8.6
185.09613	4.1
185.13338	6.2
187.11224	10.3
187.14725	4.8
189.11195	10.0
189.12747	7.9
189.16393	4.8
191.14282	6.4
193.12273	54.8
195.13850	6.5
197.13239	4.5
199.14799	5.5
205.12282	15.6
205.15816	5.2
207.13776	18.7
215.14296	8.5
223.13246	21.0
227.14418	5.5
229.14301	16.7
231.68651	4.0
243.15944	7.5
245.15474	4.8
257.18976	5.7
275.20068	31.4
285.22061	9.9
293.09259	4.0
293.21097	10.2
294.09845	3.8
295.20560	8.7
303.23108	21.7
305.24985	4.7
307.07172	4.2
313.21655	42.0
321.24240	10.3
331.22650	73.8
339.09796	8.9
349.08344	4.3
349.16376	4.5
349.23563	12.4
367.12082	4.7
367.22906	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	367.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44174	1.0
53.03941	3.5
55.01871	7.2
55.05512	21.2
57.03446	13.4
57.07084	1.5
65.03947	3.1
66.74308	1.3
67.05508	46.1
69.03436	2.6
69.07072	34.8
69.35228	7.6
69.35634	2.5
71.04990	3.1
71.08646	1.8
79.05057	2.3
79.05499	40.4
79.05964	1.9
81.03403	2.9
81.07060	100.0
82.07401	1.5
83.04980	8.6
83.08621	15.0
85.06542	3.9
88.42273	1.0
91.05488	27.5
93.07045	29.8
95.04987	8.0
95.08615	30.3
96.08913	1.4
97.06544	12.6
97.10175	3.6
99.08088	5.2
105.07037	28.4
107.04976	6.5
107.08601	19.3
109.06531	15.7
109.10172	13.4
111.04459	1.6
111.08085	4.8
112.60987	1.1
113.06010	1.5
117.07024	6.2
119.08589	22.1
121.06512	4.2
121.10155	12.8
123.04419	1.1
123.08070	6.5
123.11697	7.6
125.09644	1.9
129.07037	4.8
131.08588	11.7
133.06516	1.3
133.10127	12.8
135.04414	1.0
135.08072	3.3
135.11673	7.4
137.09607	2.7
137.13228	1.1
141.06984	1.5
143.08575	2.4
145.10133	9.8
147.07986	2.1
147.11693	20.2
149.09637	6.2
149.13275	8.4
151.11180	3.0
154.50748	1.0
155.08611	2.7
157.10152	4.9
158.84543	1.1
159.11705	9.9
161.09743	1.3
161.13249	3.7
163.03911	2.7
163.11179	8.4
163.14888	1.3
165.12769	5.8
169.10165	1.8
173.09726	2.6
173.13272	4.0
175.11168	3.2
177.12791	3.4
183.11713	2.2
185.13361	1.8
187.11205	2.3
189.12729	1.5
193.12218	2.1
195.11674	1.4
195.13869	1.5
197.13315	2.0
207.13910	2.0
229.19531	3.5
247.20700	2.5
252.68449	1.2
257.19037	4.5
275.20071	31.6
293.17957	1.5
293.20993	5.2
303.20026	1.1
349.24002	3.2
367.22983	19.1
378.91699	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82409	2.8
55.01864	5.8
55.05264	4.5
55.05517	65.4
57.03433	6.6
57.07071	3.3
58.28436	2.7
59.04978	3.1
67.05512	34.0
69.03418	9.4
69.06786	2.9
69.07081	37.6
70.48432	7.0
70.84732	2.4
71.04978	7.3
71.78293	2.7
79.05499	32.8
81.03455	2.8
81.07063	88.4
83.04981	17.2
83.08643	13.9
85.02895	5.1
85.06532	10.2
91.05482	22.1
93.07053	53.4
95.04964	12.2
95.08617	66.9
97.02984	2.6
97.06521	20.8
97.10176	89.4
98.09696	4.0
99.04472	5.1
99.08088	7.3
101.06043	3.2
105.07041	80.8
107.04961	8.7
107.08594	53.5
109.06539	36.1
109.10155	24.2
111.08095	8.8
117.03418	2.9
117.07014	8.2
119.08591	59.2
121.06500	7.1
121.10159	39.8
123.04424	3.2
123.08083	36.5
123.11724	30.5
125.05995	6.4
125.09641	17.9
127.07565	20.8
129.06972	3.6
131.08582	16.6
133.06497	4.1
133.10138	30.7
135.04445	3.1
135.08040	9.6
135.11720	17.9
137.09644	13.8
137.13258	8.8
139.07558	16.0
139.11186	11.8
141.09129	5.9
143.08556	9.7
143.10667	19.6
145.10129	25.3
147.04448	4.2
147.08028	5.8
147.11696	79.9
149.02356	5.7
149.08546	4.7
149.09634	48.5
149.13264	12.3
151.07553	11.0
151.11205	18.2
153.09096	2.8
157.10106	10.2
157.12181	4.1
159.11707	33.8
161.09596	9.0
161.13271	46.2
163.03885	16.4
163.11172	11.1
163.14813	9.6
165.09099	8.8
165.12769	37.5
169.10098	7.0
171.11719	10.2
173.13307	11.2
175.11191	9.7
175.14828	3.8
177.09065	3.3
177.12794	15.6
179.14319	12.0
183.11679	3.0
185.13338	3.9
187.11194	10.9
187.14812	6.0
189.11209	5.6
189.12749	10.9
189.16338	4.9
193.04916	5.0
193.12254	48.1
194.05270	5.1
195.13765	3.4
195.17250	3.2
197.13235	6.0
199.14853	6.9
201.12735	4.8
205.12218	18.8
205.15884	5.2
207.13748	28.8
215.14285	9.0
217.15875	5.8
221.15303	4.0
223.16887	4.5
229.14299	15.7
233.15477	5.9
235.16843	5.0
243.15900	12.7
267.20972	7.8
271.16806	3.7
275.20145	5.1
285.22171	14.7
294.49518	2.8
295.20486	11.1
303.19876	4.8
303.23172	19.3
313.18146	4.4
313.21594	65.7
321.16736	2.8
321.24179	10.5
324.50388	3.3
330.10019	3.1
331.19186	8.4
331.22681	100.0
349.20386	3.3
349.23779	23.6
367.11826	4.6
367.22363	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	367.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	12.4
55.01877	37.3
55.05514	81.2
56.08332	2.5
57.03439	34.1
59.05000	2.7
65.03935	6.2
67.05511	100.0
69.03424	6.6
69.06727	2.8
69.07072	49.7
71.05001	12.8
71.25723	3.2
71.26055	3.7
75.56259	2.6
79.05497	92.1
79.53563	2.5
81.03429	7.1
81.07063	95.2
83.04980	53.6
83.08624	60.1
85.02910	11.9
85.06520	7.0
91.05486	60.5
91.06062	3.6
93.07049	85.9
95.04974	86.8
95.08043	4.4
95.08612	56.8
97.06541	21.8
97.10175	29.2
99.04463	27.4
99.08098	4.6
105.04569	4.7
105.07043	53.7
107.04971	19.7
107.08601	70.8
109.06535	16.5
109.10155	30.5
111.04456	58.2
111.07390	2.5
111.08085	17.9
117.07006	23.6
119.08588	37.9
121.06553	12.3
121.10143	54.1
123.08040	14.4
123.11730	8.7
125.05997	6.3
125.09640	26.0
127.01153	2.3
127.07587	2.9
129.05501	3.6
129.07021	9.4
130.07773	3.2
131.08588	24.6
133.10129	28.3
135.08072	13.1
135.11693	21.5
137.09592	4.8
137.13318	2.9
139.03880	3.3
139.07536	3.0
139.11172	9.5
143.08592	2.8
143.49101	2.8
145.10130	39.5
147.08084	9.1
147.11684	24.2
149.09637	51.9
149.13287	6.3
151.11174	3.0
153.09042	4.1
153.12758	10.1
155.01900	2.8
155.08568	8.4
157.10161	9.3
159.11679	13.2
161.09648	6.7
161.13266	7.4
163.03944	4.1
163.11206	49.5
163.14793	4.3
165.12766	7.7
169.10176	5.4
171.10214	4.0
171.11737	7.0
173.09616	5.6
173.13284	10.9
175.11247	6.3
177.12781	6.8
181.12268	6.7
183.11720	6.4
185.13300	3.4
187.11201	7.1
187.14861	3.1
189.11227	18.0
189.12686	4.0
191.10696	5.9
193.12245	10.0
197.13214	5.6
199.14841	2.8
201.12788	4.1
205.12228	15.8
207.13829	3.8
211.13332	5.2
219.13849	2.7
223.13315	78.6
223.15454	5.7
229.19505	5.2
233.15454	4.0
237.14931	4.2
239.17970	7.8
247.20529	5.8
257.19019	16.1
275.20068	98.4
276.20401	3.4
293.21130	34.3
331.22589	4.4
349.23917	4.0
367.24680	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.8
55.01858	7.1
55.05513	24.1
57.03437	13.4
57.07061	2.3
65.03952	2.6
66.23003	1.7
67.05506	48.4
68.72213	1.4
69.03420	7.3
69.07069	39.7
69.94656	2.9
69.95004	7.4
70.48785	1.5
71.05013	7.5
74.01291	1.4
75.11491	1.7
78.59776	1.5
79.05063	2.5
79.05495	38.9
80.05826	1.8
81.03413	3.6
81.07060	100.0
83.04979	10.5
83.08624	16.7
85.02882	2.4
85.06538	5.4
91.05483	32.1
93.07046	34.0
95.04972	9.3
95.08604	38.5
97.06527	11.9
97.10156	11.1
98.21417	2.0
99.04475	1.7
99.08102	4.0
101.06006	3.0
104.25980	1.5
105.07035	39.5
107.04949	8.7
107.08591	23.8
108.83324	1.5
109.06530	17.4
109.10166	14.3
111.08082	6.9
117.07039	8.8
119.08589	31.5
119.13428	1.4
121.06496	4.4
121.10143	18.3
123.08069	12.2
123.11684	11.9
125.09642	5.5
127.03864	1.6
129.06987	4.5
131.08586	10.7
133.06430	2.5
133.10143	18.8
135.08069	6.7
135.11694	9.8
137.09607	5.8
137.13219	2.6
139.11125	2.9
141.09131	2.3
143.08559	5.2
143.10658	2.7
145.06465	2.5
145.10135	15.4
147.08028	2.2
147.11702	31.9
149.09637	13.2
149.13264	10.6
151.11165	6.0
155.08574	2.5
157.10106	5.9
159.08086	1.8
159.11702	9.8
161.09544	2.3
161.13272	9.4
163.03912	5.4
163.11160	7.4
165.09143	2.1
165.12775	13.1
171.11667	6.0
173.13292	4.4
175.11197	5.4
177.12775	5.6
179.14323	3.3
183.11700	3.3
185.13237	2.3
187.11107	2.0
187.14861	2.6
189.12737	4.0
193.12285	8.0
197.13336	3.1
201.12811	2.4
205.12215	1.9
207.13817	6.5
215.14272	2.9
217.15944	2.2
229.14371	5.8
247.20509	2.4
257.18982	2.8
275.20062	24.3
285.22031	4.9
293.21136	4.1
313.21609	7.1
321.24448	1.9
331.22696	13.0
349.23761	5.6
367.11737	2.2
367.24747	16.7
386.38583	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.5
55.01865	3.4
55.05490	1.7
57.03436	3.2
57.07071	3.9
61.02916	4.3
65.03938	1.6
67.18299	1.2
68.99802	1.6
69.03432	29.1
69.07068	1.3
69.96427	5.6
71.05012	1.2
73.02896	2.1
80.61148	1.0
81.03421	13.4
81.07053	1.7
83.05000	8.7
85.02906	64.4
87.00834	42.7
91.05481	16.2
93.07035	1.9
95.04964	1.6
97.02903	17.7
98.20805	1.3
99.04482	5.6
103.03957	1.2
105.01872	42.2
105.07059	1.9
109.02877	16.6
119.04948	31.9
119.08589	1.5
119.10675	2.2
121.06493	2.9
123.64995	1.1
127.03923	40.0
129.01849	1.7
130.06529	3.9
132.04436	1.3
145.04964	13.0
145.10193	1.3
147.04417	100.0
148.04787	1.4
153.05417	1.8
157.07623	4.3
158.06044	2.5
159.02924	2.8
161.09619	1.2
163.11226	3.8
175.08675	3.7
189.04002	1.9
189.09204	1.8
203.08194	12.7
207.10097	1.6
213.03902	1.9
221.09230	3.8
231.05002	6.5
247.05774	1.4
282.14163	1.2
329.15497	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16347	0.5
63.02365	0.8
63.90007	0.4
70.27185	2.0
70.27538	0.5
79.05497	1.3
89.03918	8.6
90.32523	0.5
107.04956	2.0
109.00262	0.5
117.03391	10.1
118.06546	1.8
130.06554	0.8
132.08105	1.4
135.04430	19.9
144.08081	1.4
145.02856	13.9
145.03976	0.7
146.06001	6.4
156.42827	0.5
159.09218	4.3
163.03917	100.0
164.04234	1.8
188.07082	15.7
205.09724	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.0
60.07605	0.6
65.03906	1.1
67.05492	2.1
69.07062	1.4
70.06626	0.8
71.56775	1.2
79.05499	2.3
81.07058	4.4
87.77104	0.7
89.03918	1.0
91.05483	16.8
93.07057	2.4
95.04984	1.7
95.08607	2.6
97.06531	1.0
97.10194	0.8
98.89045	0.7
99.04446	0.8
105.07034	2.7
106.06516	1.1
107.04959	6.2
107.08603	2.4
109.06491	1.1
109.10142	1.1
117.03372	1.1
119.04948	35.4
119.08598	2.7
120.05271	0.8
120.08110	0.7
121.02921	0.8
121.06496	1.1
121.10100	2.4
123.08062	0.9
125.06004	1.6
129.07050	0.9
130.06529	10.5
131.04974	1.1
131.08575	2.0
132.04449	1.6
133.05284	1.8
133.06464	0.7
133.10115	1.5
135.04419	2.5
135.08080	1.3
135.11613	1.1
137.05913	1.2
143.07326	1.9
143.08562	1.3
143.10713	0.7
144.08104	3.9
145.02873	1.8
145.10161	1.7
146.06020	3.1
147.04419	100.0
147.11711	1.7
148.04756	3.1
148.07597	3.3
148.08778	0.7
149.09628	2.0
154.06560	0.9
156.08087	2.4
156.09238	0.9
157.07648	4.1
157.10143	0.9
158.06038	3.9
159.08043	1.2
159.11699	1.0
161.09645	1.4
163.03917	9.6
163.07565	1.4
163.11195	2.6
164.08275	0.8
171.11670	0.7
173.13304	1.0
175.07436	1.2
175.08733	7.3
175.11208	0.9
177.09138	3.5
180.74556	0.7
181.07692	1.1
183.09206	1.1
185.07149	0.9
187.14861	1.5
188.07025	3.6
189.09164	0.9
193.08624	1.0
197.13278	0.9
203.08191	8.5
203.09984	1.1
204.08203	0.8
207.10153	2.1
215.14383	1.4
217.09894	1.1
217.12209	2.2
217.15810	1.6
220.07582	5.3
221.09299	7.7
222.09209	1.5
227.08249	1.5
230.09677	0.9
231.13939	1.0
232.14636	1.6
233.08353	3.0
233.15327	5.8
234.09200	4.0
235.09796	0.8
241.09030	1.0
243.13774	1.5
244.07675	1.0
245.09181	2.5
246.09137	6.6
248.07155	1.6
248.10681	0.9
258.09131	2.7
260.10635	2.1
261.10132	1.8
261.14734	3.4
262.08676	2.7
263.11835	1.5
273.08987	0.9
275.16470	2.0
276.10199	2.8
280.09650	3.7
283.06046	0.9
285.14890	1.3
286.08594	2.0
288.10086	1.2
290.08176	2.8
303.11255	2.4
303.15860	6.5
304.09402	1.0
307.10904	1.7
321.12265	3.0
321.17007	6.5
332.09109	4.5
349.11862	10.1
349.16052	1.0
367.12827	16.5
367.17416	4.0
368.13528	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.1
55.01868	3.9
57.03425	4.0
61.02925	1.4
69.03416	2.5
70.03893	1.8
70.04281	2.5
70.22679	0.9
71.01350	1.2
73.36259	1.0
79.05480	1.4
81.03419	3.7
85.02901	19.8
87.00819	5.2
91.05475	4.3
93.07021	1.9
95.04974	16.3
97.02866	2.8
99.04472	10.6
103.03998	1.6
103.05474	2.8
105.07035	6.4
107.04955	25.2
115.05434	1.9
117.07002	1.3
119.04954	7.0
119.08562	1.2
121.02847	5.1
121.06491	8.0
123.04430	100.0
124.04771	1.7
128.06216	3.2
129.06998	1.9
131.04924	9.8
133.06503	27.5
135.04407	3.4
143.08493	1.3
145.06490	7.4
147.04411	25.8
147.08063	7.3
149.05983	10.8
151.03891	2.0
152.06264	1.3
153.06982	3.3
157.06499	18.3
159.03127	1.7
159.04425	10.0
161.05962	14.9
165.05482	39.3
169.04936	3.6
169.06310	1.0
171.08081	7.8
173.05986	7.5
175.07555	3.8
177.05496	17.2
179.07051	1.5
181.06479	4.0
185.05959	10.6
189.05444	1.5
191.07057	3.6
199.07542	10.9
201.05444	3.5
203.07057	9.9
207.06564	1.6
215.07005	1.5
227.07086	11.6
245.08084	6.3
263.09055	2.4
281.10175	3.4
307.06909	1.1
349.09097	1.9
367.10507	1.4
380.67307	1.1
385.47049	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38485	0.3
52.38046	0.3
53.03944	0.3
55.80474	0.3
57.04686	0.3
63.02372	0.4
63.05700	0.3
63.74313	0.3
69.03426	0.3
70.46533	0.4
70.46914	0.8
79.05490	2.1
85.02898	0.7
89.03923	9.9
91.05474	0.5
95.04974	0.5
105.01863	0.3
107.04958	2.4
109.10172	0.3
113.96489	0.3
115.05466	0.2
117.03385	11.8
118.06547	2.3
119.08615	0.4
127.03899	0.5
130.06564	0.8
132.08109	1.4
135.04427	23.6
136.04794	0.3
143.07341	0.4
144.08089	1.8
145.02856	13.4
146.06020	7.2
159.09187	4.4
163.03915	100.0
163.14816	0.3
164.04245	1.9
170.06067	0.6
188.07091	16.3
189.07542	0.3
205.09740	8.2
367.12030	0.4
386.68115	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.7
53.95779	8.0
55.05512	29.9
56.05035	15.4
60.65912	8.0
67.05512	77.9
67.94722	8.6
68.05024	9.8
69.07073	31.0
70.17158	16.2
70.17571	31.2
71.71840	9.8
72.08140	12.3
74.02449	66.6
79.05502	62.0
80.05029	17.5
81.07056	100.0
82.06573	24.7
83.08602	16.6
84.08150	12.3
89.13798	10.1
91.05488	63.5
93.07063	58.4
94.06567	32.8
95.04948	11.3
95.08608	77.6
97.06547	10.7
105.07040	44.3
107.08591	27.9
109.10185	22.0
117.07022	23.0
119.08599	34.7
121.10154	15.1
122.09666	17.4
123.11687	9.4
129.07057	11.6
131.08583	32.9
133.10123	24.8
135.11743	21.2
145.10161	15.8
147.11696	22.2
152.10605	10.2
159.11665	13.3
161.40479	9.4
171.11784	11.7
173.13222	8.9
178.04945	8.6
178.38226	9.7
187.14812	10.7
200.16490	11.3
213.77586	8.4
240.19588	11.5
259.20679	9.2
288.23236	37.1
299.20224	13.2
306.24280	56.2
316.22635	16.3
320.25974	30.1
327.05515	9.9
334.23813	36.4
348.25378	61.7
358.74866	10.2
366.26395	64.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0213
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77337	0.2
66.05998	0.2
71.55087	0.2
101.00893	1.4
112.26951	0.2
119.01933	6.9
134.99844	0.5
137.02963	2.4
142.53207	0.2
158.99911	1.0
165.83810	0.2
165.99606	0.4
174.94383	0.2
175.03033	0.4
177.00966	19.4
178.01096	0.9
182.99969	0.4
186.76714	0.2
192.98792	0.2
193.04144	0.2
195.02095	0.3
200.02637	0.2
201.00948	1.2
217.04100	3.0
219.02025	23.1
220.02068	1.2
221.02289	0.2
225.00879	2.5
227.99664	0.2
235.00017	0.6
236.00090	0.6
242.03432	0.4
243.02010	6.3
244.02139	0.4
254.01141	0.2
257.03198	0.2
258.99905	0.9
260.00146	1.6
261.03079	100.0
262.03214	4.0
263.03241	0.8
265.99246	0.3
266.03778	0.3
275.04694	1.3
277.01044	1.1
278.01129	1.3
279.01059	0.6
282.99991	2.0
284.00186	2.9
284.04694	2.7
284.99780	1.0
285.04736	0.2
287.21057	0.2
301.01068	2.9
302.01178	5.9
303.00845	1.6
319.02148	0.3
320.02350	0.2
326.01379	0.3
337.01242	0.2
343.02054	0.5
344.02240	2.4
345.02267	0.3
362.03311	1.0
364.00769	0.4
364.51306	0.3
367.02185	0.9
373.51532	0.2
383.99893	0.2
385.03214	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	367.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.9
55.01861	6.0
57.03436	8.5
68.99773	2.9
69.03428	7.3
69.81871	3.2
69.82262	4.5
71.04977	1.6
79.05473	3.0
81.03407	5.5
85.02907	49.0
87.00834	8.5
87.04422	2.6
91.05475	4.2
93.07042	3.9
95.04974	17.1
97.02901	4.2
98.20713	1.9
99.04454	11.4
103.05470	5.8
105.01864	1.8
105.07030	14.7
107.04956	55.4
114.54366	1.6
115.05455	3.5
115.92269	2.0
117.06987	3.2
119.04940	12.0
121.02892	8.7
121.06503	14.2
123.04433	100.0
128.06212	5.8
129.07016	2.6
131.04936	19.3
133.06493	50.1
135.04391	9.4
141.06996	1.8
143.08492	1.8
145.06473	11.3
147.04401	47.3
147.08064	13.0
149.05994	21.3
151.03954	3.0
152.06212	2.3
153.06987	6.2
155.05983	2.4
157.06494	29.1
159.04410	18.9
159.08049	3.0
161.05974	23.6
165.04134	3.0
165.05472	38.1
169.05014	3.6
169.06448	3.1
171.08069	18.9
173.05989	13.1
173.09615	1.9
175.07529	6.9
177.05484	38.3
179.07059	2.0
181.06477	9.2
183.08102	2.5
184.05289	1.5
185.05968	21.7
187.07480	2.0
189.05493	5.0
191.07025	2.4
199.07544	20.5
201.05467	4.6
203.07033	19.1
203.71248	1.8
215.07097	2.2
217.08569	4.7
221.08136	3.0
227.07002	13.5
238.05354	2.2
245.08145	9.3
259.87244	1.5
263.09131	4.8
264.09137	1.7
269.97064	1.6
281.10147	3.8
331.07959	2.9
349.09030	6.1
367.10681	2.5
388.91833	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70428	3.0
53.03946	5.7
53.98574	3.0
55.01866	9.3
55.05513	27.6
57.03442	7.6
61.02923	9.6
61.03667	2.8
61.79890	2.9
67.05506	7.8
67.37418	3.3
69.03432	38.1
71.04993	3.9
73.02911	5.4
81.03431	31.3
81.07037	7.3
83.08624	24.6
85.02426	6.3
85.02910	100.0
87.00839	39.6
91.05503	7.8
93.07073	5.1
95.08601	10.3
97.02885	27.1
99.04449	14.2
101.09660	12.4
105.01867	42.2
105.07023	7.6
107.08578	6.0
108.04508	4.1
109.02893	36.7
109.10137	6.5
111.08077	13.6
113.09607	3.5
117.01882	4.0
117.38654	3.0
119.04903	5.3
119.08578	4.7
123.04361	3.5
123.08090	5.5
125.09622	3.7
127.03929	63.1
129.01828	5.3
131.69058	3.2
133.10138	4.1
137.09631	6.2
139.07536	9.4
141.09084	4.9
145.04973	25.0
147.02826	4.0
147.04407	13.9
149.09630	3.6
151.11308	3.7
159.02956	16.4
159.04095	3.2
167.10635	3.9
178.05023	8.5
179.05309	7.1
189.03976	4.7
191.10661	4.4
209.11717	20.3
213.04027	5.6
231.04996	12.9
279.61823	3.2
295.11716	14.8
320.11093	3.3
361.03900	10.7
366.11642	12.5
379.05261	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.4
55.01864	7.2
57.03434	5.5
61.02927	8.0
62.77355	1.9
68.16107	2.0
68.99790	1.9
69.03432	41.1
71.05003	4.0
71.06072	3.0
73.02923	6.1
81.03419	22.0
83.04999	4.2
85.02906	100.0
87.00836	49.1
91.03935	3.1
91.05467	4.4
97.02892	26.9
99.04467	13.3
105.01865	82.7
109.02883	27.9
117.01827	2.6
118.06527	1.9
119.04971	6.2
127.03921	68.7
145.04958	32.9
146.05986	3.7
147.04420	21.8
159.02921	7.5
165.59570	2.2
178.05002	8.4
179.05350	4.8
189.03979	4.1
213.03937	1.9
231.05009	23.4
249.06042	7.0
320.11026	2.2
366.11621	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	366.0371
Annotation	Unknow
Peak:m/z	Relative Intensity
69.42493	1.9
69.42897	4.3
73.40249	0.8
92.33157	0.7
101.00901	2.2
119.01905	8.6
137.02960	2.7
158.99873	0.9
176.99388	0.9
176.99669	0.5
177.00967	24.0
216.98909	1.8
217.04144	2.5
219.02022	28.9
220.02007	1.4
221.02168	0.9
225.01004	2.5
234.99986	7.8
236.00197	1.2
240.99057	1.7
243.02058	5.8
253.01170	2.7
259.00027	19.6
260.00113	2.8
261.03082	100.0
262.03226	1.0
264.99155	2.4
275.04535	2.3
277.01080	19.7
278.01227	3.5
282.99988	36.5
284.00128	4.0
284.04742	2.8
292.00018	1.0
301.01068	67.3
302.01233	8.6
303.01111	2.3
319.02109	2.8
324.02765	1.2
325.00934	5.1
343.02139	28.9
344.02231	1.6
361.03250	7.9
363.01312	1.3
363.50986	1.7
372.01453	1.5
372.51620	1.6
373.01456	0.9
385.03406	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	365.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.5
54.19553	4.8
55.05517	27.9
57.03424	8.4
57.07056	6.6
67.05513	43.5
69.03439	7.3
69.06730	5.0
69.07069	30.0
71.04972	4.7
71.57537	7.0
74.85681	4.8
79.05508	31.9
81.07059	53.5
83.05006	6.5
83.08608	18.0
84.63514	4.3
85.06529	7.9
85.81461	4.4
91.05489	49.5
91.12630	4.3
93.07054	40.4
95.04984	51.8
95.08616	63.1
95.95761	4.4
97.06559	9.2
97.10150	8.4
105.07047	56.9
107.08615	37.2
109.06551	12.0
109.10160	28.6
117.07038	18.6
119.08600	49.4
121.10201	23.4
123.11657	10.6
128.06218	7.1
129.07004	15.5
131.08601	36.5
133.10133	35.0
135.08049	14.7
135.11694	16.7
142.07811	10.6
143.08542	30.3
144.09320	9.9
145.10130	32.8
146.41299	5.0
147.08032	9.5
147.11681	10.2
151.11238	8.5
155.08531	11.0
156.09357	20.7
157.10143	47.0
159.08037	8.7
159.11696	41.9
161.09631	14.5
161.13196	10.5
163.11183	5.3
166.07784	6.2
167.08534	9.6
168.09404	6.1
169.10129	21.4
170.10918	10.0
171.11664	27.0
172.12543	5.1
173.09561	13.9
173.13258	13.2
178.04953	8.9
179.08612	10.9
180.09389	5.4
181.10138	15.2
182.10971	10.8
183.11702	31.2
184.12483	9.0
185.13297	30.8
187.11215	16.5
187.14813	16.2
193.10172	21.1
194.11006	10.1
195.11722	39.4
196.12408	10.1
197.13257	18.6
199.11354	6.1
199.14737	7.2
206.10892	8.2
207.11656	20.7
208.12383	10.5
209.13312	22.5
211.11226	6.9
211.14911	11.5
213.12793	14.1
213.16304	5.9
219.11650	11.1
221.13243	23.7
222.14095	5.4
223.14888	24.2
233.13289	7.3
234.10396	5.3
234.14081	7.7
235.14807	14.2
236.15544	5.0
237.16310	14.5
238.17267	5.9
239.06812	5.2
239.17807	5.4
241.15758	4.7
247.14780	8.6
249.16368	21.0
251.17963	13.3
261.16330	7.0
263.17993	12.2
267.17429	7.8
269.19165	7.9
277.15948	7.3
279.19717	5.2
282.19305	6.9
282.84735	4.8
289.19470	5.2
291.19962	8.5
307.19009	9.6
345.03140	4.8
347.23883	32.1
347.29291	5.1
357.31799	4.9
365.11096	7.5
365.24667	100.0
365.30396	18.5
368.47995	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	12.8
55.01873	16.2
55.05521	29.1
57.03441	25.9
67.05177	6.8
67.05511	100.0
69.03430	10.0
69.07084	27.5
70.06609	5.9
71.04639	4.9
71.04996	8.1
71.56778	4.4
71.57136	5.7
79.05500	74.4
81.03427	13.7
81.07065	99.8
83.04994	26.6
83.08614	16.6
85.06546	11.6
91.05492	87.1
93.07053	71.3
95.04964	19.0
95.08628	41.0
97.02891	6.4
97.06557	16.4
97.24685	4.7
99.04450	5.3
105.07034	64.4
107.04955	25.4
107.08598	57.2
109.06491	14.5
109.10150	47.7
111.04472	5.1
111.08068	9.1
117.07049	16.6
119.08595	24.6
121.06519	12.6
121.10120	15.2
123.04501	5.7
123.08088	13.9
123.11747	18.3
128.06229	7.3
129.06972	6.9
131.08566	36.2
133.06517	11.0
133.10143	90.9
135.08052	24.9
135.11716	10.4
139.07581	7.6
142.07884	6.2
143.08571	14.6
145.10118	13.6
146.06042	11.7
147.08093	11.7
147.11700	12.6
149.09608	21.6
149.13242	5.7
151.11188	50.5
157.10121	10.2
161.09633	15.9
161.13257	5.7
163.11151	7.0
169.12187	6.7
171.11673	6.1
175.11203	7.7
177.09164	12.0
178.04984	8.5
179.10695	8.6
245.19054	18.0
247.13957	5.8
251.12729	6.2
253.14381	26.2
263.19946	7.2
273.18466	37.9
291.19504	30.9
347.22525	6.8
358.67981	5.7
365.10782	8.1
365.18918	9.0
365.23233	54.8
365.33362	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2325
Annotation	Florxenilide C
Peak:m/z	Relative Intensity
53.03942	4.8
55.01887	5.4
55.05513	44.3
57.03434	4.7
61.45884	2.8
64.47172	2.9
67.05507	36.6
69.03428	13.3
69.07072	15.9
70.09724	10.5
71.04980	4.7
72.46813	2.9
73.53810	3.0
78.43174	2.9
79.05504	23.3
81.03439	3.6
81.07059	71.3
83.04983	4.8
83.08622	6.4
84.08145	7.8
85.02906	3.3
85.06561	17.2
85.20721	2.8
91.05484	16.3
93.07053	44.8
95.04976	15.0
95.08609	100.0
97.06522	14.7
97.10188	32.6
99.04464	9.5
105.07037	38.5
107.04948	4.6
107.08595	39.1
109.06529	27.3
109.10148	25.5
111.08109	3.1
115.05473	3.0
115.42421	3.2
117.07023	9.3
118.06569	5.5
119.04984	3.6
119.08592	44.9
121.06506	11.9
121.10149	37.8
123.08071	42.5
123.11741	18.8
124.07632	3.4
125.09637	18.9
126.53529	2.9
127.07531	16.2
130.06537	3.5
131.08563	20.1
133.10127	29.0
135.08095	15.4
135.11684	16.7
137.09624	8.4
139.07564	4.0
141.09132	27.5
143.08575	8.2
143.10695	7.2
145.10136	24.3
146.05988	8.4
147.04405	12.6
147.08189	3.4
147.11708	17.6
149.09627	21.5
149.13263	5.7
151.07559	32.4
151.11183	35.1
153.09135	4.4
157.10136	10.2
159.11688	29.4
161.09633	12.1
161.13266	14.8
163.03822	3.4
163.11212	17.6
164.07043	3.2
165.09172	6.3
165.12787	3.0
167.10715	2.9
169.08617	3.4
169.10083	6.3
171.11620	7.8
173.09578	3.5
173.13254	10.8
175.11215	6.9
175.14781	3.0
177.09131	4.9
177.12738	25.3
178.04988	19.2
179.10689	10.0
181.12216	12.1
185.09593	4.5
185.13237	9.6
187.11189	5.2
187.14853	11.8
189.12764	6.0
189.16411	6.0
193.12206	5.0
195.10158	3.7
195.11815	6.0
195.13863	9.0
197.13171	3.8
199.14854	4.7
203.10513	5.0
203.14333	4.7
205.12259	12.1
213.12738	7.3
215.14366	7.4
219.09236	2.7
221.15321	3.5
222.14008	3.2
229.15916	3.1
231.13759	7.5
231.93274	3.3
233.15376	3.7
245.15672	3.4
249.14832	3.6
251.16452	4.0
265.19595	4.9
269.18860	4.1
273.18594	3.1
273.22083	4.3
274.08652	3.4
280.91959	3.2
283.08664	4.6
283.20523	15.0
291.19611	4.8
293.18906	8.7
298.98825	2.8
301.21606	36.5
311.20059	28.1
319.10797	7.9
319.22665	28.5
321.33243	3.1
329.21115	62.7
347.22134	40.0
365.10870	19.2
365.18893	6.2
365.23300	44.1
384.39120	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	365.2324
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
53.03948	4.7
55.01859	9.5
55.05503	20.9
57.03424	15.2
57.22611	5.0
61.02919	15.5
67.05516	40.4
68.33429	4.6
69.03433	36.9
69.07063	19.0
69.54651	29.9
70.01070	4.7
71.05005	34.0
73.02915	11.4
79.05515	23.3
81.03410	13.8
81.07066	57.1
83.04983	13.5
83.08602	10.6
85.02904	45.6
85.06542	7.1
91.05483	34.9
91.15678	4.7
93.07051	42.6
95.04966	17.2
95.08062	5.6
95.08622	89.6
97.02879	17.4
97.06535	10.8
97.10170	11.7
98.20690	5.5
99.04462	7.8
103.03943	13.8
105.07056	61.2
107.08611	41.3
109.02863	4.8
109.06506	15.6
109.10172	48.3
111.04440	13.9
111.08042	6.1
115.03931	10.1
117.07031	17.4
119.04963	7.6
119.08589	79.7
121.06493	7.5
121.10149	46.1
122.55263	4.6
123.04495	5.4
123.08096	11.1
123.11709	20.9
125.09611	7.7
127.11187	7.9
129.07008	11.7
131.08559	42.1
133.10138	44.6
135.08032	8.6
135.11696	21.5
137.06026	6.6
137.09586	15.8
142.07800	13.6
143.08568	25.1
143.10690	4.5
145.06519	7.4
145.10139	56.9
147.04417	10.3
147.08051	14.5
147.11708	34.8
149.09647	9.8
149.13263	11.0
151.11168	13.7
155.08571	13.8
156.09282	9.1
157.10187	41.9
158.72823	4.9
159.11716	68.8
161.09662	8.4
161.13264	18.9
163.11159	8.3
163.14819	7.3
169.10179	19.0
171.08017	7.3
171.11705	39.8
173.09605	6.7
173.13258	28.6
175.11212	14.3
175.14821	10.8
177.09196	6.6
177.12706	6.6
177.16422	6.3
178.04961	12.7
183.11691	14.9
185.09630	7.2
185.13242	12.1
187.11194	17.3
187.14812	26.5
189.12692	10.4
189.16403	41.2
195.11761	8.6
197.13312	15.6
199.11308	5.2
199.14836	9.1
201.12698	8.8
201.16374	23.6
203.14320	7.0
203.17938	17.5
209.13315	5.7
211.14943	8.2
213.12831	7.9
213.16432	12.8
215.14328	9.0
215.17993	28.2
223.14917	6.1
225.16302	4.7
227.14395	5.6
227.17912	9.2
231.17389	14.7
233.19099	6.6
243.13928	10.0
243.17403	8.6
245.19052	17.1
249.15173	6.7
257.19000	7.0
261.14972	13.6
269.19104	7.0
274.08649	6.2
275.20297	7.2
287.19965	5.5
299.19870	5.4
301.21713	6.0
311.19989	19.0
329.21204	35.6
347.22281	41.8
365.11365	11.3
365.23346	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.0
55.01872	8.2
55.05515	32.2
57.03189	1.0
57.03443	11.5
57.07076	0.8
59.04996	1.1
62.26497	0.7
65.03926	1.9
66.58202	0.8
67.05509	38.3
69.03072	1.1
69.03434	15.5
69.07071	46.1
71.04980	3.2
71.46124	1.5
71.46502	0.8
73.61536	0.7
77.06466	0.8
78.82623	0.8
79.05497	29.1
81.03424	7.1
81.06575	1.8
81.07057	30.0
83.04974	6.2
83.08624	10.6
85.02903	1.5
85.06564	1.0
91.05485	19.3
93.07046	21.2
95.04974	10.6
95.08609	14.9
97.02898	18.1
97.06556	4.1
97.10176	18.8
103.05497	0.9
105.07033	15.3
105.07683	1.5
107.04968	9.7
107.08598	16.6
109.02917	1.6
109.06517	4.4
109.10163	12.7
111.04423	1.2
111.08095	3.6
117.07024	8.6
119.04967	1.0
119.08588	15.0
121.06524	3.2
121.10137	7.3
123.08067	5.2
125.09641	12.4
128.06314	1.1
129.07030	3.1
131.08569	7.9
133.06508	3.4
133.10130	6.5
135.08113	5.2
135.11684	1.7
137.09641	4.6
139.03879	0.9
139.07545	1.0
143.08546	4.0
143.10738	0.8
145.06485	1.9
145.10118	7.9
146.06071	1.1
147.08046	6.6
147.11685	3.1
149.09625	3.5
149.13274	2.3
151.11191	1.6
153.09116	1.9
155.08502	1.2
157.08818	1.0
157.10155	3.8
159.08031	1.9
159.11687	3.2
161.09624	2.9
161.13251	0.9
163.11203	3.0
165.09143	3.7
167.08588	1.2
169.10176	1.1
171.10197	1.1
171.11723	3.3
173.09650	1.0
173.11829	1.6
173.13214	1.6
175.11215	3.2
177.11230	0.7
177.12784	2.6
178.05020	2.0
179.10777	1.0
183.11697	1.3
187.11406	1.0
189.11215	9.3
189.12733	1.7
195.13887	1.5
197.13208	0.9
205.12253	3.4
223.13304	29.1
227.12727	1.8
227.17891	1.6
243.13852	1.2
245.19003	2.8
249.15027	1.4
255.17447	1.5
263.20062	2.2
273.18515	17.9
279.16153	1.1
291.19543	100.0
292.19949	2.1
317.20941	1.0
347.21973	1.6
365.11035	2.2
365.15897	1.8
365.19781	1.6
365.23276	36.9
366.23618	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	4.5
55.01876	10.5
55.05513	32.6
57.03449	14.6
57.07088	2.3
59.05008	3.0
61.02923	2.2
61.94757	1.5
67.05511	37.4
69.03434	13.2
69.06717	3.0
69.07075	42.6
71.04982	3.6
71.32684	3.7
79.05060	2.5
79.05502	35.9
81.03424	6.9
81.07069	45.1
81.60208	1.6
83.04994	9.4
83.08638	11.6
85.02924	2.6
85.06572	1.9
91.05490	30.6
93.07053	25.1
95.04969	12.7
95.08612	20.8
97.02903	16.2
97.06553	5.3
97.10175	15.9
99.04449	1.7
101.56914	2.1
105.07038	20.7
107.04968	13.5
107.08617	19.5
109.06522	12.6
109.10158	15.3
111.08096	3.5
115.05451	1.8
117.07047	9.8
119.08579	12.2
121.06510	6.1
121.10124	9.1
123.08071	6.5
123.11736	4.8
125.09622	13.1
129.07011	4.7
131.08562	9.3
133.06509	3.7
133.10159	11.4
135.08066	8.0
135.11708	7.0
137.09624	4.2
143.08554	4.0
145.10147	4.7
146.05956	2.5
147.04437	3.7
147.08047	7.2
147.11734	6.2
149.09621	2.4
149.13246	4.7
151.11237	4.8
153.09099	1.9
157.10088	3.2
159.08028	2.7
159.11749	2.1
161.09648	5.7
163.11159	2.4
171.11702	3.8
175.11189	2.5
177.12807	2.2
178.04962	4.9
183.93462	1.9
185.13329	2.1
189.11235	6.8
189.12718	1.9
195.13835	2.1
205.12241	2.9
223.13306	26.8
227.17952	2.2
245.19131	3.7
249.15012	2.0
263.20090	3.6
273.18546	21.7
291.19553	100.0
347.22305	2.5
365.19196	1.5
365.23309	39.3
366.23770	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	1.0
57.03425	0.7
65.03931	1.6
67.05492	1.5
68.88991	0.4
69.07052	0.9
70.03178	2.2
79.05482	1.1
81.07059	2.5
91.05482	14.1
93.07037	1.7
95.04971	0.9
95.08608	1.6
97.02906	0.4
99.04459	0.4
105.07043	1.4
107.08595	1.1
109.10172	0.6
117.07050	0.8
119.04949	28.5
119.08572	1.2
120.13139	0.5
121.10180	0.9
124.20164	0.4
125.05976	0.5
127.03928	0.9
128.06203	0.5
131.08571	0.7
132.08179	0.6
133.10118	1.1
135.08049	0.9
135.11690	0.7
135.41946	0.4
145.10130	1.1
146.05946	0.5
147.04413	100.0
147.11687	0.9
148.04778	1.1
159.09117	0.8
160.07632	3.2
164.55557	0.5
178.05055	0.8
182.92470	0.5
202.08675	4.6
219.11278	2.7
273.18365	1.1
274.40591	0.5
291.19409	0.9
342.23575	0.5
365.11243	0.9
365.24030	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1057
Annotation	Unknow
Peak:m/z	Relative Intensity
63.26162	0.4
68.40060	0.5
69.52221	1.1
69.52623	2.7
84.05049	0.5
98.20708	0.5
101.00893	1.6
110.01408	0.5
119.01940	2.7
122.01402	1.4
131.01936	3.9
137.01930	1.0
137.51971	0.7
143.01904	3.0
145.03485	1.2
152.02469	1.0
155.01920	1.0
161.02974	2.2
173.02953	4.7
173.52991	0.5
182.03654	0.6
185.02991	2.3
185.04269	24.3
197.03021	1.5
203.05309	52.7
215.04037	1.3
224.04556	1.0
245.02808	1.0
245.05092	7.0
263.06137	0.9
284.39130	0.5
365.10571	100.0
366.10916	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1133
Annotation	10-Hydroxycamptothecin
Peak:m/z	Relative Intensity
68.05012	0.8
70.01340	3.1
80.05008	1.2
91.05475	1.0
94.87234	0.7
102.40977	0.6
103.05454	0.5
108.04472	3.5
115.05442	2.1
117.07008	1.3
118.06548	24.3
125.02383	0.8
130.06549	4.5
132.08101	1.0
142.06514	2.7
143.07304	2.9
144.08093	11.9
146.06012	43.4
147.04370	0.7
147.06322	1.3
149.02316	1.1
160.07594	0.7
163.03909	2.2
164.07048	0.7
170.06038	3.6
174.05502	1.3
178.04999	100.0
179.05342	1.4
182.08362	0.7
188.07065	18.5
189.07376	0.8
190.04990	5.1
192.06554	2.0
217.09694	0.8
234.04068	1.2
236.05545	4.0
252.69884	0.7
302.08084	0.6
305.11243	0.8
319.10745	11.4
365.11310	59.6
366.11722	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	365.1132
Annotation	10-Hydroxycamptothecin
Peak:m/z	Relative Intensity
71.55988	0.5
94.06554	1.0
95.04935	0.4
108.04482	0.5
116.19584	0.4
116.69731	0.5
118.06580	2.5
121.02924	0.4
130.06490	0.5
143.07277	0.4
144.08049	1.1
146.06030	4.0
165.87431	0.4
178.05003	8.1
179.69644	0.4
182.05968	0.7
183.04398	1.6
188.07056	2.0
190.05042	0.5
198.05510	1.9
203.08368	0.8
204.08081	2.5
210.05402	0.6
226.05049	2.8
227.05576	0.7
228.08141	4.3
229.08873	2.3
230.09645	3.0
232.07599	2.6
232.11234	0.7
233.08282	0.9
236.05573	0.7
238.06604	0.7
240.08087	2.8
241.08894	4.0
242.07187	1.1
242.09660	3.2
246.09123	1.0
248.07083	3.7
249.07780	0.5
250.08623	1.7
252.06531	7.1
254.08411	0.7
255.09154	6.9
256.07581	4.4
257.08365	0.8
258.09259	2.2
260.07089	0.8
260.10599	0.5
261.07794	0.5
262.08630	0.9
265.07602	0.7
266.05664	0.7
266.08221	6.9
268.07562	0.7
273.10196	0.7
274.08615	0.9
276.06567	10.8
276.10193	8.7
277.07291	0.9
277.10336	0.5
278.08047	1.1
280.05884	0.5
282.07886	0.9
283.08670	100.0
284.09497	4.9
285.07660	0.7
285.10364	0.7
286.08600	0.5
288.06610	0.7
292.09683	0.9
300.08820	1.2
301.09711	9.0
302.08179	1.4
303.11331	1.2
306.33890	0.5
311.08218	0.9
319.10770	21.8
320.11279	1.0
321.12350	1.4
329.09177	1.6
347.10236	1.0
352.97849	0.5
365.11334	66.0
366.11676	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	365.15
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	0.3
57.03428	0.2
64.31229	0.2
65.03937	1.1
67.05514	0.6
67.09332	0.2
69.03452	0.2
69.07091	0.3
69.57720	1.2
79.05508	0.3
81.07063	0.9
83.05000	0.2
85.02895	0.2
91.05489	14.6
93.07056	0.6
95.08627	0.6
95.65021	0.2
97.06516	0.3
98.21434	0.4
105.07046	0.5
107.08574	0.5
108.70461	0.2
109.06502	0.3
109.10181	0.6
117.07014	0.3
119.04954	30.1
121.06509	0.2
121.10169	0.4
127.03948	0.5
131.08549	0.2
132.08060	0.5
133.10223	0.2
135.11682	0.3
143.07330	0.2
146.06062	0.3
147.04422	100.0
148.04750	1.2
149.09639	0.2
151.07607	0.2
157.10246	0.2
158.16980	0.2
159.09178	0.9
160.07590	5.3
165.12683	0.2
170.06013	0.7
176.31389	0.2
178.04996	0.6
183.67258	0.2
185.07109	0.3
202.08646	6.2
211.08565	0.3
212.89433	0.2
219.11313	3.0
242.14395	0.2
329.21097	0.4
365.10889	0.5
365.15048	0.4
365.23599	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	4.5
55.05521	12.9
57.07072	4.6
67.05515	21.4
68.99792	7.1
69.07077	15.0
69.21291	2.9
69.60726	10.0
69.61150	7.5
71.05008	3.5
72.45249	2.3
79.05480	12.8
81.07063	31.7
83.04983	7.6
83.08618	11.6
85.02905	24.6
88.07633	9.0
88.08182	2.5
91.05481	10.0
93.07051	19.0
95.04986	4.4
95.08616	27.8
97.06554	11.9
97.10169	5.8
105.07047	10.9
107.04953	4.0
107.08585	15.9
107.71381	3.1
109.06493	5.2
109.10150	13.4
111.00799	19.8
111.04435	5.4
117.07062	2.9
117.99022	2.9
119.08595	14.3
121.10177	9.3
123.08080	8.3
125.09632	2.6
127.03942	7.6
131.08543	2.7
132.10243	3.4
133.10133	9.3
135.08060	6.5
135.11780	2.9
137.09631	4.3
139.03903	35.8
145.10190	3.5
147.08041	4.2
147.11739	2.9
149.05980	2.6
149.09593	3.7
149.13290	4.5
151.07545	3.7
151.11266	4.0
161.13298	5.0
165.09152	2.8
167.07086	3.6
175.11229	2.5
175.14798	12.8
179.10750	3.2
185.13264	5.3
193.15936	6.0
195.10229	6.2
199.14850	3.9
203.14331	2.8
209.11603	3.1
221.15257	12.7
229.93709	3.1
235.17055	3.2
240.30946	2.8
245.70245	2.4
251.16507	6.8
263.16446	3.9
271.28345	7.5
277.18015	48.9
279.16003	13.6
279.19641	7.3
287.16333	3.1
305.17477	46.1
305.20645	4.4
315.31192	3.3
321.17050	3.2
321.20544	28.3
363.17960	13.8
363.21744	100.0
363.26187	5.9
363.32986	43.6
364.22025	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	364.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
55.01883	0.9
57.03427	1.1
58.69773	0.8
61.02910	1.5
69.03418	4.0
70.03403	3.2
74.03246	0.7
79.05479	2.9
81.03408	1.8
85.02904	6.3
85.06564	0.8
90.05544	2.7
91.05481	1.4
95.04980	1.8
97.02882	2.4
98.20776	1.1
101.94743	0.8
107.04962	13.7
109.02865	2.4
115.03966	0.9
119.04930	1.4
123.04427	0.8
124.07589	1.0
127.03928	1.4
133.06476	2.9
135.04425	9.7
142.08675	0.9
145.04913	1.4
147.04398	3.3
149.06033	1.0
152.04686	17.8
167.07054	100.0
168.07283	1.2
184.09767	0.9
185.08104	40.7
202.10669	3.8
203.05260	1.6
220.11740	1.1
274.06833	1.0
285.60571	0.8
289.86658	0.9
293.10226	0.9
328.13977	1.0
364.09485	1.8
365.10428	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	365.0638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.1
56.75999	4.1
56.96572	38.2
67.05504	4.8
69.03410	11.2
70.06619	4.7
71.55466	4.2
84.08212	4.5
85.02908	12.0
90.12350	3.7
90.12970	3.6
91.05527	4.8
98.97575	26.5
99.08076	10.2
107.04992	5.2
107.08551	5.0
107.96957	4.1
109.02853	4.7
110.97579	10.0
116.98648	19.5
119.05009	5.2
123.04479	5.6
125.92460	3.8
127.03931	7.0
128.06281	5.1
128.98621	20.5
134.99623	7.8
145.06412	4.7
146.99603	11.2
147.04419	12.1
161.01302	7.3
168.16061	3.9
173.06006	5.3
177.00766	6.9
195.03316	6.8
197.50067	4.2
213.04315	9.4
217.07932	5.7
219.01862	10.2
221.01112	4.9
231.11195	6.2
237.02832	17.2
239.02303	27.4
241.09793	4.7
244.09776	9.0
247.32010	4.7
257.03333	14.6
260.03973	4.0
263.08530	88.0
263.12900	4.4
281.03433	4.8
320.10626	7.8
347.11884	8.6
365.05606	90.7
365.12723	13.0
365.21313	4.7
366.11203	100.0
383.06528	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	363.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10957	0.9
67.05511	1.1
68.61179	0.8
70.53841	2.5
71.04993	1.7
95.04975	1.2
110.06029	1.3
113.06017	1.9
125.51896	0.9
125.54073	0.7
128.11014	0.7
131.04858	0.8
134.06018	1.1
138.72275	0.9
144.08127	1.0
148.03949	0.7
152.03477	0.8
154.06491	0.9
156.06592	2.8
160.03996	1.3
162.05527	8.4
170.09686	1.4
171.09218	2.0
172.07562	0.9
178.05014	3.6
180.08104	0.9
182.06030	1.2
184.06087	4.3
184.07527	1.9
187.05037	2.3
197.07054	2.1
197.10733	1.8
198.09195	3.7
199.08797	5.4
199.12489	1.2
200.07147	2.3
200.10825	0.9
210.09164	2.5
212.07249	1.5
212.09235	1.6
216.06493	0.9
222.58470	0.9
225.06635	2.2
225.10159	3.9
226.04979	1.2
226.08652	3.4
227.08127	6.0
227.11829	2.3
228.06654	1.4
239.69313	0.9
240.06789	1.0
241.09793	0.9
243.07695	2.1
243.11424	2.3
244.09860	1.6
246.07751	1.3
253.09691	5.9
254.08150	7.0
255.07664	5.1
255.11224	4.7
256.05872	1.0
271.10825	8.7
272.05655	1.9
272.09210	2.4
273.12415	1.3
281.09274	3.5
282.07654	2.5
284.08093	1.3
290.06693	1.1
299.10269	33.0
300.08667	12.7
301.11798	3.5
317.11356	16.9
318.09647	1.0
327.09747	8.6
328.08090	12.1
328.11548	1.2
345.10837	46.1
363.11871	100.0
364.12238	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1802
Annotation	3,4,5,3',4',5'-Hexamethoxybibenzyl
Peak:m/z	Relative Intensity
52.01490	0.2
53.03941	0.3
54.79074	0.2
55.01871	2.1
55.05263	0.4
55.05516	6.7
57.03435	0.8
57.07078	2.3
59.05004	0.3
67.01867	1.4
67.05508	4.6
68.99430	0.5
68.99793	6.2
69.03433	0.9
69.07074	13.9
70.27712	0.3
70.28059	0.9
70.83951	0.2
71.04996	1.2
71.08624	1.1
79.05499	3.5
81.03432	1.0
81.06575	0.4
81.07063	8.5
83.04984	2.2
83.08627	9.2
85.02888	0.8
85.06509	0.6
85.10199	0.4
89.96266	0.3
91.05486	1.5
93.07055	7.1
95.04969	1.0
95.08616	6.2
97.02884	1.1
97.06541	5.1
97.10173	4.1
99.04445	0.3
99.08105	0.5
105.07035	1.2
105.93892	0.3
107.04973	0.9
107.08605	6.7
109.06533	0.8
109.10168	3.2
111.00814	18.7
111.04449	3.9
111.08097	2.6
111.11726	0.5
113.06041	0.4
113.09616	0.2
115.13675	0.2
117.07002	0.4
119.08573	1.4
121.06512	1.4
121.10156	4.5
123.04426	0.9
123.08081	1.4
123.11739	1.2
125.06016	2.5
125.09629	2.7
126.03154	0.6
127.03924	9.1
131.08582	1.8
133.10107	1.3
135.08069	2.2
135.11700	2.3
137.06012	0.3
137.09648	0.8
139.03912	38.0
139.07515	1.9
139.11174	0.5
141.05515	0.4
145.06522	0.3
145.10152	0.8
147.11693	1.1
149.05992	0.9
149.09647	1.4
149.13278	3.5
151.07645	0.5
151.11215	0.5
153.05486	1.1
153.09085	2.0
157.08623	0.3
159.11717	0.8
163.07552	0.9
163.11159	0.3
163.14847	3.7
165.09096	0.6
165.12816	0.4
165.16400	0.4
167.07074	1.9
167.10718	0.9
167.14330	0.9
171.10191	0.8
173.13278	2.4
175.11232	0.3
175.14906	0.4
177.09190	0.5
177.12730	0.5
181.08592	2.7
181.15924	1.0
185.11909	0.4
187.14868	0.5
191.14360	3.6
193.12263	0.3
195.10175	2.8
195.13860	0.6
205.04924	0.3
205.15981	0.9
209.11887	2.0
209.15370	8.2
215.14351	0.4
227.16426	4.1
229.17979	1.9
233.15363	0.8
234.73714	0.3
237.14864	2.7
251.16451	40.3
252.16812	0.5
261.14966	0.8
273.63290	0.3
277.18091	0.3
279.15930	55.4
280.16382	0.9
295.19083	4.9
305.13800	0.5
319.19043	0.6
321.16998	13.7
345.16953	1.3
363.18039	100.0
364.18405	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	363.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95583	1.1
63.83227	1.5
67.05510	2.6
70.09205	5.4
71.04993	12.3
82.06542	1.4
83.04950	2.9
94.06573	10.4
95.04955	5.2
107.04965	7.6
108.04453	2.2
110.06038	3.4
111.04414	5.9
113.06007	4.4
121.06477	1.8
134.06004	5.0
135.04436	10.0
136.07574	1.7
138.05519	12.9
149.05966	2.5
152.03442	5.8
152.07074	4.9
154.06514	2.0
156.06563	7.5
158.09668	3.7
160.03949	3.7
162.05493	4.8
166.08600	2.0
170.06021	2.2
170.09651	3.4
171.06763	1.9
172.07506	2.4
178.05006	11.4
180.06587	6.7
183.06769	2.1
184.06053	12.9
184.07623	3.3
185.08385	1.8
186.05435	1.9
186.09178	10.5
187.05035	10.6
190.04961	1.8
191.46912	1.5
198.05515	3.1
198.09160	6.5
199.08591	2.6
200.07138	9.0
200.10696	3.2
205.06099	3.8
210.09169	2.0
213.10010	1.8
214.08679	5.9
215.11862	3.4
216.06583	2.3
216.10196	1.8
222.07889	1.4
225.10304	2.0
226.04984	6.1
226.08704	6.1
227.08136	5.4
227.11795	2.9
228.06485	7.3
230.08072	5.3
232.09721	4.1
233.12860	4.0
240.06551	2.5
241.09688	4.0
242.08072	3.0
243.07530	3.6
244.06104	7.2
244.09749	5.3
246.07719	4.6
246.11295	2.4
253.09726	6.3
254.04240	1.7
254.08104	9.9
255.07666	5.5
255.11400	2.8
256.05994	3.8
256.09714	2.6
258.07697	2.9
259.10773	9.3
260.05521	2.1
270.09973	1.8
271.10791	7.3
272.05560	13.3
272.09183	8.6
273.12332	8.3
274.07504	1.5
274.10648	3.1
276.08707	5.9
281.09259	6.1
282.07632	3.6
283.07181	2.8
284.09058	1.8
290.06625	11.5
290.09860	2.7
291.13403	1.8
299.10205	9.0
300.08621	21.0
301.11877	24.3
317.11343	4.0
318.09674	12.1
319.12955	3.7
327.09763	25.5
328.08139	38.1
335.12396	3.4
345.10822	91.7
346.09033	16.5
363.11859	100.0
364.12534	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30074	0.7
56.96571	12.4
67.64635	0.7
68.96591	0.7
69.03432	2.2
71.56462	1.3
84.96055	1.2
85.02905	3.8
87.04511	0.7
91.05483	1.4
93.35555	0.7
97.02892	1.7
98.97593	100.0
101.00894	2.2
101.77788	0.7
105.07056	0.9
107.04952	1.3
109.02917	1.2
110.97577	1.4
112.07616	1.2
115.03926	3.7
116.98634	53.0
117.03355	1.1
119.01965	5.4
119.04948	2.5
120.05262	1.0
123.04488	1.0
123.70072	0.7
127.03899	1.7
128.98611	2.4
131.00143	0.9
131.01912	2.4
133.06511	5.3
134.99673	18.2
135.00652	1.4
135.04449	1.0
137.03035	0.8
140.00212	2.0
142.30229	0.8
143.00200	0.9
143.01921	5.1
145.93703	0.7
146.99672	1.7
147.04414	6.8
148.04787	3.0
153.00778	2.2
158.99673	52.4
160.00056	1.1
161.02986	7.9
161.05927	0.9
163.02779	1.0
163.03859	4.8
164.04263	1.2
173.02913	0.9
174.04387	2.0
177.00731	62.4
186.04463	1.4
189.00748	1.2
195.01788	4.3
200.02365	3.0
201.00719	1.2
201.04347	3.7
203.04037	3.7
207.05054	1.4
219.01782	44.3
219.05273	1.6
221.03078	1.6
222.03249	2.0
235.63168	0.8
237.00710	2.9
237.02898	4.8
237.06163	1.4
239.02391	1.3
243.05319	5.2
253.03740	1.0
257.03360	1.0
260.04538	0.8
261.06122	1.4
269.03351	1.0
273.06131	1.6
275.07773	1.3
279.06821	0.9
291.07132	0.8
303.07562	9.7
306.81146	0.8
321.08588	12.9
339.91046	0.7
361.62112	0.7
363.09354	15.2
381.10779	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59721	0.4
51.02374	0.9
53.03709	0.8
53.03951	12.9
53.83255	0.4
54.03124	0.4
55.01862	1.9
55.05494	0.6
57.03434	1.0
57.10371	0.4
64.01189	0.4
65.03931	1.3
67.01863	0.5
67.05514	2.5
68.99784	1.0
69.03429	3.4
69.07067	0.8
69.97469	2.3
72.90371	0.4
77.03925	0.6
79.05495	21.6
81.03418	10.0
81.07059	3.6
83.04994	1.1
83.08611	0.5
85.02910	5.1
91.05485	13.6
93.03363	0.7
93.07040	2.0
95.04971	5.0
95.08610	1.3
97.02884	1.4
97.06546	1.0
101.02459	0.5
103.05460	1.6
105.03407	3.4
105.04504	0.8
105.07023	4.1
107.04961	23.2
107.08611	1.1
109.02841	0.5
109.06549	0.8
109.10139	0.7
113.02376	11.2
115.05450	3.3
116.06226	0.9
117.07034	5.6
119.04942	2.0
119.08595	4.4
121.06467	1.0
123.04428	1.6
123.08051	0.4
123.11649	0.7
126.84753	0.4
127.03892	0.7
128.06215	4.0
129.07018	13.3
131.03401	3.6
131.04922	1.8
131.08578	5.7
133.06488	2.3
133.10191	0.9
135.04419	5.5
135.08101	0.8
137.05995	0.6
139.03845	0.6
141.06989	4.2
142.07782	5.2
143.04929	0.8
143.08597	4.3
144.05679	1.2
145.06497	3.7
145.10147	0.6
146.07199	0.5
147.04402	3.2
147.08020	1.0
147.11781	0.5
149.06024	0.6
149.09572	0.5
152.06226	4.0
153.05478	1.7
153.06932	1.2
154.07840	0.7
155.06004	0.5
155.08562	2.0
157.06514	4.9
157.10126	6.3
159.08070	23.9
160.08415	0.5
161.05957	1.5
165.05481	9.6
165.06992	3.5
166.07797	0.9
167.08571	14.0
169.06467	0.8
169.10190	0.5
170.07274	1.6
171.08031	2.7
173.09679	0.6
175.07666	0.5
179.07092	0.6
183.08118	1.4
185.06046	3.1
185.09625	12.0
187.07579	2.6
187.11169	1.9
195.06461	0.8
195.08075	6.5
201.09201	0.6
203.07063	1.5
203.10699	1.3
205.08643	6.2
208.62245	0.5
211.07542	0.7
213.09114	100.0
214.09438	2.0
215.71724	0.5
220.56424	0.5
231.10178	27.2
232.10464	0.6
235.99678	0.4
236.30655	0.5
241.08678	0.9
249.07422	0.7
249.11395	2.8
251.16396	0.7
257.08292	0.7
259.09698	4.9
275.09134	1.0
277.10712	8.9
299.09140	5.8
317.10199	16.1
318.10474	0.7
333.04169	0.9
335.11237	5.1
351.05255	5.5
363.05222	1.3
363.10806	1.6
363.17499	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34746	1.4
54.75291	1.6
55.01889	1.7
55.93532	1.5
57.03441	2.5
61.02921	3.9
66.23669	1.6
67.05508	2.1
69.03433	8.8
69.06715	2.9
69.07073	35.8
70.06586	5.0
70.90675	4.3
71.04993	2.2
72.93781	3.0
73.46609	1.7
77.00703	1.5
81.03423	4.8
85.02426	2.3
85.02912	31.4
93.07034	2.3
94.06571	2.5
95.04989	5.6
97.02901	10.9
97.06538	4.9
107.04939	2.1
109.02872	2.5
110.06049	2.3
112.07600	5.4
119.04964	2.6
121.06508	1.7
123.04436	52.9
127.03915	6.7
134.06042	1.9
135.04454	2.2
137.05992	6.1
140.07086	42.6
140.08020	1.5
145.04979	8.0
147.04434	3.5
158.97435	2.3
165.05489	38.0
168.06578	100.0
180.08585	2.6
182.08160	11.3
183.06604	5.5
183.10205	1.8
186.09166	2.6
200.09163	18.5
205.06224	2.8
210.07620	18.6
214.05170	1.7
216.98045	2.7
217.80980	1.7
234.07658	2.3
234.99001	4.2
242.10199	2.2
244.06009	2.1
248.00024	1.7
259.10876	2.4
272.09094	1.8
276.08636	3.1
290.06497	1.6
299.10272	2.0
299.66095	2.0
300.08694	3.9
301.11752	2.9
316.05191	2.2
318.09964	3.8
327.09793	6.6
328.08090	6.8
344.04987	2.0
345.10861	14.6
346.09293	3.8
362.10385	2.2
363.01608	4.9
363.07440	2.4
363.11765	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	363.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.0
53.32263	1.6
55.01870	5.2
57.03432	3.3
59.05004	8.8
61.02916	2.9
68.99789	1.8
69.03429	16.5
69.91560	6.3
71.04996	2.4
73.02909	4.1
81.03423	17.8
85.02908	32.1
87.00832	13.2
87.04472	25.9
91.05469	1.7
97.02895	12.0
98.20811	1.8
99.04462	5.2
99.75227	1.1
105.01866	10.7
109.02884	17.9
115.03934	100.0
117.01893	1.6
118.96806	1.3
119.04923	3.2
127.03928	27.4
129.01843	2.1
133.06523	2.1
145.04982	8.7
147.03035	1.2
147.04395	4.1
148.04742	1.5
159.02890	8.9
179.37733	1.3
196.98985	3.6
220.00688	2.2
221.98949	1.3
231.05016	5.4
252.97969	5.3
354.79526	1.1
363.08411	1.8
364.01013	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64647	1.3
55.01889	2.1
56.96572	10.5
61.02906	1.4
69.03416	4.6
71.55202	1.6
71.55582	1.7
73.02929	2.0
76.66313	1.3
79.05492	2.8
85.02906	6.6
89.03926	11.0
91.05476	9.1
97.02906	3.6
97.89487	1.4
98.40328	1.5
98.97588	11.6
101.00892	2.3
107.04973	3.3
115.02419	1.4
116.98605	7.5
117.03371	10.0
119.01934	8.4
119.04935	24.9
119.07288	1.9
120.02029	4.2
121.01665	1.6
127.03950	2.5
128.98592	2.1
129.04173	1.5
131.01880	2.3
131.04932	1.8
133.06577	1.5
134.99713	3.7
135.04413	22.0
136.06180	3.0
143.01877	1.9
145.02789	11.7
146.99626	2.3
147.04410	80.9
148.04747	4.3
161.02972	3.7
163.03915	100.0
164.04254	4.1
171.05069	1.8
173.19247	1.5
174.04413	1.9
177.00682	3.4
191.03876	4.7
195.99489	1.5
200.04649	6.3
204.05460	1.9
205.03732	2.9
211.02879	1.8
219.01834	4.9
220.02200	1.7
221.01192	2.8
221.02994	45.1
221.04965	2.3
222.03232	3.0
222.05196	2.3
239.01985	11.9
239.04369	9.8
240.04060	2.4
242.05754	1.5
245.01352	2.3
250.02640	5.2
257.03317	12.2
261.02530	9.1
263.04153	4.3
267.03488	2.4
268.03696	6.5
273.08267	4.2
279.03729	13.3
281.05069	2.6
294.10779	2.0
297.02911	4.8
316.13712	2.4
324.09875	2.2
338.31903	1.6
362.06186	1.9
364.88242	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.7
53.56734	1.8
55.01877	4.2
55.05260	2.2
55.05517	33.8
57.03441	23.6
57.07064	5.7
57.20737	1.4
58.53391	1.5
59.05002	1.7
65.03929	2.5
67.05166	2.6
67.05509	34.3
69.03433	3.0
69.07072	41.1
71.05003	7.9
71.08617	1.9
71.57181	2.0
73.06573	1.4
74.53442	1.3
79.05501	20.2
79.06834	1.4
79.36270	1.4
81.07064	52.7
83.04969	5.5
83.08628	47.3
84.63298	1.6
85.02956	1.9
85.06557	5.3
87.04522	1.5
91.05475	9.8
93.07056	46.7
95.04964	4.6
95.08621	22.3
97.06546	19.6
97.10188	10.3
99.08099	2.6
101.06036	2.6
105.07022	9.3
107.08607	34.3
109.06526	3.7
109.10167	15.1
111.08099	16.5
111.23901	1.4
115.05452	2.1
115.07605	4.2
117.07026	3.2
119.08591	4.3
121.10143	20.7
123.11707	3.7
125.09639	5.2
125.13298	2.5
127.03902	2.0
129.07043	2.0
129.09152	1.6
131.08582	6.9
133.10179	5.5
135.11710	6.4
142.07655	1.7
143.08612	1.7
145.10136	3.6
147.11717	2.5
149.13281	57.8
151.07565	2.9
157.10175	3.5
159.11714	13.5
167.14349	31.5
171.11667	1.9
173.13315	2.4
174.96909	2.4
177.12752	6.4
185.13289	2.0
185.15398	2.9
189.12834	2.5
195.12117	1.7
195.13835	5.8
213.14938	4.6
217.05043	2.2
227.18140	1.6
231.15932	100.0
232.16273	1.9
240.61249	1.6
241.08611	2.1
269.17493	28.8
269.22482	2.4
287.18561	27.2
343.21262	6.3
361.22278	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.1
55.01868	4.8
55.05262	1.8
55.05515	31.0
57.03187	1.8
57.03442	22.7
57.07075	7.3
58.63440	1.2
59.05000	1.2
59.23917	1.1
67.05177	1.9
67.05511	32.0
69.03401	1.4
69.07072	45.7
70.96273	2.2
70.96613	1.3
71.04994	7.9
71.08627	4.2
73.06559	1.3
75.04468	3.9
79.05500	20.3
81.03432	2.4
81.07066	48.1
83.04979	4.5
83.08623	49.7
84.08949	1.1
84.60925	1.0
85.02901	1.3
85.06548	4.6
85.10177	1.3
91.05472	8.6
93.07048	41.5
95.04951	3.8
95.08617	25.1
97.06535	25.1
97.09573	1.4
97.10159	9.9
99.08092	3.3
100.11241	2.2
101.06030	2.6
101.09684	1.4
105.06414	1.0
105.07025	6.6
107.08601	33.8
109.02894	2.0
109.06533	2.6
109.10160	11.9
111.08097	17.7
115.07607	2.1
117.07014	3.9
119.08576	2.7
121.06528	1.7
121.10162	16.8
121.25581	1.0
123.08064	1.7
123.11699	4.2
125.09624	4.7
125.13263	3.1
129.09163	1.9
131.07045	1.3
131.08563	4.7
133.10121	5.7
135.08115	1.2
135.11708	7.6
137.09586	1.4
139.03889	1.7
143.08543	1.5
145.10066	2.5
147.11673	1.6
149.13266	59.3
149.69809	1.1
150.13557	1.5
151.11095	1.3
157.10129	1.9
159.11696	11.1
161.09560	1.3
161.13237	1.8
167.14342	30.3
171.11697	1.1
177.12775	4.7
185.15411	2.7
195.13809	7.5
197.78185	1.1
213.14838	4.5
231.15929	100.0
232.16306	2.7
269.17496	27.7
287.18542	29.4
317.13943	2.7
339.70306	1.1
343.21127	6.0
361.22284	34.4
362.22333	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36223	1.1
50.43683	1.1
51.84501	1.1
53.03942	2.8
55.01870	5.2
55.05263	1.8
55.05513	28.9
57.03183	1.5
57.03438	20.5
57.07076	7.2
59.04996	3.4
67.05506	34.8
69.03437	1.7
69.07069	47.7
69.40098	10.2
71.04999	8.2
71.08612	3.5
73.06551	1.6
75.04474	2.8
76.54314	1.1
79.05499	19.4
81.03405	3.5
81.06573	2.5
81.07060	49.7
83.04974	3.4
83.08621	50.0
85.06558	6.1
91.05489	10.4
93.07047	45.1
95.04981	2.7
95.08054	1.6
95.08613	23.8
97.06538	20.5
97.10174	10.2
99.08080	5.3
100.11237	2.0
101.06008	2.8
101.09682	1.2
105.07018	5.8
107.08596	34.9
108.80421	1.1
109.02887	2.0
109.06497	2.1
109.10149	11.8
111.08083	18.3
113.06007	1.4
113.49791	1.1
115.07560	2.9
117.07022	4.2
119.08571	5.4
121.10144	18.6
123.08030	1.3
123.11704	4.4
125.06064	1.4
125.09617	5.4
125.13249	2.7
129.01843	1.4
131.07059	1.4
131.08565	5.2
133.10115	4.6
135.11700	6.4
145.10181	1.9
147.11713	3.3
149.13266	60.5
150.13559	1.3
150.96712	1.1
151.07581	1.3
159.11688	10.4
161.13338	1.6
167.14331	36.6
171.11729	1.3
177.12776	8.0
195.13728	6.2
213.14790	5.8
231.15918	100.0
232.16240	2.7
245.17441	1.3
269.17474	28.1
287.15488	2.4
287.18539	32.4
287.21747	1.7
343.21277	6.6
361.22311	32.0
362.10373	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
61.02911	1.1
69.03410	2.4
71.56582	1.0
85.02900	4.8
90.69702	0.8
91.96996	0.8
95.62250	0.9
120.45229	0.9
121.02884	2.2
133.02841	3.1
135.04422	3.4
148.07579	1.1
149.02351	100.0
150.02725	2.0
160.98325	0.9
163.03915	67.9
167.03343	0.8
178.05011	1.6
181.04965	27.0
191.08250	1.0
198.53505	1.0
207.54076	0.9
211.08662	2.3
213.10156	1.2
213.51297	0.9
227.08173	1.4
227.12003	1.4
229.09663	0.8
241.09740	0.8
244.21138	0.8
255.11287	1.8
269.12833	1.8
273.08636	1.5
297.12152	2.3
315.13400	7.0
332.16077	1.2
343.09244	2.0
360.11777	0.7
360.15494	18.3
361.10376	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	361.103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.7
64.65388	1.0
69.03426	2.0
70.00894	3.1
78.15582	0.9
81.03396	1.0
83.04977	5.5
98.20834	1.0
108.04505	1.3
108.84845	0.9
110.06049	1.2
111.04446	2.8
127.98765	0.9
128.06192	1.5
130.04988	0.8
130.06544	2.8
134.06064	1.0
137.05954	1.2
138.05507	1.2
143.08603	1.4
144.08083	0.9
148.03906	1.0
154.06552	1.8
156.08115	1.7
159.09138	4.3
160.03935	3.8
162.05528	2.0
167.07307	1.0
168.08153	1.8
169.07610	1.5
170.06036	3.6
170.08351	1.0
170.09689	1.6
171.09209	1.8
172.07590	2.8
178.04994	3.2
179.05946	0.9
180.08078	1.5
181.07664	1.3
182.08363	1.9
183.06895	1.1
183.09314	1.6
184.06281	2.0
184.07704	1.2
185.07101	2.6
186.05515	1.3
187.08749	1.9
187.12495	1.6
188.07042	1.7
195.05547	1.6
196.07610	2.2
196.10007	0.9
197.07108	21.5
197.10738	1.4
198.07605	1.1
198.09200	2.6
199.08675	19.5
200.07210	1.6
200.09074	1.1
200.10985	1.0
209.07118	1.5
210.07813	1.7
211.08701	2.5
213.06593	23.4
213.10030	5.0
214.07210	1.1
215.08151	8.9
223.08612	2.5
224.07048	2.5
224.09061	0.9
225.06625	16.0
225.10114	6.7
226.08806	2.1
227.08189	17.5
227.11771	2.5
229.09755	1.6
231.07735	1.1
238.07419	1.1
239.08136	1.5
241.06102	14.6
241.09679	6.7
243.07726	5.6
243.11273	1.7
245.09189	2.9
251.08197	1.4
252.06374	1.0
253.09799	4.4
254.08185	3.8
255.07701	11.5
255.11301	2.3
259.07159	10.4
269.09207	17.0
271.10751	7.7
273.08713	3.1
279.07635	1.2
281.09262	3.0
287.10263	2.2
297.08737	35.8
297.11871	1.7
299.10309	12.5
315.09769	31.8
315.13385	2.1
316.72635	1.0
317.11261	3.5
325.08130	1.4
333.10919	1.1
343.09271	66.6
344.09625	2.3
361.10336	100.0
361.14441	5.4
362.10660	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
53.03932	3.0
57.03434	4.7
61.02921	7.7
69.03427	21.6
69.28534	27.1
71.04993	3.8
73.02901	3.3
81.03411	10.4
85.02911	100.0
91.03940	3.6
91.05459	2.9
93.03416	8.0
97.02897	22.9
99.04446	7.0
107.04916	4.4
109.02876	7.1
111.04438	19.9
119.04943	2.5
127.03922	22.6
135.04428	31.3
139.03920	55.6
145.04965	40.7
163.03902	21.9
163.05984	3.4
180.08665	11.3
181.04970	86.0
198.04448	4.6
198.07640	4.0
315.76093	2.7
345.50052	2.6
360.13153	7.0
361.10916	5.3
367.44247	2.9
382.12881	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
54.78083	0.5
55.01862	0.7
57.03437	1.1
61.02927	2.1
66.67071	0.5
69.03441	3.4
69.93134	1.0
69.93537	1.7
70.06596	1.2
71.05003	0.7
73.02914	0.5
79.05495	0.8
81.03428	2.3
85.02912	13.6
86.09698	0.7
89.03934	3.3
91.03940	0.9
91.05434	0.6
95.04950	0.7
95.63215	0.5
97.02898	4.0
98.20838	0.6
99.04492	0.5
100.80151	0.5
107.04977	2.0
109.02879	1.1
111.04477	1.3
112.07552	0.6
117.03374	5.6
127.03918	3.2
135.03395	0.9
135.04431	16.9
135.05420	1.1
137.06013	0.8
137.08278	0.5
138.09134	0.9
139.00113	0.5
139.03891	1.0
145.02866	9.9
145.04950	2.9
146.05997	0.6
147.04366	1.2
163.03922	100.0
164.04263	1.4
180.08728	1.1
180.10222	2.1
181.04976	39.3
182.05319	0.8
194.91792	0.5
198.11293	2.1
200.00076	0.5
201.17485	0.5
207.07990	0.7
235.07516	1.4
239.07056	0.6
252.10422	0.6
273.08893	0.5
281.08383	0.6
320.65549	0.5
360.10678	0.6
360.23914	0.6
361.10269	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	1.0
55.00070	0.9
57.03432	1.1
67.05489	1.4
69.03442	4.7
69.50345	6.0
70.03777	0.9
71.04984	0.8
77.49348	1.0
79.05496	2.0
81.03419	4.6
83.96200	0.9
85.02910	16.8
86.09707	1.3
87.11521	1.1
89.03931	2.3
91.05483	1.4
97.02880	4.5
98.20825	2.3
99.04442	1.2
106.07372	1.0
107.04932	2.6
107.08585	4.3
108.08899	5.1
109.02894	1.8
114.05473	1.0
117.03403	5.3
117.07043	1.0
123.04431	41.4
123.92652	0.9
127.03913	3.5
133.10112	1.5
134.10466	1.5
135.04422	14.7
135.08046	1.2
135.11674	1.4
136.12057	1.3
137.09602	1.3
139.03870	1.9
145.02873	10.3
145.04907	3.5
145.06483	1.1
147.48769	1.0
163.03918	100.0
163.07561	13.1
180.11035	2.1
181.04965	35.3
181.08565	3.8
196.93317	1.0
197.11745	6.1
198.12123	8.9
258.26971	1.3
264.88461	1.1
315.05032	1.7
331.74243	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33905	1.1
59.05002	1.4
61.02915	1.4
67.05514	1.4
69.03425	4.8
70.53157	1.4
70.53509	2.9
78.71454	1.2
79.05499	1.2
81.03411	2.0
85.02914	19.2
91.05489	4.3
93.07071	6.1
95.05019	1.4
97.02904	4.0
99.04446	1.2
105.07026	6.4
107.08599	19.1
109.02895	2.1
109.06548	1.7
109.10155	1.6
119.08585	4.0
121.06502	2.7
123.04465	1.3
125.39924	1.3
127.03910	3.1
132.67569	1.0
133.10144	21.4
135.11697	17.7
145.05020	2.5
161.09618	10.7
179.10678	32.3
197.11742	100.0
198.12041	1.7
221.37585	1.1
343.70099	1.3
356.81946	1.2
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	Unknow
Peak:m/z	Relative Intensity
51.80474	1.6
55.05509	3.0
67.05498	3.4
69.03438	3.8
70.16809	4.5
70.17200	2.9
79.05486	3.3
81.07046	5.9
85.02925	9.9
86.09708	6.0
91.05486	4.9
93.07056	5.7
97.02891	3.0
101.06080	2.0
105.07050	6.5
107.08600	31.1
108.80653	1.8
109.10178	2.2
119.08601	5.4
121.06654	2.0
121.10159	6.5
127.03868	2.4
131.08580	2.9
133.10127	18.8
135.07997	2.0
137.02359	2.4
137.05994	3.6
137.85179	1.9
139.07532	2.5
145.04999	2.3
151.03760	1.8
151.11226	9.2
161.09674	3.3
167.10655	12.8
179.03409	3.5
179.10713	14.8
197.11746	100.0
252.55531	2.1
262.98019	1.5
279.10168	2.2
359.19742	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	359.17
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96548	1.0
51.81599	1.0
57.20858	1.1
58.78959	1.0
59.05006	1.3
69.03418	4.1
69.45512	6.5
69.45939	2.8
79.05490	1.3
85.02901	13.9
87.17152	1.2
91.05465	3.6
93.07052	6.7
95.04950	2.3
97.02879	3.1
98.20781	2.4
105.07048	5.4
107.08590	18.0
109.06509	1.2
109.10143	1.7
119.08532	1.7
121.06503	1.9
123.04475	1.3
127.03889	2.3
133.10127	16.5
135.11684	17.8
137.05946	1.4
145.04955	1.5
151.11142	1.1
161.09619	8.1
161.22003	1.2
179.10657	30.8
197.11731	100.0
198.12076	2.1
219.72421	1.1
255.79337	1.2
361.90067	1.2
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
50.02229	1.1
53.50212	1.1
54.32572	1.3
56.25724	1.1
58.76350	1.1
61.02896	1.1
69.03439	2.9
69.45610	9.2
79.05486	1.9
81.07047	1.4
85.02917	15.2
86.08969	1.3
91.05492	6.5
93.07048	6.3
95.04988	2.8
97.02894	3.7
98.20714	1.3
105.07050	6.4
107.08598	17.8
109.02866	1.5
109.10166	2.1
119.08590	2.1
120.89360	1.2
121.06477	1.3
127.03928	1.4
133.10147	18.2
133.40178	1.2
135.11703	20.9
137.09654	2.3
140.24646	1.3
151.11209	1.6
161.09636	10.1
179.10683	32.2
180.10939	1.5
191.33150	1.2
197.11743	100.0
267.86368	1.2
283.16251	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.17
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
55.25372	1.2
58.18473	1.2
61.02922	1.5
62.21234	1.5
68.23383	1.3
69.03439	1.5
70.82520	2.6
70.82865	2.4
77.80054	1.4
79.05474	1.6
81.07057	3.2
84.10004	1.2
85.02894	7.6
86.09695	2.0
91.05477	2.6
93.07034	4.8
95.08558	1.6
97.02885	1.7
103.38494	1.4
105.07037	6.6
107.08599	28.4
109.06538	2.1
109.10129	1.6
119.08597	4.6
120.09174	1.4
121.10118	6.4
123.11690	1.8
133.10138	18.0
137.05991	2.2
149.09604	4.5
151.11185	7.0
161.09633	5.2
167.10680	10.4
179.10667	15.8
197.11737	100.0
201.19122	1.2
238.41217	1.3
270.17657	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90722	0.5
53.03933	2.0
61.02915	1.8
63.32109	0.6
65.87485	0.6
69.03126	0.7
69.03438	7.2
69.86163	1.1
69.86574	2.2
70.06582	2.9
71.97964	0.6
73.02928	0.9
75.84880	0.5
77.03886	0.9
79.05473	0.8
81.03413	1.3
83.06090	1.1
84.04499	1.7
85.02903	3.8
86.09718	1.4
89.23736	0.5
91.05472	0.7
95.04955	2.1
96.04443	0.6
96.56293	0.6
97.02889	3.8
98.20988	1.5
99.04445	0.9
103.03930	2.8
103.05476	1.2
104.04992	5.3
109.02866	1.1
116.07100	3.1
120.08106	1.3
127.03913	3.9
128.13763	0.5
129.06642	0.8
137.02345	6.2
137.05945	1.1
138.06349	0.8
148.07520	0.7
149.91028	0.5
160.03981	1.7
162.05545	1.0
174.05492	1.0
176.07100	2.7
178.05003	100.0
179.05339	1.7
179.12744	0.7
188.07129	1.8
196.05998	4.3
197.08156	1.2
197.12953	0.8
197.14735	0.9
198.13289	0.7
202.05005	12.7
209.09569	0.7
215.15771	1.4
216.06543	3.4
220.06058	34.2
225.14282	0.7
232.06133	1.3
234.07582	1.7
244.06100	0.9
246.07870	0.7
262.07086	4.9
299.20346	0.6
304.08133	0.8
304.41907	0.6
320.06204	0.6
322.09250	1.2
340.10281	0.9
358.20819	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1132
Annotation	cyclo-Dopa 5-O-glucoside
Peak:m/z	Relative Intensity
53.03957	1.2
53.04179	0.2
55.01851	0.4
59.54216	0.2
61.02920	0.3
61.18660	0.2
69.03435	2.9
70.06592	0.3
71.00951	0.4
77.03944	0.6
85.02897	0.7
94.07365	0.3
95.04971	1.0
97.02901	1.9
99.04488	0.3
104.04987	3.1
109.02891	0.7
127.03959	1.4
132.04489	0.3
135.11737	0.4
136.12047	0.5
160.03894	1.3
178.05006	100.0
179.05353	1.6
196.06058	5.9
216.06609	0.5
220.06038	0.6
234.07663	1.4
262.07199	2.5
292.08243	0.4
322.09152	0.5
340.10355	2.0
380.04813	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.149
Annotation	myrocin A
Peak:m/z	Relative Intensity
50.21511	1.1
52.70094	1.1
53.03945	2.7
67.05506	3.7
68.99792	10.1
69.03426	4.9
70.88982	2.1
70.89342	2.2
71.04981	1.7
79.05502	18.1
81.03424	51.7
83.04978	2.2
83.49722	1.1
84.83342	1.2
91.05492	12.4
92.67896	1.3
93.07086	1.4
95.04971	5.6
103.05459	1.3
105.07032	2.6
107.04934	6.2
109.06537	5.1
111.00814	7.9
111.04443	12.0
112.66243	1.2
113.06019	56.4
115.05463	2.0
116.06257	2.8
117.07029	18.3
117.92677	1.3
119.08605	1.7
125.00756	1.2
129.07001	6.2
131.04938	19.2
131.08597	11.5
132.08881	1.1
139.03905	10.5
140.04716	2.9
141.06998	7.7
145.06502	10.2
151.07607	1.8
153.05455	4.3
155.08572	1.7
159.08073	65.4
160.08836	2.7
165.05530	1.5
169.10158	4.4
173.09563	1.3
177.05493	2.8
181.04979	41.7
187.07576	7.7
187.11180	2.7
197.09691	2.4
211.11195	1.9
213.12817	2.3
215.10669	7.5
219.10196	2.1
221.06194	2.3
221.08127	24.8
257.11725	6.3
271.09741	6.6
281.11682	3.8
285.11310	2.3
299.12808	100.0
300.13025	2.6
327.12338	31.0
345.13379	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	357.3
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.4
55.05267	2.1
55.05516	28.6
56.05843	2.4
57.03430	4.4
57.06825	1.4
57.07080	18.2
67.05505	21.2
69.03444	1.9
69.06727	2.2
69.07075	34.8
70.06607	10.9
70.07390	2.6
70.44336	5.0
71.05005	1.9
71.08634	8.8
73.92840	1.5
79.05500	14.8
79.69204	1.4
81.07063	27.4
82.84310	1.4
83.08628	22.9
85.06561	2.4
85.10174	4.0
88.07638	10.6
89.07954	2.6
91.03943	1.6
93.07056	16.3
95.08605	28.6
97.02900	1.4
97.06559	7.7
97.10169	16.4
102.09195	4.2
106.08659	5.0
107.08581	17.2
107.96132	1.5
109.10168	17.2
109.57590	1.4
111.08086	3.4
111.11713	4.2
121.10156	26.4
123.11727	7.0
125.09670	3.6
128.07710	1.3
135.11705	21.2
137.13255	1.9
139.11250	2.2
139.36424	1.4
149.13277	8.8
151.14812	3.5
153.12709	1.4
163.14795	4.6
165.16418	2.5
177.16409	2.1
179.17963	1.5
181.15752	1.6
191.17830	2.1
247.24223	23.3
265.25327	21.9
283.26184	1.9
313.02496	2.1
339.28876	14.0
339.34396	7.1
357.26230	3.1
357.30554	3.7
357.35574	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87582	1.5
53.03936	3.1
55.01874	3.6
55.05265	3.5
55.05518	42.1
57.03434	7.5
57.06824	2.5
57.07083	25.9
57.47373	1.5
57.52261	1.5
65.20301	1.5
67.05169	2.6
67.05513	39.9
68.05824	1.4
69.07076	68.1
69.94144	8.2
70.06591	7.2
71.04984	2.7
71.08633	14.6
79.05061	2.2
79.05498	29.9
81.07069	53.3
83.05001	3.1
83.08628	39.4
85.06551	3.1
85.10210	7.9
88.07641	12.9
88.93998	1.6
89.07967	3.0
91.05485	4.6
93.07054	38.5
95.04987	2.4
95.08617	51.6
97.06548	15.8
97.10180	25.6
98.20820	2.7
102.09193	2.5
103.03937	2.4
105.07039	3.1
106.08673	5.0
107.08603	28.4
109.10171	26.7
111.08109	7.7
111.11741	9.9
119.08591	3.4
121.10158	49.2
123.11718	8.2
125.09666	3.9
125.13317	2.2
127.03943	4.5
133.10143	1.8
135.11716	37.0
137.13237	4.7
139.11180	3.3
143.14365	2.2
149.13257	16.2
149.60966	1.6
151.14845	5.5
153.12660	1.8
163.14844	9.0
165.16451	5.5
177.16411	3.0
191.17967	3.8
247.24248	41.8
265.22659	2.9
265.25317	39.0
283.26376	3.7
339.28995	25.9
339.34653	6.3
357.20535	4.0
357.35580	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64094	1.0
55.05269	2.0
55.05514	32.3
56.05850	2.4
57.03425	4.8
57.07080	17.5
61.04802	1.1
62.53659	1.1
67.05172	2.2
67.05510	29.9
69.07072	40.7
70.06605	10.1
71.04993	2.2
71.06924	3.0
71.08631	9.7
71.57175	1.5
79.05492	16.7
81.07064	35.8
83.04971	1.4
83.08620	27.4
84.08936	1.3
85.02924	1.6
85.06552	1.7
85.10176	5.5
88.07639	16.7
89.07941	2.7
90.70196	1.2
90.81860	1.3
91.05485	2.5
93.07051	18.5
95.04948	1.8
95.08614	32.6
97.06529	11.0
97.10180	17.1
99.08071	1.6
102.09180	3.3
103.03979	1.3
104.04282	1.2
105.07043	2.0
105.80066	1.2
106.08665	5.9
107.08597	18.9
109.10169	16.8
111.08095	4.8
111.11739	5.8
119.08639	1.3
121.09314	2.6
121.10146	33.2
123.11745	6.6
125.09664	2.4
125.13294	1.4
135.11710	25.7
135.37828	1.2
137.13237	2.2
139.11191	2.1
149.13292	12.1
151.14880	3.4
153.12737	2.3
154.62955	1.4
163.14819	6.2
165.16380	4.6
167.14349	1.9
177.16431	1.5
181.15755	1.6
191.17978	3.0
209.19043	1.7
247.24208	26.9
258.60275	1.4
265.25269	24.7
281.31073	1.3
283.26376	1.8
333.98785	1.2
339.28912	19.8
339.34531	5.0
357.35587	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.3
Annotation	1-Oleoyl-sn-glycerol
Peak:m/z	Relative Intensity
53.03936	2.5
55.01883	4.0
55.05516	73.5
57.03444	26.4
57.07082	47.9
67.05513	28.3
69.07076	94.7
70.06580	6.4
70.12445	1.4
70.36089	4.5
70.36444	2.5
71.05009	4.1
71.08640	26.7
73.06593	1.7
75.04484	3.6
79.05494	15.7
81.07063	37.4
83.04984	3.9
83.08628	59.9
85.06548	3.0
85.10197	17.1
88.07639	9.9
89.07960	3.4
91.05461	1.6
93.07059	17.5
95.08040	2.8
95.08617	35.6
97.06548	13.2
97.10182	39.4
99.08091	1.5
100.06894	1.4
101.06022	4.5
102.09196	2.8
105.07034	2.1
106.08696	4.7
107.08583	12.9
109.10164	17.3
111.08113	12.6
111.11736	12.1
115.07589	4.7
119.08585	2.0
121.10157	20.5
123.11723	6.6
125.09636	8.2
125.13278	3.4
129.09160	3.8
132.02824	1.2
135.11710	18.8
137.13274	2.0
139.10274	1.6
139.11174	10.2
143.10666	3.2
143.11850	1.3
149.13268	13.4
151.14874	2.3
153.12762	8.7
157.12276	2.6
163.14806	8.5
165.16367	1.6
167.14362	5.7
177.16418	5.2
181.15887	3.6
191.17972	3.6
209.18988	2.7
247.24197	10.1
265.25290	16.8
283.26151	1.5
339.23071	1.5
339.28928	15.6
339.34579	3.9
356.02750	1.4
357.24469	5.3
357.30023	100.0
357.35568	74.4
358.30304	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	357.1332
Annotation	Coniferyl ferulate
Peak:m/z	Relative Intensity
50.53833	0.9
53.03942	1.9
55.01870	2.7
55.05522	2.2
56.68615	0.8
57.07060	1.2
58.22568	0.9
58.75419	0.8
65.03954	1.3
67.05502	1.7
68.66325	0.8
68.98557	0.8
69.03419	1.6
69.07073	1.6
71.56830	1.0
74.00648	0.9
79.05497	5.9
81.03410	1.7
81.07066	4.7
81.32043	0.8
91.05473	11.7
93.07043	3.4
94.04190	2.8
95.04971	1.4
95.08611	3.3
96.08955	0.9
97.02927	1.0
100.11266	2.0
103.05481	16.0
104.05792	0.8
105.03355	1.1
105.07040	10.9
107.04936	2.4
107.08594	2.6
109.02892	1.5
109.06509	7.5
114.69653	1.0
115.05437	6.5
117.07018	3.9
118.04166	1.6
119.04942	6.1
119.08616	2.1
121.06525	1.5
121.10142	2.1
122.03650	7.6
123.04434	0.9
123.08047	3.4
127.03909	2.0
128.06279	1.2
129.07040	4.8
131.04933	21.7
133.06500	6.3
133.10118	2.0
135.04387	1.6
135.08064	3.1
136.05325	1.2
137.05986	100.0
138.06281	1.8
145.06493	2.8
145.10130	1.2
146.03587	1.0
147.04459	4.2
147.08043	0.9
149.06029	1.5
151.03931	8.3
151.07570	5.0
155.04944	2.7
157.06537	1.8
159.04530	1.1
159.08066	1.8
159.11690	1.5
161.06035	5.7
163.07556	27.2
165.05478	9.9
171.96725	0.9
172.05231	1.4
175.07668	1.8
177.05489	1.0
177.09077	1.1
179.03403	1.0
179.07028	5.1
183.04440	2.2
185.13281	0.9
187.07544	2.9
189.05447	6.3
189.09142	2.7
191.07050	3.6
192.04233	1.2
200.00624	1.0
200.04689	3.0
207.06543	72.4
208.06636	1.8
215.07016	11.8
219.08011	1.1
221.08044	2.1
233.08066	10.1
237.09302	1.0
265.08539	1.2
293.17612	1.2
297.11346	1.9
307.09698	1.1
311.12747	1.7
313.14053	2.1
315.12161	0.9
321.11221	2.1
339.12247	11.5
340.12787	1.3
357.13318	5.0
357.20563	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.1
55.05504	6.9
57.03434	2.0
62.09218	1.2
65.08215	1.0
67.01855	1.6
67.05509	5.3
68.99780	7.3
69.07069	21.9
70.96736	2.5
70.97079	1.4
78.28649	1.3
79.05495	5.0
79.54748	1.3
81.03437	2.7
81.07051	7.7
83.04983	2.5
83.08634	5.8
83.65583	1.2
85.02879	1.5
85.06522	1.9
91.05463	2.2
93.07021	9.2
95.04993	1.6
95.08606	5.4
97.06538	6.1
97.10184	2.0
105.07056	2.5
107.05000	1.1
107.08598	5.4
109.06529	1.6
109.10130	2.9
111.00802	24.3
111.04441	5.4
111.08095	5.2
117.07018	1.7
119.08581	1.8
121.06470	1.9
121.10146	3.3
123.08087	1.3
123.11674	1.2
125.05973	2.1
127.03953	7.3
131.08536	1.5
133.10138	2.4
135.11673	7.4
137.09651	1.2
139.03894	15.6
139.07552	2.5
145.10139	1.5
147.11699	1.7
149.13260	7.5
153.09117	1.8
153.12727	1.9
159.11722	1.9
167.07108	1.7
177.12709	3.8
181.08601	2.1
186.10115	1.3
195.13809	8.2
213.14864	5.0
223.13293	2.5
237.14854	35.5
265.14352	100.0
266.14688	2.5
339.17953	16.6
357.20651	3.1
357.24573	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.2
55.01872	7.7
57.03436	3.9
61.02921	5.0
68.99783	4.2
69.03437	36.4
71.04999	3.6
71.55317	2.8
71.55713	2.5
72.78934	2.2
72.83450	2.3
73.02920	6.0
73.06570	16.8
81.03434	22.1
85.02913	100.0
85.03432	5.7
87.00832	41.6
91.05795	9.2
92.05759	2.7
97.02905	32.6
99.04447	11.0
105.01881	81.3
109.02885	31.3
119.04961	3.7
120.00976	2.3
120.05232	2.6
127.03932	65.0
137.06003	2.7
145.05002	27.6
146.45313	2.6
159.02934	9.4
193.04922	11.3
194.05316	17.3
194.08104	3.3
213.04007	6.1
231.05005	20.9
249.06114	7.7
356.07230	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	356.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.6
55.01870	6.0
55.78497	1.6
56.72864	1.5
57.03435	4.6
61.02924	6.4
68.99795	1.9
69.03071	3.0
69.03433	38.8
69.94061	1.6
69.94386	8.8
70.06600	2.8
71.04992	5.9
73.02921	5.7
73.04757	2.9
73.06557	17.4
81.03420	18.0
85.02915	100.0
87.00838	49.2
91.05836	3.5
97.02905	34.2
99.04459	11.8
105.01877	78.2
109.02884	32.0
117.01840	1.8
127.03925	67.0
129.01877	3.1
137.05966	3.6
144.27603	1.9
145.04967	26.3
147.02924	2.3
147.04387	1.8
158.97429	1.9
159.02925	9.4
189.03949	2.4
193.04988	6.4
194.05278	11.3
195.02951	5.5
222.06789	1.7
231.05084	18.1
237.45087	1.8
249.06075	5.2
286.01212	1.9
310.07874	1.9
356.07153	2.9
357.15219	3.5
374.05551	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92609	1.7
56.96293	3.0
56.96569	54.6
69.42165	1.4
70.09861	1.4
70.96789	1.4
71.16439	2.3
71.95260	2.6
74.93153	6.1
80.32748	1.5
81.03452	2.3
83.48994	1.4
84.96037	38.6
85.40822	1.3
98.97592	83.2
100.63946	1.6
101.00884	14.8
102.00932	2.5
102.96989	5.4
103.00640	3.7
110.97570	8.4
112.99126	4.2
116.98634	39.7
117.90144	1.6
119.01925	51.4
120.01989	8.3
120.36694	1.5
121.01689	11.6
124.02403	2.2
124.99114	14.6
128.98625	9.5
131.00186	8.7
131.01884	2.2
134.99652	17.6
136.99129	2.4
137.02972	9.8
139.02702	2.4
140.98579	8.8
142.03516	27.8
143.00183	36.7
143.03683	2.7
144.03258	4.9
144.98103	16.7
146.99680	2.9
149.01224	19.5
155.00168	7.1
156.97583	2.5
157.01714	2.6
158.99767	10.7
160.04576	7.2
161.01230	23.0
161.86270	1.5
162.04184	1.9
162.99158	14.8
164.98730	1.8
167.02325	4.2
170.99086	1.9
172.94252	3.4
173.01195	5.9
174.98723	1.5
177.00961	52.6
178.01068	3.7
179.00793	2.0
180.94760	3.2
182.99719	11.0
183.03320	1.6
185.01234	1.8
186.99309	2.8
187.02831	2.4
190.95345	3.0
191.02309	5.3
198.95825	6.6
198.98549	2.0
200.02644	2.4
201.00780	24.6
203.02367	7.5
205.00381	1.7
205.03722	2.3
210.95535	1.6
212.94270	7.3
213.00058	3.4
214.93874	20.7
215.02464	2.2
215.94061	1.5
216.93668	6.3
217.04071	13.5
219.02003	34.3
220.02203	2.9
221.01875	2.7
222.95729	2.3
224.97395	3.6
227.02475	3.8
228.96855	3.2
229.00415	10.8
230.95276	3.5
231.95395	1.8
232.94926	14.5
232.96620	1.6
233.95091	1.7
234.94745	7.0
234.99973	3.0
235.95747	5.4
236.98630	17.4
237.95506	19.5
237.98734	32.4
238.95903	2.1
238.98338	23.5
239.95284	11.0
239.98471	16.6
240.96921	6.8
242.98500	3.4
243.02101	6.9
245.03670	18.2
246.95810	3.6
246.98036	2.2
247.01509	6.6
252.96523	4.4
253.96762	3.7
254.96222	8.0
254.98610	1.8
255.96529	11.3
256.96652	8.2
257.96600	4.5
258.99933	2.8
261.00351	2.7
261.03067	12.3
263.00369	1.8
263.02975	2.5
264.96832	16.6
265.02588	2.3
269.00040	4.3
269.03589	4.4
270.97772	2.1
271.01483	7.2
272.94687	3.3
272.99405	4.9
274.94238	2.1
274.97665	6.8
276.96478	3.8
277.00912	3.6
279.00531	2.4
282.97971	60.4
287.01074	3.7
289.02475	6.2
291.00613	7.9
294.97607	10.5
296.99826	9.9
298.97534	5.6
300.98914	36.7
301.01685	3.8
305.99695	1.8
309.94846	2.4
312.92969	1.8
315.00522	20.8
316.98792	5.8
328.86990	5.7
333.01517	20.4
333.90805	11.1
333.95044	2.9
334.01611	1.8
334.90326	4.3
346.88037	4.8
351.88458	2.7
351.91791	16.4
351.96146	4.3
352.91537	5.1
357.01596	75.6
369.89499	3.3
374.89383	2.4
374.93484	12.0
375.02698	100.0
375.93066	1.8
376.03162	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.0
55.01881	2.1
55.05513	27.8
56.05835	2.4
57.03441	10.6
57.07068	9.5
60.52657	2.2
61.02929	5.2
65.03943	3.2
66.59131	2.4
67.05510	81.8
68.05846	13.4
69.06161	2.1
69.07079	38.6
69.34892	19.9
70.06622	2.3
70.07398	2.8
71.08625	4.6
72.14754	2.1
73.02917	3.3
73.04740	3.7
79.05500	32.0
80.05824	5.3
81.03403	3.8
81.07062	100.0
82.07391	17.3
83.04984	3.5
83.07742	2.7
83.08619	20.3
85.02916	12.0
85.06542	2.5
85.10172	2.4
88.07616	3.7
91.03939	4.1
91.05409	17.6
93.07044	33.9
94.07382	9.6
95.07702	3.0
95.08614	77.3
96.08943	13.5
97.02889	3.2
97.06519	8.1
97.10171	15.0
105.07043	12.7
106.07362	3.1
107.08602	21.9
108.08947	5.8
109.10161	40.4
110.10520	7.5
111.08089	4.7
111.11726	4.5
113.09583	3.7
117.07047	3.6
119.08591	14.4
120.08933	2.4
121.10138	25.5
122.10467	6.0
123.10882	3.6
123.11697	18.1
124.12034	6.3
131.08582	5.3
132.08891	3.3
133.10146	12.0
135.11722	16.0
136.11993	4.3
137.09604	2.5
137.13266	8.1
139.11281	2.6
141.89240	2.3
145.10129	5.0
147.11687	12.7
149.13278	13.5
150.13641	5.6
151.14912	3.3
159.11728	2.8
160.12061	3.0
161.13329	11.0
163.14848	10.8
165.16412	3.9
174.13718	2.6
175.14832	7.9
177.16479	2.6
181.15863	3.0
188.15254	2.3
189.16492	3.6
239.20081	23.3
243.21188	2.5
245.22670	28.1
260.70654	2.5
261.22144	12.9
262.22473	9.7
263.23401	36.8
285.00851	4.6
337.27295	18.3
355.07248	3.8
355.28156	11.1
355.34033	10.3
356.07898	2.6
379.86505	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.284
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03957	4.2
55.05516	40.7
57.03428	11.6
57.07077	16.7
67.05166	6.5
67.05506	90.3
67.14177	3.6
69.07074	47.0
71.08639	11.0
75.12509	4.2
79.05499	28.5
81.03399	3.9
81.07059	100.0
83.04982	5.3
83.08622	40.2
91.05444	26.9
93.07037	31.9
95.04967	4.9
95.08612	94.0
97.06532	12.0
97.10159	22.2
98.20600	6.0
99.08124	8.0
105.07049	12.5
107.08612	22.5
109.10162	53.3
111.08060	5.7
111.11771	8.5
113.09710	4.2
119.08575	21.5
121.10159	36.2
123.11697	24.9
129.05499	9.6
133.10129	26.9
135.11707	21.9
137.13263	12.8
140.85126	4.2
147.11707	16.1
149.13246	21.8
151.14888	8.2
161.13261	17.0
163.14832	18.8
165.16386	11.4
175.14886	14.4
179.17915	4.4
189.16269	7.2
193.16006	4.0
203.75554	3.8
245.22670	64.1
263.23721	71.0
337.27423	43.4
355.24142	6.4
355.28204	46.2
356.35583	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	355.2845
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03951	3.1
55.05519	31.8
57.03439	11.9
57.07077	16.9
65.03934	2.7
67.05511	80.0
69.06721	3.1
69.07072	49.7
69.87918	10.0
70.06593	4.1
71.08629	6.2
79.05499	25.3
81.03450	2.6
81.07061	100.0
83.04978	2.8
83.08628	31.4
85.06562	2.4
85.10176	2.9
88.07645	3.7
91.05466	20.7
93.07047	30.3
95.08614	89.5
97.06518	8.9
97.10178	21.9
99.08092	4.5
105.07035	18.3
107.08607	20.3
109.10166	46.2
111.08084	4.7
111.11733	5.8
113.09648	1.8
119.08575	16.7
120.64680	1.8
121.10146	30.9
122.55896	2.2
123.08077	2.2
123.11707	21.4
125.43288	1.9
129.05457	3.6
133.10130	21.2
135.11693	15.4
137.09595	2.2
137.13268	10.8
139.69353	1.7
141.12747	4.2
147.11671	12.3
149.12236	3.0
149.13239	13.8
151.11169	2.6
151.14810	5.2
161.13255	13.6
163.14835	12.5
165.16402	8.7
167.14326	2.8
175.14871	11.2
179.17978	4.8
181.15939	2.8
185.11240	2.0
189.16420	7.0
245.20303	3.8
245.22673	43.2
263.23712	50.7
328.68713	1.8
330.13086	1.8
331.73621	1.8
337.27414	33.4
338.27710	2.3
355.28519	8.3
355.33884	2.8
356.35303	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	355.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.8
53.82253	2.2
55.01880	2.8
55.05511	36.0
57.03445	5.6
57.07079	19.4
67.05507	87.2
69.07068	45.1
70.06599	3.8
70.26800	5.5
70.27191	4.6
71.04996	4.3
71.08630	6.8
72.08154	3.4
79.05494	23.5
81.03418	3.0
81.07063	100.0
83.04970	2.3
83.08624	28.6
85.06547	4.7
85.10175	3.9
88.07633	7.2
91.05438	22.8
93.07053	42.0
95.04971	2.3
95.08614	89.6
97.06532	12.3
97.10180	20.7
99.08068	4.3
105.07048	20.4
107.08617	25.5
109.09464	3.3
109.10172	49.7
111.08077	6.6
111.11734	7.4
113.09691	6.2
119.08573	18.3
121.10159	29.3
121.41847	2.2
123.11715	29.1
125.13313	3.5
133.10150	18.9
135.11736	19.6
137.13251	9.9
142.41772	2.3
147.11745	12.7
149.13261	15.4
151.11163	2.9
151.14827	3.7
156.13187	2.0
161.13266	15.4
163.14874	11.9
165.12735	3.3
165.16409	8.6
167.14447	2.5
172.47945	2.2
175.14888	9.5
177.16451	3.8
179.17981	3.3
189.16408	7.6
193.15892	2.4
203.17908	2.4
207.17505	3.4
217.19485	3.3
245.22670	52.7
263.23734	58.6
280.98004	2.3
304.54132	2.4
337.27377	28.9
338.34137	3.5
355.07138	2.6
355.28400	6.5
355.33600	3.1
356.35281	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	355.2843
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03944	2.1
54.04552	1.2
55.05512	32.7
57.03438	10.7
57.07074	13.2
65.03941	2.1
67.05507	77.8
69.07069	45.5
70.06602	3.1
71.04984	2.2
71.08622	5.5
75.04517	1.4
79.05489	29.5
81.07059	100.0
83.04992	3.5
83.08622	27.8
85.06545	3.4
85.10193	2.7
88.07635	2.3
91.05444	16.8
93.07049	31.7
95.04968	2.2
95.08610	88.4
96.08917	1.7
97.06540	9.6
97.10174	20.1
98.21494	3.7
99.08074	2.7
103.03918	1.8
105.07034	15.7
107.08596	20.0
109.06484	1.5
109.10155	43.2
111.08098	4.9
111.11727	5.6
113.09626	2.5
119.08578	13.8
121.10143	31.5
123.08064	1.5
123.11710	21.3
125.09629	2.1
125.13275	2.9
127.11169	2.1
129.05420	3.7
133.10120	16.6
135.11711	16.4
137.13251	9.8
139.14909	1.5
141.12761	2.1
147.11714	12.1
149.13252	15.0
151.11246	1.7
151.14824	6.3
155.14305	1.7
161.13242	15.0
163.14828	14.5
165.16406	6.9
175.13527	1.6
175.14825	10.7
177.16382	3.4
177.67847	1.3
179.18024	3.8
189.16389	5.7
207.17418	2.5
245.22636	45.0
247.24265	2.0
263.23724	47.2
265.25293	2.2
313.31204	1.3
337.27390	28.4
355.28491	8.4
355.34021	19.6
363.20786	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1025
Annotation	ST077074
Peak:m/z	Relative Intensity
59.77042	0.2
67.01868	0.7
67.05495	0.3
68.35193	0.2
68.99814	0.4
69.03445	0.5
69.07035	0.2
70.06593	0.4
71.56138	0.3
73.04752	0.6
79.05476	0.7
79.77241	0.2
81.03398	0.2
81.07053	0.8
83.48755	0.2
85.02908	0.9
91.05787	1.0
93.07020	0.7
95.04974	0.6
95.08591	0.3
97.02909	0.3
97.06559	0.4
105.07038	0.6
107.08585	0.6
109.02846	0.5
109.06548	0.6
115.05476	0.2
119.04921	0.6
119.08589	0.8
121.06496	0.5
121.10187	0.4
123.04436	0.5
125.06000	0.7
125.55527	0.2
127.03915	0.6
131.05019	0.2
131.08565	0.3
133.06462	0.2
133.10104	1.1
137.06007	1.5
137.09625	0.3
145.06467	0.3
145.10138	0.3
147.04434	2.0
147.11743	0.4
149.05994	0.3
151.03909	0.6
151.07567	0.2
151.11192	1.4
153.01817	0.7
161.06009	0.3
163.03893	0.3
169.04929	0.6
173.05902	0.3
175.03940	0.4
175.11171	0.5
177.01770	0.2
179.05432	0.2
181.04982	0.3
191.03445	0.4
193.04976	100.0
194.05310	1.4
194.06868	0.3
201.05472	1.5
219.02867	0.6
234.42685	0.2
245.05901	0.3
263.07114	0.4
305.08380	0.3
346.40436	0.2
355.04230	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54493	1.5
56.96570	28.5
58.99878	1.6
66.29198	1.6
69.03423	7.2
70.61664	4.9
73.04754	6.1
73.65714	1.4
74.97587	1.8
77.00917	2.3
77.23529	1.5
79.05487	2.1
81.03411	3.9
82.99860	2.6
84.96047	4.0
85.02914	8.3
89.03923	10.8
91.05873	17.7
95.04979	1.9
97.02903	9.5
98.97598	24.8
101.00887	22.3
102.00993	1.7
105.00359	2.0
107.04955	2.8
109.02914	2.9
110.97574	3.7
113.00883	6.3
115.02383	3.3
116.98619	15.5
117.03421	9.5
119.01938	67.6
119.04932	11.4
120.02015	1.8
124.99184	1.5
126.72165	1.4
127.02409	1.8
127.03954	3.5
128.98624	6.2
131.00250	2.6
131.01900	22.2
132.96640	3.3
133.03502	3.4
134.06029	3.3
134.99678	8.2
135.04442	21.2
136.07587	2.4
137.02959	13.5
142.03494	2.1
143.00229	2.1
143.01904	19.8
145.02792	7.3
145.03545	8.4
146.99686	3.4
147.03421	1.6
147.04419	37.3
149.01207	3.3
149.02945	3.2
150.99081	2.7
151.03902	3.1
155.01933	13.7
157.03514	9.2
158.06662	5.2
159.01324	1.6
159.06783	3.1
161.01521	3.3
161.02968	58.7
162.03166	2.2
163.03911	100.0
163.08759	2.2
164.04311	6.3
164.07079	68.0
167.01912	3.8
169.03506	4.0
170.99672	1.8
171.05098	1.8
173.01555	2.6
173.02963	20.6
174.97659	12.1
175.04695	7.7
176.07684	3.9
177.00787	2.3
177.07828	2.0
178.97141	1.8
179.02090	2.3
179.03960	2.4
181.09789	4.2
182.08096	2.1
185.02953	21.0
187.04538	6.0
191.04037	3.1
192.98700	13.2
193.01784	2.6
196.28938	1.5
196.91760	3.4
197.01219	3.4
197.02943	24.5
200.99226	1.9
203.04099	13.4
205.03641	4.1
211.00980	3.0
211.02829	4.0
211.04633	2.0
215.04033	6.6
216.98714	5.8
218.99870	2.9
219.01878	8.2
221.01093	2.0
221.03101	2.6
221.05086	6.0
221.67354	1.8
223.02763	2.4
223.04617	3.1
227.04077	5.9
229.00298	3.3
229.03796	1.9
232.98428	2.0
234.99791	6.7
235.04562	16.4
236.00244	1.9
237.00722	23.7
237.02876	9.2
240.98668	1.8
241.02478	4.5
244.98299	2.3
245.05144	30.1
247.02916	1.9
248.97719	2.2
251.02159	2.4
253.05760	10.5
255.01718	18.2
258.99805	3.5
259.03342	3.2
259.06778	3.6
263.06128	7.9
265.05585	3.1
268.97897	3.9
271.06992	4.5
271.56003	1.7
273.02792	13.2
277.00436	2.8
283.01367	4.7
283.07001	2.7
285.01050	7.1
295.01178	4.4
295.06870	2.9
301.07956	8.8
312.07828	3.9
313.02328	3.5
313.07935	47.5
313.20468	3.2
314.07758	5.1
329.00317	2.2
331.01828	7.4
336.09543	2.3
337.14001	5.0
355.08914	63.8
355.15311	6.1
372.99597	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	355.1026
Annotation	ST077074
Peak:m/z	Relative Intensity
53.03931	1.2
55.01875	0.6
56.80301	0.4
57.03421	0.6
61.09989	0.4
61.95375	0.4
65.03917	0.5
67.05511	0.5
69.03085	0.8
69.03435	13.9
69.68641	2.0
69.69057	0.8
71.04973	0.8
73.02888	0.5
76.21323	0.4
79.05463	0.5
81.03421	3.7
81.07056	1.3
85.02911	3.5
91.05472	11.1
93.06963	0.4
95.04932	0.9
97.02901	28.0
98.03210	0.5
99.04473	2.8
103.05451	1.5
109.02847	2.3
109.06501	0.7
118.04147	1.2
119.04101	0.7
119.04952	12.3
120.78815	0.5
126.91017	0.5
127.03932	3.7
133.02875	0.6
137.05991	1.4
140.34361	0.5
145.04926	0.8
145.50034	0.4
147.04420	6.5
151.76369	0.4
165.05408	0.6
193.04967	100.0
194.05319	1.3
205.04987	2.2
206.05708	1.2
211.06038	1.9
219.06422	0.4
229.07120	1.1
235.06021	2.4
245.08128	0.8
259.06030	1.0
268.97974	0.4
285.00916	0.8
289.07010	0.9
319.07977	0.7
337.09119	0.6
355.06882	0.5
355.10300	3.9
363.92752	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.8
55.01857	6.1
55.05498	1.8
57.03421	4.6
61.02904	5.7
69.03432	32.3
69.07062	2.3
71.04980	4.6
71.56921	2.9
73.02896	5.6
81.03420	25.6
81.07120	1.8
85.02907	100.0
87.00829	42.7
93.07062	2.0
95.08622	2.8
96.08970	1.8
97.02897	29.6
99.04460	14.9
101.02386	2.5
105.01866	63.3
105.06971	2.2
105.97844	1.8
107.08604	2.3
108.96356	1.9
109.02879	25.9
117.01823	3.1
127.03919	74.6
136.12021	1.8
145.04965	34.2
147.02896	3.5
147.04329	1.8
157.12202	3.2
157.17923	1.9
159.02881	12.1
169.18709	1.7
178.04991	7.2
189.04056	4.0
213.03923	2.2
223.84373	2.1
231.04959	17.4
249.05919	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	354.3366
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
55.05271	0.7
55.05511	9.5
56.05014	2.3
57.05816	1.7
57.06832	1.0
57.07078	12.8
58.02952	2.1
58.06602	17.7
60.04517	3.4
60.45889	0.7
62.63763	0.7
67.05501	9.0
69.06723	1.4
69.07071	18.7
69.53619	3.2
69.54034	1.9
70.02969	3.6
70.06592	6.1
71.04984	1.1
71.08626	8.1
72.04503	2.1
72.08140	0.8
74.06062	2.3
79.05475	2.0
81.07061	14.9
82.06586	1.8
82.07089	0.6
83.04987	1.9
83.08226	0.7
83.08628	10.7
84.08150	5.6
85.10172	3.1
86.06078	4.4
87.06843	1.3
91.05824	1.3
93.07030	2.7
95.08049	1.2
95.08612	15.4
97.06544	1.3
97.10170	7.7
98.06043	0.9
98.21530	1.3
107.08588	1.6
109.06505	1.4
109.10163	7.7
111.11725	3.8
112.11244	1.0
119.08604	0.8
121.10137	1.5
123.08090	1.3
123.11721	3.6
135.11714	1.7
137.13272	1.2
157.66231	0.7
161.13239	0.8
185.25241	0.8
205.54858	0.9
240.19379	0.8
268.29938	1.2
268.97940	0.9
285.00894	1.0
294.31552	3.9
306.31635	3.8
307.30020	2.3
308.33173	3.9
319.29922	1.2
324.32755	1.4
326.34158	5.5
336.32605	13.1
337.30954	1.9
354.33655	100.0
355.06955	1.4
355.33850	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	354.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78176	0.9
53.03949	1.3
55.00762	1.1
55.01880	3.3
55.05518	1.2
55.93526	2.0
57.03433	4.9
59.00222	1.1
59.00513	1.0
67.05508	2.6
69.03423	3.0
69.07076	1.3
70.46745	1.1
71.04997	7.2
71.55947	1.3
71.81149	1.3
73.02930	5.8
73.04749	1.2
81.03457	1.4
81.07065	1.4
84.08148	3.8
85.02903	4.0
85.06544	6.4
85.08482	1.7
85.89774	1.1
91.05812	4.1
93.07056	2.5
95.04977	5.5
97.02901	2.8
97.51393	1.2
98.21310	1.4
101.02391	16.4
111.08079	2.1
113.06016	100.0
115.07603	1.4
119.04971	2.3
121.02842	1.4
123.04419	1.7
126.42844	1.3
129.09122	1.9
130.28990	1.3
131.07053	34.4
132.95860	1.1
137.05986	1.4
139.07532	5.3
147.04424	4.2
157.08614	10.9
165.97130	1.2
175.09666	4.7
178.04994	2.7
192.06503	1.8
193.04984	17.4
222.04018	3.9
268.97891	1.7
285.00934	1.3
336.13004	1.4
355.07135	1.3
355.13794	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2688
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.05499	12.7
57.03437	8.4
57.07060	4.2
65.03931	4.7
67.05509	99.3
69.07070	15.3
70.97207	7.6
71.08644	4.0
79.05505	42.9
80.28036	3.4
81.07064	100.0
83.04957	4.7
83.08620	10.0
91.05500	18.3
93.07058	52.2
95.08612	77.8
97.10166	4.1
105.06383	3.3
105.07052	13.8
107.08598	33.4
107.61182	3.2
109.10167	41.4
117.07050	7.7
119.08610	12.9
121.10149	31.2
123.11712	25.1
131.08560	19.4
133.10159	16.0
135.11708	23.1
137.13237	6.9
145.10190	16.9
147.11690	11.3
149.13260	20.2
159.11732	13.0
161.13252	10.2
163.14836	10.1
173.13272	13.7
175.14832	4.7
177.16374	5.4
187.14799	11.5
213.95366	3.2
233.22539	4.1
243.21088	24.7
261.22171	99.7
262.22662	4.4
279.23126	7.1
335.25812	10.2
353.26810	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	354.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04249	1.3
52.87253	1.4
53.03946	6.6
53.44917	1.3
55.01875	6.0
57.03436	6.0
61.02929	5.7
68.99770	2.5
69.03432	32.9
70.16843	4.4
71.04991	5.3
73.02924	6.2
81.03426	23.3
85.02914	100.0
87.00839	46.4
87.04442	1.7
97.02909	27.7
99.04463	12.8
105.01875	78.5
109.02894	23.8
117.01818	1.6
127.03927	70.4
129.01917	2.3
145.04970	36.0
147.02904	3.0
159.02907	12.6
171.02933	1.8
189.03949	4.3
197.11807	1.7
210.65643	1.3
213.03958	2.1
223.28458	1.4
231.05009	17.2
248.07550	1.7
249.06027	4.1
294.09680	1.5
326.07376	1.6
354.06601	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03835	1.4
55.01860	1.8
55.93538	2.5
57.03444	4.0
69.03447	3.2
69.73180	9.0
71.04984	4.7
73.02925	3.0
73.04769	2.3
73.18953	1.4
81.03405	2.0
85.02917	5.6
85.06544	7.0
91.05440	3.9
91.05873	2.3
93.07026	1.6
95.04988	5.3
97.02895	3.2
98.20841	2.9
101.02402	12.8
109.06549	1.7
111.08128	3.0
113.06020	100.0
114.06273	1.4
119.04950	5.1
122.59293	1.4
123.04424	1.7
127.03946	3.1
131.07057	38.8
139.07567	6.3
147.04468	6.6
147.17886	1.5
157.08655	5.4
175.09679	6.2
178.04904	1.8
193.04971	43.7
193.98994	1.7
222.03998	3.3
285.00946	3.8
292.06845	2.6
354.01871	2.0
354.11661	2.9
355.06927	2.4
355.13617	3.1
370.22366	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03941	2.4
55.05514	13.8
57.03431	6.0
57.07070	6.8
64.85621	1.3
65.03965	2.5
67.05507	96.1
68.88515	1.3
69.07072	15.7
69.46455	7.1
69.46877	3.4
71.04993	4.1
71.08612	2.1
73.36366	1.3
75.04484	2.1
79.05499	36.9
81.07060	100.0
82.58463	1.4
83.04980	1.9
83.08617	9.4
91.05478	21.1
93.07051	60.0
95.04971	3.8
95.08614	72.9
96.08942	1.6
97.06546	3.3
97.10155	3.7
97.49358	1.3
99.08096	1.5
105.04565	1.3
105.07038	16.8
107.08595	36.1
109.06515	2.2
109.09451	2.9
109.10157	39.0
109.96631	1.4
111.08109	1.4
117.07019	9.6
119.08595	14.8
120.77664	1.4
121.10163	26.6
123.08089	1.9
123.11716	23.7
125.09679	1.9
131.08585	19.4
133.10130	12.5
134.00101	1.4
135.08046	2.1
135.11702	22.9
137.09572	2.0
137.13248	9.2
139.11147	1.5
145.10129	13.7
147.11710	10.6
149.13264	22.2
151.14832	2.9
154.15840	1.4
159.11694	13.5
161.13231	9.8
163.14825	13.6
165.12697	1.7
173.13266	17.2
175.14777	2.6
177.12921	1.3
177.16373	4.8
187.14809	10.6
189.16394	1.6
190.23193	1.6
201.16431	2.4
205.15994	2.7
233.19164	2.1
233.22629	5.0
243.21126	22.3
261.22144	96.2
262.22607	3.6
279.23221	4.9
335.25781	10.5
353.26788	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95682	3.3
53.03949	4.9
55.05521	19.3
57.03443	7.2
57.07066	10.8
57.30875	3.8
59.41739	3.6
67.05507	85.6
69.07079	20.1
69.35590	20.8
69.36017	11.9
71.08624	5.4
79.05499	44.9
81.07063	100.0
83.08619	13.0
84.13823	3.6
85.06534	5.9
91.05484	30.3
93.07047	71.0
95.04967	5.5
95.08614	77.6
97.10175	8.4
99.66716	3.7
105.07050	17.3
107.08602	39.3
109.10155	37.1
117.07047	10.0
119.08601	16.0
121.10126	33.3
123.11736	24.0
131.08600	17.2
133.10139	13.7
135.11690	29.2
137.09692	4.4
137.13293	6.2
145.10143	17.9
147.11674	10.9
149.13263	20.3
159.11719	15.0
161.13252	10.2
163.14861	16.7
173.13287	15.2
174.84680	3.6
177.16348	5.6
187.14864	14.7
193.04985	5.0
193.71960	4.4
199.25339	4.0
224.01709	3.6
233.22786	4.5
243.21092	25.0
261.22171	96.3
266.29822	3.4
266.64972	4.9
267.70126	3.9
279.23141	5.2
290.22952	3.9
293.92615	3.7
335.25824	8.6
353.26456	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03949	4.2
55.05512	15.6
57.03429	6.6
57.07086	3.2
59.06936	1.9
64.07877	1.9
65.03941	3.3
67.05512	90.0
69.07076	13.2
69.32770	11.5
69.33201	6.2
71.04993	3.2
79.05502	39.7
81.07064	94.2
83.08627	7.3
85.06541	2.3
91.05490	22.4
93.07052	53.2
95.04961	1.9
95.08613	78.0
97.06513	3.1
97.10201	3.7
99.08121	1.9
105.07030	12.7
107.08610	34.2
107.83042	1.7
108.08930	2.3
109.10177	36.4
113.09694	2.1
117.07031	9.4
119.08611	13.3
121.10162	26.7
123.11710	20.3
131.08580	18.0
133.10147	8.1
135.11697	20.5
137.13274	6.4
145.10118	15.8
147.11685	12.5
149.13243	18.7
151.14873	2.7
159.11734	13.9
161.13303	7.0
163.14848	10.9
173.13300	14.7
175.14880	3.3
177.16388	4.3
184.26575	2.1
187.14841	8.9
195.13708	3.0
201.16498	2.4
215.17993	3.3
219.17444	2.6
243.21100	24.4
261.22168	100.0
262.22531	2.4
279.23196	10.1
322.05121	2.6
335.26007	13.3
353.26865	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.7
55.05518	12.9
57.03433	4.8
57.07069	5.1
59.94906	1.4
65.03924	3.0
67.05510	100.0
69.07075	11.9
69.41192	3.6
69.41597	6.9
70.11140	1.3
70.53687	1.4
71.04992	1.7
71.08595	1.8
79.05061	2.8
79.05501	46.4
81.07063	82.1
83.04980	1.9
83.08628	7.3
84.54496	1.7
85.06517	1.7
91.05482	22.2
93.07049	62.6
95.04945	2.3
95.08613	66.0
97.06542	4.0
97.10144	3.8
99.08082	2.4
105.07041	17.4
107.08597	42.2
107.80177	1.3
109.06539	2.8
109.10159	32.1
112.85165	1.3
117.07034	10.0
119.08591	13.2
121.10157	35.1
123.08064	2.8
123.11724	19.1
125.09606	1.5
131.08571	19.2
133.10132	13.7
135.10692	1.7
135.11696	27.0
135.66522	1.4
137.09613	2.2
137.13242	6.7
145.10124	15.2
147.11723	10.3
149.13264	21.1
159.11713	16.6
161.13242	7.9
163.14827	10.8
165.12755	2.0
173.13268	16.3
175.14841	3.9
177.16422	3.5
187.14825	9.6
201.16299	2.3
215.17924	1.8
233.19135	1.5
233.22565	3.2
243.21101	23.4
261.22168	90.2
261.44125	1.5
262.22598	2.7
263.23666	2.4
279.23245	3.4
308.25867	1.7
317.00073	1.6
335.25748	7.0
335.80319	1.5
353.26904	25.4
359.75150	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.9
55.01851	2.1
55.05510	11.8
57.03430	3.9
57.07066	5.5
65.03935	3.5
67.05509	87.3
68.05831	1.8
69.07067	12.7
71.04989	3.5
71.08628	1.8
75.04453	1.8
79.05497	47.0
81.07062	86.9
83.08620	6.7
85.06583	2.0
91.05484	19.6
93.07048	69.0
95.04976	3.3
95.08611	63.3
97.06533	3.2
97.10168	3.7
105.07039	19.2
107.08597	37.4
109.10164	32.0
111.08031	1.5
111.11769	1.4
117.07027	11.6
119.08591	14.8
121.10152	32.4
123.08084	2.2
123.11724	22.0
131.08557	23.5
133.10143	12.8
135.11708	28.8
137.13252	6.0
138.80418	1.2
139.11124	1.3
145.10123	13.1
147.11674	10.7
149.13263	21.1
151.11208	2.7
151.14792	2.0
153.12817	1.7
159.11711	11.3
161.13232	9.3
163.14809	13.9
165.12706	1.6
167.67212	1.2
173.13293	17.4
175.14807	3.1
177.16388	5.3
183.74680	1.4
187.14789	9.8
191.14294	2.5
201.16403	2.6
205.15971	1.6
233.22653	4.1
243.21112	21.6
261.22153	100.0
262.22461	3.4
279.23199	3.8
281.10590	1.9
335.25906	6.9
337.67636	1.2
353.26852	23.1
353.30966	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	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03951	3.1
54.20872	1.4
55.05513	12.5
57.03429	6.7
57.07064	6.2
59.05007	1.5
65.03927	2.1
67.05508	94.8
69.07063	12.0
71.04992	2.2
75.04462	1.3
78.70580	1.5
79.05054	2.7
79.05492	39.2
81.07059	100.0
83.08620	6.9
85.06558	3.0
88.84923	1.4
91.05485	22.6
93.06475	2.6
93.07051	51.7
95.04977	1.5
95.08611	75.7
97.06506	2.8
97.10145	2.6
99.08098	2.0
105.04532	1.4
105.07042	16.3
107.08598	38.0
108.47685	1.3
109.09470	2.7
109.10167	40.4
110.00778	1.4
111.08046	2.2
111.11665	1.4
117.07032	9.1
119.08572	14.1
120.50495	1.4
121.10142	34.0
123.11719	21.5
129.06993	1.6
131.08582	19.0
133.10138	12.7
135.11700	29.1
137.13251	7.0
141.12607	1.3
145.10126	13.8
147.11700	9.7
149.13272	21.2
151.11107	1.7
155.71649	1.4
159.11734	14.3
161.13257	9.6
163.11240	1.8
163.14868	10.1
173.13260	14.9
175.14793	2.4
177.16402	3.9
187.14803	9.7
193.17378	1.6
201.16444	2.2
233.22614	4.2
243.21100	24.3
261.22137	86.5
262.22421	2.6
279.23172	7.3
285.92627	1.5
335.25757	11.4
353.26871	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	353.2321
Annotation	Prostaglandin H2
Peak:m/z	Relative Intensity
53.03948	3.8
55.01864	2.6
55.05511	12.4
57.03428	2.9
57.07068	7.1
59.05006	2.7
63.74681	1.6
66.03436	1.7
67.05508	27.5
69.03400	3.8
69.07063	9.8
69.75202	3.2
69.75634	6.0
71.04980	6.5
75.14275	1.5
79.05489	10.9
81.07065	29.1
83.04977	6.5
83.08610	4.7
85.06550	16.9
91.05479	11.8
93.07047	42.8
95.04964	9.0
95.08610	100.0
97.06517	6.8
97.10179	2.3
98.20833	2.9
99.04449	7.1
101.06031	11.1
105.07030	18.0
107.08598	40.4
109.06504	6.0
109.10155	22.1
111.04417	2.0
111.08079	20.4
113.06026	12.3
113.09645	15.2
117.07008	2.7
119.08594	6.5
121.02882	3.7
121.06487	11.9
121.10167	11.5
123.08067	24.7
123.11694	10.9
125.05983	2.4
125.09636	6.5
129.05466	4.1
129.09093	7.1
129.18471	1.8
131.08565	5.7
133.10152	17.6
135.08105	2.2
135.11729	20.8
137.09602	4.6
137.13239	4.6
139.07538	6.6
139.11156	5.3
141.09119	28.7
144.09406	2.2
144.80206	1.5
145.10138	6.5
147.11708	5.3
149.05969	8.7
149.09624	3.1
149.13286	12.0
151.07561	15.2
151.11195	18.2
153.12732	21.5
155.10680	3.2
155.14357	1.7
157.08614	12.7
157.10046	3.4
159.10210	2.0
159.11702	9.1
161.13239	4.7
163.11215	6.0
165.09175	3.8
165.12759	6.3
167.14340	2.2
169.08568	7.8
171.11665	3.8
173.13187	2.8
177.12778	4.0
181.12297	2.6
183.10181	2.4
185.08089	2.8
187.09656	14.2
188.10333	1.6
189.12804	1.7
191.14273	2.2
193.12177	2.2
203.14273	2.0
203.28835	1.9
213.16418	3.7
224.97438	1.5
271.20529	6.5
289.21597	11.1
297.07697	2.4
307.22626	13.5
317.21146	8.6
323.22128	4.0
325.07089	10.5
335.22125	26.6
353.06613	13.7
353.15759	2.3
353.23251	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	353.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.7
54.83482	2.2
55.01868	10.8
55.05515	13.7
57.03425	11.3
57.07067	7.6
61.02917	3.1
67.05510	20.2
69.03069	4.1
69.03435	57.9
69.07069	19.8
71.04992	11.8
71.55640	3.0
73.02918	5.1
74.32241	2.3
79.05491	27.9
81.03423	16.4
81.07062	38.3
81.67892	2.8
83.04983	11.7
83.08609	12.7
85.02903	30.7
85.06542	6.2
91.05494	18.1
91.05977	2.9
93.07047	39.0
95.04967	20.9
95.08617	38.7
97.02898	27.4
97.06517	9.0
97.10168	3.0
98.06117	2.2
99.04445	10.4
101.05994	2.9
103.05489	2.8
105.01865	2.7
105.07039	36.1
107.04940	10.1
107.07874	3.0
107.08606	57.3
109.02881	5.6
109.06525	16.0
109.10158	15.0
111.04469	6.7
111.08076	12.5
113.09640	4.9
115.03915	4.1
117.07011	10.9
119.08585	22.7
120.08044	2.7
121.02833	2.3
121.06536	14.8
121.10135	40.9
123.04523	3.4
123.08092	20.1
123.11717	31.5
124.07610	2.6
125.05990	5.6
125.09622	6.7
127.03909	17.0
127.07508	3.1
129.07022	4.6
131.04863	2.9
131.08580	50.2
133.06496	4.5
133.10132	11.9
135.04388	3.1
135.08061	12.6
135.11670	18.4
137.05965	8.2
137.09612	6.7
137.13264	4.8
139.07675	3.0
143.08572	3.5
145.05008	5.9
145.06491	5.5
145.10135	21.4
147.08035	8.6
147.11670	11.4
149.05930	6.6
149.09627	100.0
149.13263	25.5
151.07556	6.1
153.09106	5.6
157.10135	2.9
159.08058	3.0
159.09210	10.7
159.11729	4.4
161.09634	3.9
161.13255	5.0
163.03899	6.6
163.11208	18.7
163.14799	11.3
165.09052	4.2
167.10652	3.0
167.14337	3.3
173.09625	6.3
173.13278	10.1
175.11253	3.3
175.14886	3.9
179.14317	6.2
181.08627	2.9
191.07040	4.2
191.10681	39.6
191.14374	17.0
201.10222	17.8
209.11798	28.5
209.15306	15.8
209.77722	2.6
218.05569	7.3
219.11334	5.0
222.03981	5.4
231.13797	3.3
233.15321	3.4
246.05107	9.3
264.06186	4.2
290.13843	4.4
305.14832	2.9
307.16327	2.6
317.08710	6.2
335.09396	4.1
335.15604	5.1
335.19086	3.6
353.15976	27.3
353.19800	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.196
Annotation	2beta,5alpha-Diacetoxy-9(12)-capnellene-8beta,10alpha-diol
Peak:m/z	Relative Intensity
54.10407	3.0
55.05502	12.9
57.07057	3.0
64.80772	3.0
67.05498	14.4
68.99782	5.8
69.07075	9.0
69.50449	2.8
71.56487	3.0
79.05487	12.9
81.07072	21.5
83.08611	9.5
93.07053	9.5
95.04947	3.6
95.08598	11.3
95.24579	3.0
97.10169	5.7
97.31365	3.9
100.87538	3.2
107.08586	5.3
109.10143	4.5
111.00841	5.7
113.94650	3.2
119.08523	5.1
121.10161	9.7
127.03924	100.0
131.08496	6.2
133.10089	3.0
138.44534	3.4
148.23285	3.0
232.57820	3.3
265.18073	4.7
293.17542	19.9
312.14877	4.1
335.18604	57.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.2
55.01862	8.9
55.05515	14.9
56.92417	2.5
57.03450	13.5
57.07069	7.9
61.02920	3.8
61.73858	2.3
66.32388	2.7
67.05515	23.7
69.03077	4.0
69.03435	51.6
69.07066	15.1
71.04985	10.6
71.56162	4.3
73.02896	2.6
75.79031	2.8
79.05127	2.4
79.05505	28.2
79.68449	2.7
81.03410	16.8
81.07061	40.2
83.04971	11.7
83.08617	11.4
84.08157	3.6
85.02907	31.2
85.06538	4.8
87.00799	2.7
91.05478	23.9
91.79549	2.4
93.07054	36.1
95.04978	20.5
95.08611	33.3
97.02903	27.0
97.06516	10.7
99.04478	12.7
105.07045	33.3
107.04945	10.9
107.08610	67.8
109.02891	5.4
109.06529	20.9
109.10181	15.7
111.04425	6.7
111.08095	13.7
113.09634	3.8
115.03889	3.4
115.05447	3.7
117.07001	12.4
119.04931	3.5
119.08601	20.3
121.06538	19.8
121.10144	49.6
123.04416	2.8
123.08073	13.7
123.11706	37.4
125.05956	4.9
125.09647	6.2
127.03934	11.9
129.06999	5.3
131.04956	3.0
131.08580	49.6
133.10126	9.5
135.04419	3.1
135.08073	13.3
135.11720	18.4
137.05995	6.1
137.09608	5.8
138.05490	3.3
139.07498	3.1
145.05005	5.0
145.06477	5.1
145.10106	21.3
147.08057	7.7
147.11673	7.1
149.06029	3.7
149.09627	100.0
149.13275	24.4
151.07518	3.9
151.11183	4.3
153.09097	8.6
159.09195	11.2
159.11652	3.7
161.09634	3.5
161.13211	5.1
163.03909	8.5
163.07536	7.2
163.11198	19.9
163.14824	11.9
165.09099	3.8
167.07019	3.4
167.14313	8.6
171.10121	3.9
173.09578	7.3
173.13272	7.9
175.11281	2.8
179.14342	6.9
188.63556	2.7
189.09073	3.4
191.10692	31.9
191.12419	3.8
191.14282	16.2
201.10292	15.4
203.14302	5.2
205.06528	2.7
209.11734	28.2
209.15292	11.9
218.05623	8.1
219.11229	3.3
246.04999	9.1
246.07509	2.9
264.06079	4.4
290.13815	4.5
307.16479	4.0
317.08728	3.6
317.17654	5.2
335.09250	3.4
335.12466	4.6
335.15845	6.3
335.18973	4.5
353.06531	2.4
353.16034	32.3
353.19901	18.3
361.50345	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	352.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	31.6
57.07069	40.7
67.05508	43.5
69.07062	36.7
71.57394	19.9
79.05493	31.0
81.07057	52.3
91.05506	18.8
94.79787	16.5
95.08595	47.0
105.07042	33.2
107.08594	21.2
116.47945	17.9
119.08595	26.1
120.26315	19.3
120.93104	16.4
127.00098	17.4
131.08530	26.5
133.10147	33.1
147.11679	23.7
197.85631	17.8
272.06909	20.2
275.20111	75.9
303.26437	17.6
307.22888	18.3
352.23431	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.0
55.01860	4.2
55.05505	2.3
57.03433	3.4
57.29884	1.4
67.05521	3.3
69.03429	19.7
69.07056	2.0
71.04987	3.9
71.07520	3.1
73.02913	2.5
79.05479	10.0
81.03412	6.2
81.07047	5.4
83.04971	1.6
85.02917	11.5
86.09697	1.5
91.05479	11.5
93.07051	14.4
95.04952	4.6
95.08650	1.7
97.02903	9.8
97.06548	1.6
99.04454	2.2
105.07030	18.3
107.04922	6.4
107.07871	1.6
107.08601	31.8
109.02863	3.6
109.06502	1.7
109.10156	5.4
116.06290	1.4
117.07001	4.2
119.08567	6.0
121.06490	10.2
121.10155	8.5
123.04404	1.4
123.08011	2.0
127.03962	7.5
127.04746	1.9
129.06989	2.7
131.08578	30.9
135.08058	2.6
135.11674	2.6
137.06021	1.4
138.05508	8.1
143.08549	1.7
145.04987	2.6
145.06458	2.6
145.10103	14.0
147.04324	1.4
147.08063	4.0
149.05956	2.6
149.09627	100.0
150.09987	1.8
153.05489	3.0
155.08563	2.2
163.11232	10.5
166.05009	3.8
173.09605	4.4
175.08824	1.3
176.03461	1.6
178.04950	1.4
180.87564	1.3
191.10690	28.7
194.04532	7.8
198.91844	1.4
201.10242	2.2
209.11732	18.0
209.34030	1.3
214.12221	2.9
222.03964	13.6
242.11682	5.3
244.13499	1.4
259.14404	3.2
260.12823	5.6
272.12912	1.4
290.13925	11.6
305.14926	6.6
307.16486	4.1
335.16064	8.9
353.16824	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2848
Annotation	Melophlin R
Peak:m/z	Relative Intensity
52.50466	1.9
55.05512	13.9
56.05025	6.3
57.07069	5.4
57.63948	1.8
58.02977	8.9
58.06601	5.2
58.42088	1.9
59.04985	1.8
61.06899	1.9
62.29447	1.7
65.03947	2.0
67.05175	3.6
67.05510	47.0
69.07082	19.7
69.30883	10.8
69.31307	6.1
70.06596	55.0
70.66685	1.9
71.08603	2.7
75.24474	1.6
75.64040	1.7
79.05502	32.2
80.05033	2.5
81.05792	2.1
81.07063	35.7
82.06590	18.5
83.04976	2.8
83.08635	8.9
84.04499	6.3
86.09711	1.8
91.05469	12.0
93.07065	23.0
94.06581	13.2
95.04983	3.4
95.07411	1.9
95.08617	21.5
96.08141	15.5
97.10168	5.8
105.07053	9.5
107.08593	12.6
108.08096	4.3
109.10168	17.5
110.09680	2.4
114.12811	6.9
117.07053	3.6
119.08606	9.8
119.09340	2.1
120.08113	2.6
121.06562	2.1
121.10182	8.8
123.08127	2.5
123.11711	2.6
126.12794	37.2
131.08534	2.4
131.29619	1.8
132.07021	1.7
133.10152	4.3
135.11714	4.8
138.12814	2.8
145.10106	3.0
147.11684	2.5
149.13286	4.6
151.59164	2.0
152.14406	3.1
154.12296	15.2
159.11717	2.6
161.13243	2.1
163.11139	2.8
166.15923	31.0
168.13907	2.2
173.13229	2.0
174.51253	1.9
176.41234	1.8
180.13823	6.8
212.16463	42.0
212.18369	3.2
218.15488	2.7
220.17006	13.0
240.16000	6.8
252.19614	61.1
260.08798	1.7
263.23364	2.3
303.23132	2.8
305.24731	2.6
320.25821	2.3
322.27243	2.0
334.27408	11.0
352.28506	100.0
353.28995	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	352.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09185	4.4
53.03944	4.6
55.01868	9.0
57.03421	5.2
61.02914	6.7
63.52407	4.2
67.05498	18.6
69.03435	44.6
69.07075	82.8
69.86691	21.0
69.87095	7.9
71.04980	5.7
73.02917	6.6
79.05496	4.5
81.03421	27.7
85.02423	7.1
85.02911	100.0
86.09707	11.6
87.00832	49.1
91.05471	7.9
93.07037	8.3
94.94057	4.7
95.04984	5.2
95.08605	10.6
97.02901	64.6
99.04462	19.6
105.01884	97.7
109.02870	24.9
109.10133	9.9
119.08629	4.6
126.05533	5.3
127.03932	87.7
129.01770	5.0
131.08568	6.8
136.06197	99.5
137.09631	14.1
145.04968	56.1
147.08081	4.2
152.07083	9.4
155.10669	20.1
159.02904	17.4
173.11761	8.5
185.08244	8.8
202.10966	10.5
220.11948	91.7
225.52898	4.5
231.05011	32.6
243.77881	4.9
248.09245	19.8
249.06094	17.9
286.92023	4.3
352.16086	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	352.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	10.4
55.01863	6.1
57.03424	5.8
61.02919	5.6
67.05508	6.5
67.53265	2.0
68.99797	3.9
69.03432	32.5
69.07072	85.9
71.05006	5.6
71.30103	4.0
73.02896	7.2
81.02979	3.1
81.03422	38.3
81.07034	7.3
84.09073	2.1
85.02911	95.2
86.09708	4.4
87.00839	49.7
93.07054	3.0
94.47468	2.4
95.04957	4.6
97.02893	64.9
99.04496	11.0
103.03931	2.9
105.01183	4.8
105.01877	87.7
105.06989	3.0
109.02901	25.7
111.08089	5.2
119.83297	2.3
127.03925	100.0
129.01852	3.1
131.08559	2.7
140.07083	3.6
142.42564	2.4
145.03905	4.5
145.04979	64.3
147.02919	3.9
152.07060	11.3
153.09048	5.2
159.02922	18.1
177.09161	5.3
189.03947	4.0
192.10231	2.9
195.10153	8.1
213.03934	3.2
220.09740	5.3
224.55127	3.0
231.05014	23.8
248.09213	21.0
249.06114	8.6
268.61328	2.5
310.54501	2.3
361.05502	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	352.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	14.3
55.01874	2.4
55.05502	2.2
65.03929	1.3
65.11851	1.1
67.05167	1.4
67.05505	13.5
68.05014	1.5
68.88184	1.1
69.03447	7.1
69.07065	1.6
70.06614	1.1
71.13947	2.0
79.05506	2.8
81.03424	53.5
85.02896	2.5
91.05463	1.3
94.06564	3.6
95.04967	9.5
95.08638	1.7
96.04511	2.3
97.02891	2.4
99.38458	1.2
108.08126	1.7
109.02888	15.0
110.06075	2.0
112.07594	2.3
122.06044	11.8
122.09656	2.1
124.03941	2.0
124.07597	2.4
127.03927	2.4
131.07295	2.2
136.07568	1.7
140.07069	22.7
146.09639	2.8
150.09135	3.3
152.07082	61.8
164.07031	2.0
164.10748	5.0
174.09149	3.1
178.08646	10.9
192.10210	21.2
202.08681	3.3
206.08147	4.1
220.07718	2.2
220.09709	31.8
248.09204	100.0
249.09628	2.1
334.09222	6.2
353.41617	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.2
53.59776	1.6
55.01878	2.4
55.05516	17.0
57.03438	11.1
57.07067	5.7
61.35571	1.5
65.03935	1.8
67.05508	52.4
69.06729	1.6
69.07077	19.4
69.38396	6.2
69.38811	5.9
71.04993	3.1
75.04475	2.0
79.05496	75.9
81.03430	3.1
81.07059	65.2
82.95851	1.4
83.04984	3.4
83.08624	9.0
85.06532	5.3
90.81590	1.3
91.05482	60.6
93.07048	97.8
95.04970	6.2
95.08611	50.2
97.06530	4.6
97.10167	5.0
99.08110	3.1
103.05368	1.5
105.07033	62.4
106.07333	2.1
107.04926	1.7
107.08598	59.7
109.06520	2.9
109.10152	14.1
111.08078	2.9
113.09676	3.8
117.07022	14.8
119.04868	2.0
119.08584	58.0
121.10148	46.1
123.08087	2.1
123.11699	4.6
125.09653	1.8
129.06961	9.7
131.08585	22.3
133.10132	48.9
135.08073	5.7
135.11696	50.3
137.05968	8.7
137.09656	2.4
142.07794	2.1
143.08569	11.2
145.10127	23.1
147.04453	11.3
147.08092	2.2
147.11696	51.2
149.09593	3.9
149.13257	27.3
151.11142	2.1
155.67383	1.5
157.10139	11.3
159.11690	22.4
161.09610	3.0
161.13271	43.6
163.11241	3.3
163.14841	11.6
165.12785	1.9
170.16739	1.5
171.11719	15.0
173.13266	14.2
175.11191	5.2
175.14821	23.5
177.12791	5.3
177.16432	1.7
185.13252	15.0
187.14813	4.3
189.12794	5.7
189.16389	2.0
198.51389	1.9
199.14822	9.2
203.14374	2.8
213.16411	6.1
215.17961	3.0
217.19504	8.2
231.17419	3.6
231.21054	11.4
241.19498	39.4
259.20581	100.0
260.20862	2.5
277.21649	17.2
309.74731	1.6
333.24255	10.2
351.25317	73.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.2
55.05512	20.0
57.03448	14.2
57.07084	4.3
61.34978	2.5
63.57058	2.4
65.63172	2.4
67.05511	53.3
69.03420	5.6
69.07079	16.8
69.51834	7.1
69.52242	10.8
71.05007	3.8
71.08639	49.0
79.05497	43.8
81.03419	11.8
81.07059	58.6
83.05005	12.9
83.08611	14.1
91.04980	2.7
91.05496	35.8
93.07053	62.6
95.04976	12.3
95.08621	38.3
97.06545	11.3
97.10137	4.7
99.08093	31.9
105.07032	22.9
107.04960	8.7
107.08596	38.7
109.06554	4.2
109.10159	15.5
111.00806	5.7
111.04495	3.8
111.08186	3.3
117.07047	6.4
119.08591	22.5
121.10141	28.8
123.08086	4.5
123.11723	3.8
123.39762	2.9
127.03921	4.4
127.11163	5.1
131.08597	6.6
133.09271	3.2
133.10110	17.8
135.11708	28.4
137.09654	4.6
139.03876	3.4
141.09131	4.3
143.08624	3.0
145.10175	6.8
147.04424	6.1
147.11732	11.6
149.13298	12.6
151.11177	18.6
159.11685	6.1
161.13271	16.2
163.11214	11.7
163.14828	3.4
171.11861	3.9
173.13298	3.3
177.12737	3.6
179.14325	100.0
180.12915	2.5
180.14685	3.1
195.13788	3.4
235.17023	3.8
241.19673	3.8
241.56068	3.0
259.20526	7.8
265.18060	4.0
277.21667	42.1
293.17432	18.1
351.21500	5.3
351.25348	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13978	3.4
53.03935	9.2
55.01840	4.4
55.05518	18.6
55.69769	3.2
57.03448	7.0
57.07085	5.4
67.05511	53.9
69.07071	26.8
69.43954	20.1
69.44386	11.4
71.04981	8.4
71.08612	3.2
79.05499	80.2
81.03412	4.2
81.07060	85.0
83.05000	5.6
83.08621	12.5
85.06519	4.2
91.05479	70.6
93.07054	100.0
95.04974	7.6
95.08618	54.4
97.06516	7.2
97.10165	4.6
99.08105	3.9
105.07040	67.8
107.08606	61.8
109.06514	8.1
109.10156	19.5
111.04378	5.5
111.08112	7.6
117.07032	12.8
119.04950	14.5
119.08578	52.8
121.10139	56.1
123.11694	4.0
129.05521	4.0
129.07031	10.1
131.08594	28.5
133.10141	60.2
135.08051	5.0
135.11708	40.6
137.06013	18.7
143.08574	14.0
144.83209	3.5
145.10136	32.9
147.04402	25.1
147.08035	5.0
147.11693	58.2
149.09639	6.1
149.13249	22.6
151.11224	5.8
157.10152	12.8
159.11731	21.3
161.09583	5.6
161.13255	43.1
163.11232	5.0
163.14835	8.0
167.22041	3.6
171.11734	15.7
173.13281	14.6
175.11302	6.4
175.14822	19.2
177.12842	7.7
185.13281	19.3
187.14772	4.9
189.12717	4.2
195.13939	4.8
199.14845	9.4
207.13834	5.4
215.17992	5.0
217.19444	7.2
221.53020	3.6
231.09283	4.2
231.17390	4.0
231.21121	11.4
241.19522	31.4
259.20590	94.5
277.18008	11.0
277.21646	19.9
289.08371	4.4
305.24615	4.1
328.19620	3.9
333.24252	12.8
351.17148	8.5
351.21698	5.5
351.25397	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	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.4
54.89728	2.6
55.01862	4.7
55.05510	18.6
55.38643	2.3
57.03438	7.2
57.07071	6.6
67.05508	56.7
69.07066	20.6
69.48743	17.4
70.41515	2.0
71.04993	6.1
71.08630	7.5
76.56518	2.6
79.05495	63.2
81.03428	4.3
81.07068	66.8
83.04979	4.6
83.08627	11.2
85.06544	6.1
91.05483	67.6
93.07055	91.5
95.04981	10.0
95.08611	37.2
97.06522	7.3
97.10201	3.6
99.08092	8.0
104.48808	2.6
105.07034	69.5
107.04974	3.1
107.08604	48.5
109.06552	4.7
109.10176	19.2
111.00849	5.8
117.07042	15.1
119.04987	3.1
119.08591	60.9
121.10149	38.5
123.08084	4.8
123.11686	4.8
125.09645	2.5
127.03915	4.8
128.06261	3.3
129.06996	12.5
131.08591	23.1
133.10139	61.5
133.14108	3.3
134.10588	2.7
135.08089	4.3
135.11714	37.6
137.09570	3.5
139.03883	5.5
143.08533	12.8
145.10127	28.6
147.04416	11.4
147.07999	3.7
147.11685	49.8
149.09636	4.9
149.13277	27.9
151.11209	6.2
157.10153	10.6
159.11694	22.5
161.13261	42.5
163.11263	3.6
163.14883	6.3
171.11734	16.1
173.13315	12.6
175.14870	19.4
177.12787	3.7
179.14333	11.0
185.13322	14.7
187.14864	3.8
189.12697	2.5
199.14827	8.6
213.16396	4.2
225.24236	2.4
231.17497	4.9
231.21121	11.4
241.19537	32.6
258.83115	2.5
259.20581	100.0
260.20932	3.2
277.21594	11.3
304.41516	2.5
305.21100	4.4
314.45718	2.4
333.20544	12.5
333.24210	5.1
351.25385	65.0
360.35788	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	351.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06491	4.8
55.01874	5.9
55.05522	35.9
57.03437	11.0
57.07082	7.7
67.05508	58.3
68.22796	5.2
69.07069	24.6
69.69492	37.8
70.06581	5.7
71.04996	9.4
79.05499	63.1
81.03452	6.4
81.07063	91.1
83.08621	16.2
85.06560	10.4
86.15431	7.0
91.05487	61.2
93.07045	85.2
95.04974	12.7
95.08627	64.2
97.06548	13.0
97.10169	5.5
99.08094	8.2
105.07023	55.9
107.08595	50.2
109.06522	8.4
109.10152	26.5
111.00774	9.0
117.07003	16.7
119.08599	55.7
121.10160	54.8
123.11681	9.6
127.03923	10.6
129.07027	11.8
131.08563	25.4
133.10143	42.5
135.11707	31.2
137.05992	12.3
143.08557	15.1
145.10129	22.7
147.04466	15.8
147.11705	37.9
149.13277	26.5
151.11156	5.3
157.10127	15.2
159.11719	26.3
161.09637	6.6
161.13274	75.0
163.11179	7.8
163.14787	17.8
171.11737	25.1
173.13292	12.6
175.11182	7.7
175.14824	31.3
185.13257	15.4
189.12772	8.4
199.14877	16.5
203.14398	7.1
217.19621	7.0
231.21149	14.5
239.15678	5.2
241.19556	45.0
259.20602	87.0
277.21634	33.0
295.27454	6.5
333.24332	15.4
351.25354	100.0
354.73514	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	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.9
55.01875	2.9
55.05268	1.7
55.05515	20.8
57.03442	10.3
57.07079	3.8
63.13366	1.4
65.03944	2.5
67.05509	57.3
69.03432	2.0
69.07076	19.8
71.04993	5.4
71.08629	8.9
73.75658	1.6
75.04505	1.8
76.80033	1.4
77.03905	1.7
79.05496	73.9
81.03427	2.6
81.07061	68.3
83.05005	3.5
83.08620	9.8
85.06535	5.3
91.05486	68.5
93.07051	95.2
95.04969	8.0
95.08615	46.0
97.06532	3.6
97.10182	2.3
98.20676	2.2
99.04494	1.6
99.08118	8.9
102.56123	1.4
105.04539	1.9
105.07037	60.3
107.04990	3.5
107.08603	57.7
109.06540	2.7
109.10168	15.9
111.08076	2.7
113.09630	3.2
117.07037	13.5
119.08591	54.9
120.78523	1.5
121.10149	45.6
123.08044	2.4
123.11735	4.2
128.06285	2.4
129.07007	11.2
131.08569	24.8
133.10144	51.8
135.08046	3.4
135.11711	41.7
137.09674	2.9
143.08591	9.1
145.10133	22.8
147.04436	5.6
147.08047	1.8
147.11702	49.4
149.09633	3.5
149.13275	25.3
151.11232	4.6
153.12793	1.8
157.10132	8.1
159.11697	20.0
161.09586	2.9
161.13271	43.6
161.14610	3.0
163.11163	3.4
163.14835	11.0
165.12775	1.6
171.11717	16.1
173.13283	10.0
175.11237	2.2
175.14827	23.4
177.12764	5.7
179.14345	15.6
185.13275	13.7
187.14807	3.6
189.12740	3.6
189.16412	1.7
197.52177	1.5
199.14839	9.3
201.16502	2.4
203.14340	2.2
207.13875	1.6
213.16406	5.8
215.17972	2.2
217.15828	2.1
217.19550	5.9
221.15454	1.8
231.17554	4.2
231.21068	9.3
241.19551	33.5
259.20593	100.0
277.21680	20.6
333.24329	7.7
351.25360	64.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2168
Annotation	Pachyclavulariolide Q
Peak:m/z	Relative Intensity
55.05520	13.3
57.07067	2.1
67.05511	21.0
68.99793	3.8
69.07076	8.6
69.07391	1.9
71.04978	5.2
71.56174	1.7
79.05511	8.9
81.03400	3.1
81.06591	1.4
81.07067	27.4
83.08635	18.7
85.06540	2.2
91.05476	8.2
93.07048	12.5
95.04968	2.0
95.08613	40.7
97.09719	1.2
97.10190	14.0
101.43540	1.4
105.07043	5.3
107.08591	10.6
109.02895	2.9
109.06528	2.1
109.09464	1.8
109.10170	25.0
111.00795	2.6
111.08085	2.6
111.11707	1.6
115.11204	1.7
119.08578	8.3
121.10207	6.4
123.11723	10.3
127.03929	100.0
128.04295	1.4
131.08580	1.8
133.10156	8.8
135.11678	3.9
137.05951	1.6
143.08463	1.6
145.10175	2.8
147.04399	3.0
147.11734	6.2
149.13283	5.2
157.10155	1.9
159.11725	2.5
161.13228	3.9
165.12811	1.8
171.11804	2.6
172.12225	1.6
175.14848	3.3
179.17952	5.8
187.15002	1.3
189.16434	8.9
197.19012	1.8
207.17387	1.9
212.73566	1.4
225.18527	2.5
241.19592	3.8
243.19574	30.6
259.20660	7.4
293.17520	3.2
309.20663	2.5
322.84744	1.6
351.21646	10.3
351.25058	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	1.0
51.02376	1.4
53.03708	1.0
53.03949	17.3
55.01875	2.2
55.05299	1.2
55.05513	10.8
57.03428	2.9
65.03924	1.8
67.05505	30.3
69.03432	39.5
69.03810	2.0
69.07070	7.0
69.44678	6.9
71.04996	11.9
73.06549	1.5
76.25443	0.9
79.05495	42.4
81.03419	100.0
81.07059	24.2
82.03651	0.8
82.22025	1.0
83.01299	0.8
83.04975	9.5
83.08616	4.6
85.02895	4.2
85.06544	1.3
91.05486	33.9
93.07047	46.6
95.04971	11.3
95.08608	15.8
97.02901	19.1
97.06532	2.9
97.10143	3.4
99.04456	13.4
105.07032	28.4
107.04953	4.8
107.08599	10.2
107.15173	0.9
109.02886	29.2
109.06551	4.5
109.10141	2.6
109.67695	0.9
111.04420	1.6
111.08091	1.6
115.85473	0.9
117.07014	7.0
119.04961	2.4
119.08586	12.8
121.06515	3.8
121.10152	4.7
123.08057	4.5
123.11703	1.1
127.03921	62.9
127.07516	1.2
128.06152	1.2
129.07016	10.6
131.08537	3.1
133.10133	6.7
135.08031	1.2
135.11678	2.3
139.07607	1.0
143.08571	8.5
145.10092	7.4
147.03355	1.4
147.04413	12.1
147.08087	2.0
147.11687	28.7
151.11194	1.3
159.11710	2.1
161.09636	2.9
161.13240	12.3
169.10240	1.2
171.10246	1.4
171.11705	23.4
179.14314	1.3
181.77287	0.9
189.12779	8.1
207.13823	17.6
245.80170	1.2
281.04385	1.0
292.21881	1.0
339.06375	0.9
351.17996	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	351.134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92067	0.4
57.06817	0.3
59.63631	0.4
65.03931	1.1
70.76707	1.1
80.86742	0.4
87.69321	0.4
91.05489	11.3
103.91022	0.4
119.04948	27.0
136.99057	0.4
138.68495	0.4
139.17265	0.5
147.04416	100.0
148.04761	1.1
155.69130	0.4
159.09175	2.5
188.07036	0.6
207.14027	0.4
266.48468	0.4
275.60129	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.6
65.03933	0.8
66.80774	0.6
67.05504	1.2
71.04994	0.6
71.65212	0.4
81.07046	1.4
91.05484	11.6
93.07038	1.0
94.14209	0.5
95.04977	0.5
95.08598	1.6
105.07029	2.9
107.04944	1.5
107.08598	1.1
108.61080	0.5
109.02822	0.5
109.10151	0.7
119.04948	26.0
119.08595	0.8
120.05346	0.5
121.10176	1.1
122.09673	2.1
130.06558	0.8
133.10123	1.8
141.06912	0.5
146.06009	0.8
147.04414	100.0
148.04747	1.2
159.08032	0.7
159.09183	2.6
161.09669	1.5
163.11172	1.1
179.10617	0.5
185.07137	0.8
188.07181	1.3
189.08997	0.5
205.09726	0.6
222.71397	0.5
250.21965	0.6
307.16583	1.0
332.28149	0.4
351.21762	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68181	0.4
55.05530	0.4
56.05037	2.5
58.99580	0.4
62.03829	0.4
63.51530	0.4
67.05505	1.0
67.15887	0.5
68.21558	0.4
71.15826	0.4
71.16161	0.8
74.75200	0.4
79.05483	0.8
81.07036	0.6
82.06591	2.8
83.07362	0.9
84.08149	100.0
85.08502	0.9
87.02713	0.8
88.00379	0.5
91.05460	1.0
93.07063	1.4
94.04528	0.4
95.08619	1.3
99.02682	0.5
99.16846	0.5
101.04251	23.1
110.06069	0.9
121.06541	0.7
125.04219	1.2
127.05805	2.6
129.10240	1.2
130.08652	6.5
147.04488	0.5
147.11305	1.8
147.41766	0.5
148.20836	0.4
153.03807	0.6
159.03015	1.5
177.04050	20.1
187.02477	1.8
205.03513	6.9
270.09818	5.3
288.10886	27.5
289.11331	0.8
305.13751	0.6
333.13513	2.8
351.14130	54.8
352.14346	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60202	0.4
52.13725	0.4
59.31027	0.4
65.03947	1.2
69.40389	1.7
69.40820	1.7
91.05484	12.1
108.48342	0.4
111.07528	0.4
111.41068	0.5
119.04951	26.9
120.05248	0.4
134.89381	0.4
146.05995	0.5
147.04416	100.0
148.04750	0.7
159.09145	2.4
173.90781	0.4
175.16862	0.5
188.07112	0.7
188.37738	0.4
230.36469	0.5
249.53680	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.119
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54921	1.2
55.01879	5.8
56.05032	3.2
65.77604	1.0
67.05501	2.6
69.03426	2.3
70.25611	1.1
70.75081	0.9
71.41563	0.9
71.56843	1.0
79.05493	1.9
81.28553	0.9
82.06589	6.0
83.07357	2.5
83.54579	0.9
84.08149	100.0
85.02912	2.3
85.06573	1.0
85.07655	1.5
85.69193	1.0
91.05486	2.5
93.07040	3.1
95.04980	1.3
95.08622	2.1
97.01090	1.2
97.02916	1.5
99.04450	1.1
101.04258	9.3
104.98349	1.9
105.07027	2.7
107.04973	1.8
108.04487	1.9
110.06045	1.6
119.04955	1.5
121.02870	2.4
121.06515	1.6
123.04408	2.3
125.04211	2.5
128.06226	1.3
128.07079	1.3
130.08629	5.0
139.59930	1.0
145.02824	1.6
147.04428	3.5
147.08063	2.1
155.05167	1.2
155.07336	1.0
159.02971	2.2
168.06529	1.6
170.06264	1.8
171.06657	3.9
177.04025	5.7
185.07098	1.5
187.02496	4.5
187.08778	1.4
188.07391	1.3
190.07167	1.3
198.07735	1.4
198.09309	1.2
199.08723	2.0
201.06721	1.6
203.08269	1.2
205.03546	4.4
206.15431	1.6
213.01926	1.1
213.06644	3.2
213.10265	4.9
214.07359	4.2
215.08148	3.9
217.06168	1.9
217.09766	3.0
219.07666	3.5
223.08670	1.2
224.52963	1.3
227.04582	1.2
227.08170	5.8
231.02917	1.7
231.07652	3.7
232.08418	2.6
233.09258	2.5
237.06625	1.2
238.07503	1.2
241.06035	3.2
241.09782	12.4
242.06960	4.0
243.07703	2.9
245.09293	6.1
247.02390	2.8
251.08110	2.0
255.07718	10.2
259.07080	2.6
259.10794	4.5
260.07916	3.4
261.08649	2.6
268.33682	1.1
269.09253	11.3
270.09845	8.5
271.10745	3.0
272.09274	1.6
273.08673	11.2
287.10287	10.4
288.10907	23.3
289.11740	2.5
291.09549	2.4
297.08670	11.4
302.60559	1.1
305.11105	1.4
315.09769	41.6
315.13446	2.4
333.10745	83.6
351.11865	58.9
352.12076	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1188
Annotation	Cystothiazole E
Peak:m/z	Relative Intensity
55.01680	1.2
55.01967	5.0
62.85057	0.7
64.52419	0.6
65.55569	0.6
69.52705	4.0
69.53116	1.2
84.08267	3.0
85.03003	1.1
92.59610	0.7
93.18127	0.6
98.20842	1.0
98.21458	1.7
121.02961	1.0
122.48511	0.8
149.26294	0.7
156.08217	0.7
168.06732	1.1
170.09792	0.9
171.05685	0.9
178.05080	0.9
184.07716	1.3
185.07237	2.3
185.10823	0.8
187.08838	0.9
189.06746	1.4
198.07851	0.8
199.08829	3.0
199.90150	0.7
201.06729	3.1
202.08849	1.5
203.08330	2.0
206.04668	1.3
211.08801	1.2
212.05898	1.2
213.06644	4.2
213.10197	5.9
214.07349	4.3
215.08128	4.6
217.06279	2.3
217.09654	4.6
219.07642	3.5
223.08705	1.4
225.06790	1.3
226.08904	1.2
227.04703	1.5
227.08179	6.8
231.07806	2.8
232.08405	4.4
233.09120	4.3
237.06760	1.8
241.06149	3.2
241.09738	14.8
242.06818	4.1
243.07639	3.4
245.05620	1.5
245.06625	0.9
245.09212	8.6
247.02504	1.2
251.08286	1.6
255.07629	11.7
259.07275	2.9
259.10739	4.1
260.07898	6.3
261.08841	2.1
269.09183	12.5
270.07498	1.2
271.10858	2.2
272.09262	1.2
273.08673	11.0
287.10254	14.3
289.11960	2.9
289.27490	0.7
291.09839	2.8
297.08734	14.9
297.11893	1.4
305.11380	2.9
315.09750	51.3
316.10150	1.2
333.10825	100.0
334.11081	2.5
351.11847	92.7
352.12173	3.0
357.04333	0.7
371.81476	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39868	1.7
55.01858	1.6
56.96560	4.7
57.03432	3.3
61.02923	1.9
69.03436	6.8
70.40881	3.0
70.41252	3.3
71.04979	2.5
81.03434	2.8
84.96034	1.9
85.02921	14.9
89.03921	5.5
91.05490	2.1
97.02909	7.3
98.97587	7.2
100.00137	3.1
101.00881	18.7
103.00641	9.5
108.10440	1.7
109.02898	3.5
110.97562	3.2
113.00864	3.4
115.00624	3.3
115.02441	6.4
116.98590	2.2
117.03389	2.1
118.01191	2.8
119.01924	33.7
119.04958	2.0
121.01670	18.2
121.02438	2.1
127.03951	5.4
128.98590	3.5
129.02136	2.7
131.01923	19.2
131.47458	1.4
133.01648	11.0
133.03421	9.6
135.03273	3.1
135.04430	5.2
137.01935	1.5
137.03023	2.3
138.01634	2.3
139.02475	2.2
141.03955	3.3
142.01114	10.1
143.01888	8.6
144.02689	5.4
145.01646	4.5
145.03600	7.6
145.04927	2.4
146.99646	2.2
147.03293	2.3
147.04446	5.6
148.04686	2.1
149.03006	2.0
155.01921	4.7
156.02727	7.5
156.47525	1.8
157.01678	3.2
157.03464	20.2
158.99652	2.2
159.03271	2.5
159.05043	9.5
160.02199	9.8
161.01237	1.5
161.02945	7.4
163.02678	4.4
163.03915	22.9
166.01178	3.0
167.01947	4.4
168.03766	5.2
168.53812	2.1
169.03496	4.6
170.99640	6.0
171.01360	3.1
171.05060	5.2
173.02983	9.0
174.99071	2.4
175.02890	3.3
175.04535	10.6
177.00844	2.4
180.03711	2.4
181.03442	2.7
182.99611	2.1
184.02167	8.2
185.02998	5.8
187.02869	2.2
187.04497	3.3
189.00717	7.3
189.02426	3.3
189.04305	2.6
197.02928	3.2
198.99168	4.7
199.04482	10.3
200.85077	1.6
201.00800	3.5
203.04036	3.2
205.03751	2.3
210.04936	3.0
215.00310	2.2
216.00792	2.0
217.00143	15.4
217.05695	8.0
219.01738	4.2
219.05275	4.6
221.03122	4.1
221.05135	1.9
223.06590	2.1
231.01663	9.1
233.03226	3.5
235.06641	100.0
236.06990	2.9
237.06306	3.0
243.01805	3.2
245.05138	5.3
249.02707	17.2
251.04398	7.3
253.07706	42.4
258.08313	2.4
261.02759	5.2
261.08157	21.3
269.05396	7.7
270.05200	2.8
277.07642	2.9
279.09485	14.7
287.05365	1.9
289.07678	64.7
291.05963	3.2
293.05975	2.9
304.09647	1.9
305.07095	5.7
307.08792	7.1
319.02991	2.5
333.06738	49.3
351.07632	25.1
351.11331	5.5
369.08282	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01445	17.0
69.03452	15.7
71.05000	79.5
71.56552	18.6
78.91418	16.3
81.07060	100.0
85.02912	47.4
85.06559	22.7
86.09708	17.9
86.98439	14.8
93.07044	39.2
95.08630	36.3
100.79999	20.3
107.08630	30.9
114.01309	16.3
132.19872	18.0
135.11693	34.1
137.13298	43.3
147.04335	17.0
194.04451	22.6
204.08609	17.8
278.29233	16.0
318.09531	15.8
350.12350	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.269
Annotation	Neovasipyridone B
Peak:m/z	Relative Intensity
53.03939	3.9
55.01864	3.4
55.05513	16.1
56.05041	9.6
57.07074	2.8
58.02961	11.8
58.06596	3.8
58.59255	1.1
59.04992	1.4
59.12222	1.3
60.04519	3.3
65.03939	3.1
66.65311	1.2
67.05177	2.2
67.05510	33.4
68.05024	2.9
69.07071	16.5
70.06246	1.7
70.06599	21.9
70.09637	4.1
71.05002	1.4
71.08652	7.3
72.04498	2.3
72.08150	4.0
78.37167	1.2
79.05498	37.5
80.05006	4.0
81.03425	1.9
81.05796	2.7
81.07060	37.6
82.06577	20.8
83.04992	2.2
83.07383	1.3
83.08628	5.5
84.04511	9.7
84.08148	39.2
85.06541	2.6
86.06084	2.1
86.09672	1.9
88.11272	18.8
91.05486	28.5
93.07056	30.0
94.06570	49.2
95.04985	5.7
95.07356	5.6
95.08610	29.1
96.08134	16.2
97.06530	2.8
97.10161	5.4
98.06048	1.7
99.08119	1.3
105.07030	22.9
106.06544	6.8
107.04951	2.5
107.07385	2.3
107.08601	23.6
108.08150	6.5
109.06519	3.6
109.08910	2.0
109.10155	13.1
110.06078	1.6
110.09683	8.5
111.08078	1.9
112.07622	9.1
112.11296	2.1
114.09187	2.1
115.05458	1.2
117.07021	4.7
119.08606	14.7
120.08086	3.4
121.06474	1.3
121.08869	1.7
121.10158	11.0
122.09676	5.6
123.08072	3.5
123.11735	3.7
124.07610	1.2
124.11243	19.3
131.08574	9.5
132.08092	2.1
133.10136	5.3
134.09657	4.2
135.08090	2.3
135.10599	1.5
135.11708	6.9
136.11212	7.5
140.10732	1.5
141.65099	1.2
143.08569	2.1
145.10136	7.2
147.11668	7.1
149.13264	3.3
152.10744	8.4
152.14415	1.5
154.12337	1.8
157.10052	1.4
159.11690	4.6
161.13316	2.8
162.12787	2.6
163.11241	1.5
164.14328	7.6
165.12823	1.2
168.13861	1.4
171.11894	2.8
173.13307	2.5
175.14870	1.5
180.13872	7.5
184.17023	1.4
185.13290	1.7
187.14810	2.2
194.15501	1.2
196.13382	1.3
199.14853	1.3
200.16502	1.7
206.15446	2.1
212.16467	29.5
218.15466	1.3
220.17009	8.3
232.17030	1.9
238.18083	5.1
240.15994	2.7
252.19614	26.9
260.20090	1.5
264.19617	3.7
278.21259	2.0
280.19113	3.9
291.23178	1.9
292.22705	21.2
293.24945	1.7
301.21417	1.7
303.23206	2.2
315.23367	1.6
318.24179	2.4
332.25787	12.4
350.26929	100.0
350.33533	15.0
351.27032	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	20.7
53.25731	2.4
55.01879	20.4
55.05518	36.4
56.09662	2.2
57.03436	23.8
67.05170	4.3
67.05509	78.7
69.03423	3.0
69.07072	81.6
69.48564	8.5
69.48992	8.2
71.04997	4.1
79.05499	78.6
81.02979	3.1
81.03426	43.6
81.07064	100.0
83.04981	15.7
83.08617	13.1
85.06551	4.5
91.05488	84.4
93.07050	78.1
95.01338	28.0
95.04979	29.1
95.08612	75.0
95.09228	2.6
97.06542	38.1
97.10174	5.4
98.21597	2.6
99.08083	3.6
100.15200	2.3
103.05457	2.8
103.16991	2.1
105.04510	2.1
105.07041	95.1
107.04279	4.8
107.04965	56.2
107.08595	33.6
109.06533	13.1
109.10162	14.0
111.04462	2.6
111.08099	4.8
113.09653	2.4
115.05471	3.1
117.07037	32.2
119.07780	4.4
119.08594	53.6
121.06496	9.3
121.10142	14.4
123.04451	7.3
123.08103	13.6
125.09624	3.9
126.23048	2.4
128.06262	3.6
129.06981	6.5
131.08582	43.3
133.06508	3.9
133.10141	68.0
133.16916	2.4
135.08049	7.2
135.11722	15.1
137.09587	3.7
139.07492	3.5
139.30727	2.3
141.06998	3.2
143.08562	6.6
145.06526	4.8
145.10129	30.7
147.08063	2.7
147.11716	26.2
148.78510	2.2
149.09651	13.6
149.13298	11.4
151.11188	3.5
155.08659	3.5
157.10092	6.8
159.11710	30.1
161.09644	2.6
161.13205	13.6
163.11201	9.6
165.09055	3.0
169.10133	7.5
171.11671	5.8
173.13188	4.5
177.12762	14.7
179.14325	35.5
183.11732	6.3
185.13025	2.7
187.11189	10.0
187.14894	2.7
195.13820	3.8
197.13248	2.3
197.93222	2.7
201.12897	2.1
203.14349	2.9
203.31152	2.2
205.12265	2.5
224.45073	2.6
229.19371	3.0
241.14201	3.2
247.20534	3.5
257.19064	10.2
275.20090	73.1
349.23798	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	15.5
55.01876	23.1
55.05516	45.0
57.03226	2.3
57.03441	27.6
57.07072	6.2
59.04991	2.6
67.05508	89.4
69.03436	5.1
69.07075	54.7
70.96313	3.8
70.96649	3.0
71.04983	7.7
79.05498	100.0
81.03414	23.8
81.07060	92.4
83.04972	24.4
83.08626	14.7
85.02940	2.8
85.06535	7.0
91.05486	82.3
93.06467	4.5
93.07053	80.8
95.01321	14.7
95.04965	18.6
95.08611	61.0
97.06549	34.4
97.10162	11.0
103.05482	2.7
105.04507	2.6
105.07037	94.2
107.04967	43.2
107.08601	59.8
109.06516	10.4
109.10155	27.0
111.08138	4.5
113.09653	2.6
115.05419	4.6
117.07021	27.9
119.07796	4.2
119.08598	66.9
121.06521	7.5
121.10155	27.4
123.04449	5.2
123.08069	8.9
123.11755	5.0
125.09602	7.1
129.07013	7.2
131.08575	34.5
133.10133	49.4
134.14053	2.4
135.08067	8.1
135.11685	13.7
137.09627	4.5
141.07028	4.4
143.08604	4.1
145.06465	3.0
145.10123	25.6
147.11696	30.9
149.09628	30.3
149.13264	10.0
151.11156	3.8
153.09097	2.8
155.08525	3.5
157.10156	4.8
159.11720	25.4
161.09677	3.0
161.13292	9.8
163.11174	6.3
163.14825	4.9
169.10117	8.1
171.11731	5.1
173.13281	11.5
175.11169	2.9
177.12750	11.4
179.14331	19.5
183.11710	4.0
187.11212	12.0
187.14822	4.5
189.11220	4.2
197.13353	4.7
209.15390	4.0
229.01538	5.2
229.19595	7.5
233.15579	2.8
239.17996	2.8
247.20627	5.3
257.18918	13.1
275.20078	71.9
349.23795	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	18.7
55.01868	20.7
55.05514	28.5
57.03223	1.9
57.03440	19.5
57.07091	2.7
58.20644	2.2
62.06137	1.8
65.03933	4.3
67.05507	77.4
67.65221	1.8
69.03445	3.2
69.07069	79.0
69.25244	18.6
71.04992	4.3
77.03912	2.1
79.05495	61.8
79.60519	1.7
81.03422	32.5
81.07059	99.7
83.04987	12.3
83.08624	14.6
84.68013	1.8
85.06557	3.5
90.96082	1.9
91.05485	73.8
93.07049	61.5
95.01342	22.7
95.04977	23.0
95.08610	61.1
97.06537	33.6
97.10170	4.0
99.08131	2.1
103.05439	3.6
105.07034	100.0
107.04286	3.0
107.04965	42.5
107.08604	30.9
109.06518	12.8
109.10146	12.0
111.04408	2.9
111.08071	3.8
113.09612	2.1
115.05460	2.7
117.07018	28.6
119.08579	51.3
121.06480	8.0
121.10133	19.9
123.04422	4.0
123.08052	10.7
123.11705	2.3
125.09608	3.6
129.07027	5.9
131.08578	39.2
133.10132	58.8
135.08055	6.7
135.11684	15.1
137.09631	2.4
139.07480	3.0
141.06953	5.4
143.08546	8.0
143.55177	2.0
145.06488	8.6
145.10124	27.6
147.11674	22.2
149.09627	10.6
149.13260	14.0
151.11183	4.5
157.10175	5.7
159.11699	27.6
161.09648	3.8
161.13246	11.4
163.11139	7.6
165.09164	2.9
169.10098	6.8
171.11638	4.7
173.13316	6.3
177.12785	9.4
179.14314	32.3
183.11699	2.4
187.11198	8.5
195.13901	2.3
197.13249	1.9
205.12196	3.3
219.17334	2.4
227.27974	1.8
229.19476	4.1
239.18019	5.1
241.14163	2.5
247.20586	4.1
257.18997	8.9
275.20071	67.4
322.46521	2.0
344.88538	2.4
349.19766	2.6
349.23776	37.1
349.30838	2.3
351.44547	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00177	2.1
53.03938	4.4
55.01865	4.7
55.05518	14.9
57.03184	2.5
57.03441	35.8
57.07071	2.8
61.02935	2.1
66.33675	1.8
67.05509	40.2
69.07076	13.7
70.96843	4.5
71.04968	2.3
72.63544	2.3
73.06528	2.0
75.68031	1.9
78.79429	2.1
79.05501	39.9
81.03410	3.9
81.07063	40.4
83.04967	6.0
83.08609	6.4
85.06551	12.4
91.05485	50.9
93.07054	44.1
95.04957	6.0
95.08047	2.3
95.08618	29.4
97.06531	6.2
97.10127	2.5
99.04427	9.1
100.51160	1.9
105.06380	3.1
105.07032	35.4
107.04948	7.7
107.08597	18.8
109.06510	11.5
109.10168	8.9
111.08090	3.5
117.07034	17.1
119.08581	29.3
121.06551	4.7
121.10139	17.3
123.08049	6.0
123.11681	2.4
129.07004	4.9
131.08582	28.6
133.06454	2.1
133.10147	18.0
135.08035	3.1
135.11674	9.3
137.09589	2.7
143.08560	6.8
145.10112	17.0
147.11641	5.9
149.09622	5.7
149.13287	3.3
153.12758	5.2
159.11665	9.5
161.13191	4.6
163.11116	3.7
171.11745	2.4
173.13255	7.4
175.11203	2.2
175.14789	2.3
177.12691	2.5
179.14285	7.9
185.13280	3.6
201.12669	1.8
201.16388	6.8
203.14264	4.6
214.37646	2.2
219.17456	100.0
220.17679	2.8
257.19116	2.7
275.20071	17.6
331.26349	3.6
349.23972	20.0
349.27588	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	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.6
55.01866	3.9
55.05509	18.5
57.03186	2.5
57.03443	30.5
65.03963	2.5
67.05507	38.3
69.03434	2.5
69.07070	21.9
69.07888	2.0
69.39881	1.8
71.26057	3.5
79.05495	53.1
79.05961	2.6
81.03425	6.0
81.07062	100.0
83.04990	6.9
83.08614	8.5
85.06554	11.2
91.05483	50.3
93.07053	43.6
95.04969	11.4
95.08607	30.0
97.02905	2.0
97.06528	10.5
97.10141	2.6
99.04454	6.1
99.08080	2.1
105.04521	2.1
105.07037	37.6
107.04942	9.7
107.08595	31.2
109.06531	36.7
109.10170	12.4
111.08092	5.0
117.07021	16.8
119.08584	35.7
121.06525	5.3
121.10162	18.8
123.08084	5.9
123.11706	4.1
128.06207	2.0
129.06995	5.1
131.08559	24.1
133.10136	21.8
135.08072	6.0
135.11717	12.6
137.09612	2.9
143.08626	4.7
145.10120	19.2
147.11699	15.6
149.09639	7.2
149.13293	6.5
151.11191	2.7
153.12720	2.1
157.10158	5.2
159.11740	12.9
161.13301	5.6
163.11247	4.0
163.14937	2.3
171.11742	3.4
173.13333	8.5
175.11185	3.2
175.14827	3.1
177.12692	2.2
183.11661	3.2
185.13216	3.2
187.11237	2.1
187.14749	1.9
193.12285	2.3
197.13303	2.5
201.16438	4.2
203.14369	2.4
219.17448	80.2
219.19601	4.1
220.17816	2.8
229.19577	4.0
239.17717	1.7
247.20639	5.6
257.18997	7.8
275.20071	32.8
349.20181	2.1
349.23816	30.7
349.31219	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	349.1647
Annotation	Eremantholide A
Peak:m/z	Relative Intensity
53.03942	0.8
55.01866	2.2
55.05513	5.5
58.96013	0.6
62.59806	0.6
67.01860	1.4
67.05518	4.7
68.99786	5.4
69.03439	0.9
69.06720	1.4
69.07073	18.2
69.07444	1.0
69.41891	6.0
71.01331	0.7
71.04987	0.7
74.94550	0.6
77.54151	0.6
79.05492	4.3
81.03407	1.1
81.07070	7.2
83.04977	2.6
83.08629	4.6
85.02921	1.7
85.06519	0.7
91.05490	2.3
93.07040	8.5
95.04970	1.6
95.08623	5.0
97.02893	1.4
97.06548	5.1
97.10217	0.8
97.94881	0.7
105.07027	2.1
107.04963	0.8
107.08592	6.3
109.06531	1.2
109.10170	3.1
111.00810	19.2
111.04445	3.6
111.08081	4.2
111.11716	0.8
117.07038	0.8
119.08595	1.5
120.19917	0.8
121.06558	1.7
121.10164	2.3
123.08024	1.1
125.05981	2.6
125.09679	1.0
127.03925	9.1
131.08632	1.3
133.10132	1.6
134.57480	0.7
135.08092	2.4
135.11717	6.4
137.09599	1.1
139.03911	33.4
139.07533	1.5
145.06612	0.9
145.10086	0.8
149.09647	0.9
149.13274	5.9
153.05505	0.8
153.09175	0.9
153.12767	0.9
159.11707	2.0
161.09610	0.7
163.11143	1.1
167.07037	1.2
167.14346	1.8
177.09088	0.8
177.12753	4.0
181.08636	2.7
191.14360	1.5
195.10023	0.8
195.13832	7.2
213.14851	6.4
215.16417	1.9
219.13693	0.8
221.15242	0.9
223.13277	2.3
237.14865	43.2
265.14362	60.9
266.14661	0.7
275.20117	1.1
281.17508	4.9
291.12390	0.9
307.15448	15.7
314.38309	0.8
315.75702	0.7
348.65762	0.8
349.16470	100.0
350.16821	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.6
55.01861	9.0
55.05519	21.0
56.96557	3.5
57.03440	19.7
57.07064	4.2
61.02897	2.6
67.05508	45.3
69.03432	5.4
69.07078	26.1
71.04987	6.7
71.08580	3.3
71.57169	3.8
79.05060	3.8
79.05498	47.7
81.03419	4.7
81.07062	88.5
83.04993	12.0
83.08607	9.3
85.02890	4.5
85.06535	2.8
91.03964	3.3
91.05482	32.8
93.07061	44.8
95.04996	12.2
95.08609	33.6
97.06530	11.6
97.10174	7.0
103.41623	2.7
105.07044	47.5
107.04955	13.1
107.08609	33.4
109.06535	29.4
109.10175	16.1
117.07043	14.8
119.08578	29.0
121.06511	12.6
121.10139	15.4
123.08083	12.2
123.11724	4.9
125.09599	5.4
129.07001	6.7
131.08595	25.4
133.06473	3.3
133.10138	25.6
135.08076	6.4
135.11717	9.6
137.05972	3.4
137.09605	6.4
141.06999	3.9
143.08577	6.7
145.06477	4.2
145.10118	22.5
147.08069	3.4
147.11713	23.3
149.09621	10.6
149.13257	6.9
151.11136	8.2
155.08534	4.0
157.10048	3.2
159.08070	4.1
159.11699	13.9
161.09616	5.8
161.13257	6.3
163.11206	12.0
165.05618	3.1
165.12772	4.8
169.10178	4.2
171.11722	4.5
173.09654	5.0
173.13280	9.2
175.11130	3.8
177.12688	4.4
179.14282	2.9
183.11655	4.2
185.13231	2.9
187.14989	3.3
191.14282	3.7
191.33713	2.8
197.13336	3.7
203.14343	2.5
207.13821	5.3
215.17740	3.6
229.19582	5.6
231.17513	3.0
239.17902	6.4
247.20605	7.0
255.08981	2.8
257.19034	17.4
275.20078	100.0
276.20212	2.9
293.20935	6.9
331.22678	5.0
349.16245	6.2
349.24051	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	349.0894
Annotation	Pibocin B
Peak:m/z	Relative Intensity
50.42877	0.6
57.03437	1.0
58.99588	1.8
69.03448	1.0
69.07067	0.8
69.78548	4.6
70.06586	2.7
71.05020	0.9
76.02251	0.9
77.00914	1.5
77.60892	0.8
79.05489	1.1
79.22925	0.8
81.07063	7.7
84.04510	7.4
84.88750	0.7
85.02910	1.2
86.00628	0.8
86.09702	2.0
86.99070	1.4
87.02702	3.7
91.05495	1.0
94.72898	0.9
95.01936	1.9
95.04992	0.9
97.02962	0.7
100.02205	5.8
101.00906	0.8
105.00104	2.7
107.04954	6.3
109.02862	0.9
113.00933	1.1
113.04269	0.8
119.01929	2.4
119.04958	2.5
122.02744	6.1
123.04459	2.6
127.03938	1.0
130.04987	1.2
131.01944	3.1
131.04959	2.0
132.01181	1.8
132.04483	1.0
138.07887	4.9
143.04944	0.9
145.03412	0.9
145.06560	0.8
146.02731	10.2
147.04433	9.2
155.01936	1.5
159.04730	1.8
171.04411	1.8
173.03040	1.8
185.04294	3.4
187.03688	8.4
189.05511	3.9
197.07410	0.8
197.20602	0.7
198.05499	1.0
202.08954	8.2
203.07373	1.9
205.03497	1.6
205.06483	1.2
209.09395	0.7
220.10126	1.1
223.04590	2.9
228.10223	15.7
229.03514	2.0
234.06767	1.7
243.08069	8.2
247.04535	9.1
250.08714	1.1
251.09514	0.8
259.04578	3.2
265.05606	7.9
277.05655	1.1
283.06750	0.8
286.06247	7.5
289.05670	3.0
295.06628	0.9
301.05405	1.0
307.06696	3.2
325.07901	0.8
331.08618	2.2
331.12546	0.8
332.07043	1.3
349.08966	100.0
350.09351	1.7
357.58157	0.8
367.08676	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	348.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
53.80193	1.7
56.96548	2.0
57.03440	4.0
61.02932	10.0
68.37577	2.0
69.03437	21.4
69.86447	10.6
71.05000	2.2
73.02927	2.9
81.03409	8.0
85.02911	100.0
87.04480	3.4
91.03960	4.6
97.02900	30.9
99.04459	6.5
105.36472	2.1
109.02882	8.1
123.04442	94.8
127.03931	20.2
145.04971	38.8
147.04424	6.8
148.04742	2.2
158.13969	1.9
163.06004	3.9
165.05515	1.9
169.04999	28.8
180.08673	7.0
186.07634	5.4
186.11301	2.2
225.40906	2.1
268.93097	2.1
348.13437	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	348.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.9
53.35541	4.6
55.01862	4.9
56.96560	14.4
61.02918	7.5
65.03928	15.0
69.03436	17.2
70.11847	8.7
70.12243	9.7
71.08507	4.2
72.31987	4.4
74.25797	4.2
81.03423	10.5
85.02911	61.0
93.03409	15.7
97.02890	18.1
98.20950	8.4
98.97601	7.0
109.02887	5.3
110.03683	5.7
111.04449	42.4
119.04962	11.3
123.04466	33.5
123.33515	4.1
125.06027	35.6
127.03927	11.9
136.06190	7.4
145.04973	18.5
147.04408	25.3
151.03929	18.0
156.25790	4.0
169.04985	100.0
186.05836	4.6
239.02229	11.6
257.03293	8.5
348.13742	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	347.2219
Annotation	Algestone
Peak:m/z	Relative Intensity
53.03946	2.7
55.01860	5.9
55.05515	16.3
57.03437	7.5
57.07073	4.5
59.04989	3.3
60.56420	3.3
61.02912	5.3
62.27097	2.7
67.05510	16.5
69.03440	16.8
69.07073	16.9
70.30288	4.2
70.30641	10.4
70.78983	2.5
71.05000	19.5
73.02905	3.0
79.05486	12.7
81.03415	11.6
81.07071	30.1
83.00358	2.6
83.04964	3.7
83.08617	5.8
83.19768	2.7
84.88303	2.6
85.02888	7.1
87.04420	3.3
91.05495	18.6
93.07061	27.4
94.94745	2.8
95.04964	12.5
95.08611	33.2
96.48464	2.6
97.02897	8.0
97.06541	5.6
97.10107	3.4
99.08057	3.6
103.03925	4.8
105.07038	41.5
106.32982	2.6
107.04961	4.0
107.08604	27.4
109.06535	7.8
109.10152	19.4
110.53216	2.7
111.04448	4.0
111.15800	3.0
115.03917	7.9
115.05483	3.5
117.07005	9.3
119.04973	3.6
119.08589	41.9
121.06492	10.1
121.10155	17.0
123.04473	4.4
123.08049	8.4
123.11707	7.0
123.88615	2.8
125.09611	5.5
127.03948	4.4
127.11212	3.1
128.06245	5.3
129.06985	13.1
131.07843	2.9
131.08603	28.5
133.06441	5.3
133.10143	18.0
135.08105	5.7
135.11693	8.1
137.09637	6.6
141.06999	4.2
142.07776	13.2
143.08601	26.3
143.10707	2.7
145.06491	8.0
145.10146	35.3
147.08049	11.3
147.11688	15.3
149.09642	6.9
149.13293	4.5
151.07570	3.8
155.08559	14.6
156.09348	6.7
157.10139	36.9
158.10919	4.1
159.08073	13.5
159.11693	27.4
161.09589	8.7
161.13243	10.3
165.07018	3.7
165.09068	3.1
169.10146	15.0
170.10942	4.4
171.08131	5.9
171.11685	30.8
173.09637	13.0
173.13303	19.4
175.11201	7.7
175.14825	7.3
177.09067	5.7
179.08539	6.5
181.10158	8.3
183.08142	4.1
183.11708	21.4
185.09624	7.7
185.13257	13.1
187.11205	8.6
187.14841	5.1
189.09106	8.8
189.12737	5.1
189.16435	4.6
192.09369	4.0
195.11708	10.0
197.09608	3.4
197.13367	15.8
199.11172	5.4
199.14931	3.8
201.12775	14.7
201.16422	9.9
203.17802	3.3
207.10085	3.4
207.11739	7.6
208.12451	3.5
209.13287	6.6
211.11156	4.1
211.14723	6.0
213.12747	14.7
213.16405	11.9
215.14243	4.7
215.17963	8.6
217.15948	3.4
223.14822	7.7
225.12762	18.9
225.16351	5.0
227.14381	5.7
227.17993	4.7
229.15866	5.5
229.19545	5.4
231.13913	5.1
231.17412	11.2
239.14294	4.9
239.18097	5.6
241.15846	10.0
243.13818	16.8
243.17548	7.3
245.19009	4.7
251.17810	3.4
255.17577	4.6
257.15485	3.5
257.19028	10.3
259.17053	4.8
261.14886	15.2
265.34839	3.1
269.15677	2.9
269.19055	9.4
283.20575	4.9
287.20093	7.6
293.18976	5.1
299.20062	11.7
300.45181	3.3
301.09723	6.9
301.21512	7.6
311.20081	21.9
317.20993	4.5
329.21140	55.6
347.22186	100.0
348.22574	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1237
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
52.17941	0.7
55.01889	4.0
55.05510	0.9
58.81787	0.8
61.97377	0.8
67.05497	1.6
70.09669	3.2
79.05484	0.9
85.02921	0.7
87.11419	0.8
91.05482	1.0
93.07028	0.9
95.04959	1.0
95.08614	1.1
107.08614	1.1
108.04472	1.0
110.06050	0.9
111.04449	2.4
124.41501	0.8
138.05476	2.1
138.09056	0.8
145.10155	0.9
148.07556	1.1
152.03448	1.7
154.06578	0.9
160.03973	1.2
162.05524	0.9
164.07098	1.2
168.06712	1.0
171.09126	0.8
172.07536	1.0
176.07066	1.6
178.05017	2.4
182.09740	0.9
185.07135	3.3
186.09262	1.2
187.04984	2.1
197.07146	1.5
199.08670	5.2
200.07039	1.1
201.06653	3.1
205.06087	1.4
209.07162	1.2
209.10753	0.8
211.08655	2.6
213.06693	5.7
213.10204	4.5
215.08087	1.1
215.11787	1.2
227.08223	7.2
227.11794	3.3
229.09770	2.5
231.07663	4.4
231.11409	1.0
237.10211	2.6
238.08636	2.2
239.08142	2.0
241.09752	6.5
243.07481	0.9
245.09169	1.7
246.07701	1.0
250.07460	1.1
251.08174	1.0
255.07649	11.3
255.11272	7.2
256.10190	0.9
257.09238	3.0
257.12961	1.6
259.07202	1.8
259.10916	1.2
265.09756	4.7
267.07758	2.4
269.09244	9.7
273.08725	5.0
273.12219	0.9
275.10400	1.0
275.13968	0.9
283.07480	1.5
283.10760	20.4
286.11874	2.0
287.10196	5.5
293.09180	5.8
301.11826	5.3
305.11603	1.4
306.09747	1.2
311.10294	39.5
319.12927	2.8
329.11331	68.7
330.11548	2.4
347.12411	100.0
347.16428	6.1
348.12915	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
54.06139	0.9
55.05513	5.4
60.04520	4.7
61.02922	1.1
69.03428	3.5
71.55980	1.3
72.08162	100.0
81.03423	2.5
83.06119	2.6
85.02908	10.1
86.06020	1.0
86.09723	2.3
87.05621	1.4
91.73035	0.9
97.02891	5.3
109.02886	2.2
113.07161	1.1
114.09190	1.5
123.04449	2.3
124.07601	1.2
127.03916	1.8
131.08174	3.5
139.03912	54.3
141.06560	2.0
141.10228	1.6
145.05034	2.3
147.04388	5.0
148.04742	1.6
153.05492	1.2
159.07697	4.0
159.11301	9.0
163.03900	2.2
168.72878	0.9
169.09726	1.1
173.05954	1.4
177.05412	1.5
182.22139	1.0
185.04500	11.5
187.10825	3.8
189.12372	17.4
212.14009	2.1
240.13396	11.9
327.03271	0.9
347.09302	2.0
347.13184	3.3
347.16693	2.7
364.79523	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.7
55.01860	5.9
55.05515	16.3
57.03437	7.5
57.07073	4.5
59.04989	3.3
60.56420	3.3
61.02912	5.3
62.27097	2.7
67.05510	16.5
69.03440	16.8
69.07073	16.9
70.30288	4.2
70.30641	10.4
70.78983	2.5
71.05000	19.5
73.02905	3.0
79.05486	12.7
81.03415	11.6
81.07071	30.1
83.00358	2.6
83.04964	3.7
83.08617	5.8
83.19768	2.7
84.88303	2.6
85.02888	7.1
87.04420	3.3
91.05495	18.6
93.07061	27.4
94.94745	2.8
95.04964	12.5
95.08611	33.2
96.48464	2.6
97.02897	8.0
97.06541	5.6
97.10107	3.4
99.08057	3.6
103.03925	4.8
105.07038	41.5
106.32982	2.6
107.04961	4.0
107.08604	27.4
109.06535	7.8
109.10152	19.4
110.53216	2.7
111.04448	4.0
111.15800	3.0
115.03917	7.9
115.05483	3.5
117.07005	9.3
119.04973	3.6
119.08589	41.9
121.06492	10.1
121.10155	17.0
123.04473	4.4
123.08049	8.4
123.11707	7.0
123.88615	2.8
125.09611	5.5
127.03948	4.4
127.11212	3.1
128.06245	5.3
129.06985	13.1
131.07843	2.9
131.08603	28.5
133.06441	5.3
133.10143	18.0
135.08105	5.7
135.11693	8.1
137.09637	6.6
141.06999	4.2
142.07776	13.2
143.08601	26.3
143.10707	2.7
145.06491	8.0
145.10146	35.3
147.08049	11.3
147.11688	15.3
149.09642	6.9
149.13293	4.5
151.07570	3.8
155.08559	14.6
156.09348	6.7
157.10139	36.9
158.10919	4.1
159.08073	13.5
159.11693	27.4
161.09589	8.7
161.13243	10.3
165.07018	3.7
165.09068	3.1
169.10146	15.0
170.10942	4.4
171.08131	5.9
171.11685	30.8
173.09637	13.0
173.13303	19.4
175.11201	7.7
175.14825	7.3
177.09067	5.7
179.08539	6.5
181.10158	8.3
183.08142	4.1
183.11708	21.4
185.09624	7.7
185.13257	13.1
187.11205	8.6
187.14841	5.1
189.09106	8.8
189.12737	5.1
189.16435	4.6
192.09369	4.0
195.11708	10.0
197.09608	3.4
197.13367	15.8
199.11172	5.4
199.14931	3.8
201.12775	14.7
201.16422	9.9
203.17802	3.3
207.10085	3.4
207.11739	7.6
208.12451	3.5
209.13287	6.6
211.11156	4.1
211.14723	6.0
213.12747	14.7
213.16405	11.9
215.14243	4.7
215.17963	8.6
217.15948	3.4
223.14822	7.7
225.12762	18.9
225.16351	5.0
227.14381	5.7
227.17993	4.7
229.15866	5.5
229.19545	5.4
231.13913	5.1
231.17412	11.2
239.14294	4.9
239.18097	5.6
241.15846	10.0
243.13818	16.8
243.17548	7.3
245.19009	4.7
251.17810	3.4
255.17577	4.6
257.15485	3.5
257.19028	10.3
259.17053	4.8
261.14886	15.2
265.34839	3.1
269.15677	2.9
269.19055	9.4
283.20575	4.9
287.20093	7.6
293.18976	5.1
299.20062	11.7
300.45181	3.3
301.09723	6.9
301.21512	7.6
311.20081	21.9
317.20993	4.5
329.21140	55.6
347.22186	100.0
348.22574	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	346.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.5
55.01862	3.2
55.05497	2.4
57.03431	4.3
61.02930	9.2
62.68543	1.7
64.14452	1.6
69.03430	19.7
70.06591	12.8
70.53625	5.7
71.05007	3.6
72.08146	2.7
73.02924	3.6
79.05499	5.2
81.03399	6.0
85.02911	100.0
86.05558	1.7
86.09708	15.8
91.03963	5.7
91.05466	4.4
93.07028	2.7
95.04971	2.2
97.02891	26.3
99.04443	5.9
103.05463	11.2
107.04953	5.7
107.08599	2.1
109.02888	8.0
110.19122	2.1
116.07101	10.1
119.04946	2.0
121.06515	76.7
122.02750	2.5
124.07562	2.6
127.03076	2.4
127.03947	25.0
130.04973	1.8
131.04915	2.4
135.04425	3.5
137.05974	5.0
139.07512	2.6
145.04965	38.7
147.04407	6.3
149.06006	8.8
163.06029	7.1
167.07083	8.6
171.02016	3.0
186.72527	2.2
189.12712	3.7
193.04919	2.1
196.70569	1.9
197.20244	2.0
207.13846	1.8
222.09390	1.9
223.07582	1.9
287.05377	2.2
328.10095	2.4
329.08347	3.9
341.11401	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.7
55.01862	4.0
56.96588	2.0
57.03418	5.2
59.53957	1.4
60.06851	1.3
61.02933	9.2
69.03135	1.9
69.03436	21.7
69.69802	8.9
70.06589	5.2
71.04996	3.2
72.08144	2.6
73.02916	3.1
74.03653	1.3
79.05480	4.3
81.03406	7.2
83.04916	1.5
85.02909	100.0
86.09707	6.4
87.04440	1.7
91.03953	5.6
91.05470	2.3
93.07071	2.8
94.13769	1.7
95.08588	1.8
97.02892	27.0
99.04439	6.0
103.05460	11.4
107.04958	4.8
108.08123	2.1
109.02863	8.3
109.10204	1.5
111.81972	1.6
116.07089	2.0
119.04970	2.0
121.06512	68.8
122.45239	1.5
124.07554	1.9
127.03917	22.8
131.04892	3.4
137.05975	3.9
145.04968	46.4
147.04443	5.0
149.05962	6.1
163.06009	6.6
167.07045	8.2
178.05002	2.6
181.64899	1.5
214.87517	1.9
230.73070	1.6
269.14813	1.6
287.05524	3.0
301.08963	3.2
302.11993	2.0
318.18182	4.1
328.10175	1.8
329.08322	4.2
346.11124	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	347.119
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96574	2.4
69.03432	1.3
69.80689	2.8
70.99847	0.7
72.08148	0.8
77.00928	0.6
82.99879	2.0
84.04519	1.8
84.96070	0.6
85.02919	2.3
91.05480	1.1
96.04524	0.6
97.02902	1.3
98.06047	0.8
98.21423	0.7
98.97582	2.4
100.97427	0.6
101.00888	13.8
102.23512	0.6
103.02473	0.6
112.07589	0.8
115.03963	0.6
116.98638	1.1
119.01933	25.6
119.04955	1.7
122.53726	0.5
123.04432	0.7
126.05521	0.8
127.03905	0.6
131.01913	2.5
133.03648	0.6
137.02975	1.7
138.05530	2.1
139.03925	0.7
142.03545	0.7
143.01912	77.8
144.01997	1.3
145.03444	0.9
147.04433	4.9
148.04826	1.3
155.01907	1.6
156.03319	1.6
157.03519	1.1
161.02971	100.0
162.03114	2.3
163.03864	1.4
168.06624	0.6
168.96408	0.5
173.03015	2.0
174.04442	1.1
175.04584	2.4
184.04649	3.3
184.77187	0.6
185.06552	1.2
186.04367	1.7
187.04607	0.8
197.06644	1.4
203.04030	46.6
204.05533	1.5
207.95280	0.5
209.06537	0.9
211.08101	0.6
219.01819	0.6
221.02951	3.9
221.05084	2.7
227.07709	3.0
237.00858	1.4
237.02831	0.7
237.06122	0.6
239.03983	0.7
243.01634	1.0
263.06201	1.5
287.09717	10.3
301.11102	0.7
305.10913	1.0
347.08038	0.8
347.11758	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	344.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85643	3.9
55.01868	5.4
55.05484	3.2
62.47518	3.4
69.03422	14.1
71.56754	4.4
71.90296	3.3
72.16503	3.2
76.91426	3.8
79.05486	10.4
81.07059	9.5
81.71790	3.6
86.06056	15.3
91.05471	8.2
93.07054	3.4
98.09713	3.7
99.04485	16.9
99.05061	4.0
105.07003	7.9
107.08561	5.3
115.05447	15.8
116.10748	20.3
117.07001	3.4
119.08604	4.3
125.06008	15.4
128.06348	3.4
129.07014	72.6
131.08598	5.5
133.06485	13.6
147.13812	3.4
157.10149	100.0
158.85298	3.6
161.06003	14.6
167.08580	9.7
175.11212	12.1
185.09627	74.0
192.03926	3.3
203.10686	77.3
213.09091	31.8
220.92856	3.8
221.11707	11.8
231.10187	16.2
246.44539	3.4
249.11250	47.3
270.93091	3.2
277.10687	7.6
295.11774	45.4
308.07474	12.6
326.08444	4.4
344.24371	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	345.1159
Annotation	Clotrimazole
Peak:m/z	Relative Intensity
65.61057	1.1
66.47320	1.3
69.03432	2.1
71.55710	1.5
78.80388	1.2
81.03402	3.0
85.02917	3.0
86.09689	2.0
91.05492	3.2
93.07050	2.5
97.02907	2.8
97.10207	1.2
101.00897	1.6
103.05484	1.4
105.07029	1.7
107.08640	1.7
109.02937	1.6
109.06528	2.0
111.04444	4.0
119.01915	7.1
122.03683	1.9
123.04387	2.2
123.08022	1.5
131.01932	2.3
132.89842	1.5
137.02367	3.1
137.05986	25.7
137.09587	2.4
138.83220	1.4
145.03404	2.4
147.04445	3.5
155.01837	2.3
161.02988	2.1
161.06003	3.5
165.09120	2.8
165.12778	1.3
175.07494	1.5
183.10135	5.3
191.03430	2.7
199.08144	2.0
203.04099	2.0
211.07674	1.5
259.11630	2.3
273.75345	1.4
277.11426	4.2
285.11188	2.9
295.12515	2.1
299.10187	1.9
300.08826	1.3
301.12607	17.8
307.80209	1.2
307.93466	1.3
345.06137	10.6
345.11523	100.0
362.63553	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2428
Annotation	7-deacetoxyyanuthone
Peak:m/z	Relative Intensity
51.14820	5.9
55.05521	13.5
57.07081	7.9
67.05517	79.6
68.99796	9.6
69.07076	19.5
69.54935	20.3
69.55344	20.0
79.05498	19.0
81.07072	100.0
83.04993	8.3
83.08611	11.3
91.05506	11.6
93.07059	19.6
95.08620	97.3
97.06545	11.3
105.07026	10.5
107.08610	16.1
109.10151	48.1
111.00820	17.6
121.10145	10.6
123.11726	24.7
127.03902	8.7
129.07124	7.9
131.08578	10.6
133.10246	6.3
135.11691	11.8
137.13213	14.8
139.03900	17.9
195.10202	15.1
209.11760	12.6
223.13332	16.9
231.48944	5.8
237.14964	17.1
249.14832	7.5
251.16556	11.4
263.16464	11.1
265.18134	6.2
289.18033	12.5
345.20786	9.4
345.24371	72.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.3001
Annotation	Aggreceride C
Peak:m/z	Relative Intensity
55.05518	14.3
57.03429	8.3
57.07082	100.0
58.55254	3.0
65.64473	3.0
67.05514	31.8
69.07077	18.6
70.96881	5.5
70.97194	3.1
71.08640	81.5
74.18665	2.8
75.04488	3.5
75.96532	2.4
79.05516	3.1
79.91120	2.4
81.06639	4.1
81.07070	43.6
82.55672	2.6
83.08633	29.9
85.10192	33.3
91.05490	3.6
95.08613	65.2
97.10179	22.2
99.11742	5.1
109.10163	29.2
111.11736	6.2
123.11710	14.4
127.99216	2.9
130.49387	2.7
137.13312	3.5
150.43198	3.1
151.14891	3.9
235.24164	6.9
253.25276	18.6
271.26364	7.4
327.28949	71.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	15.5
56.11538	5.4
57.03444	7.1
57.07080	100.0
67.05494	36.0
69.07061	17.3
71.08638	61.4
81.07069	33.3
83.08614	24.4
85.10183	34.4
89.80833	5.1
90.08834	4.8
95.08604	50.4
97.10174	24.4
98.20787	10.7
105.07014	7.3
109.10159	38.7
111.11655	8.4
123.11684	11.7
137.13184	5.7
141.83929	5.1
167.03520	5.1
173.13239	6.0
253.25204	16.7
307.04886	5.7
327.28946	53.8
328.78116	6.9
334.30545	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	344.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98570	0.5
57.03433	0.8
61.02924	1.7
69.03429	3.4
69.87286	3.4
73.02905	0.6
80.01894	0.5
81.03408	1.6
85.02422	1.1
85.02911	15.0
91.03963	0.7
91.05488	6.3
97.02919	3.4
98.21223	1.6
98.74969	0.6
99.04438	0.6
103.05470	0.6
109.02857	1.9
119.04953	18.5
123.04428	3.3
127.03929	2.5
145.05005	3.7
147.04419	100.0
148.04800	1.4
165.05489	60.1
166.05865	0.6
180.08682	1.2
182.08131	0.7
190.16518	0.6
203.71440	0.6
208.30481	0.5
344.13660	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34419	0.6
53.03957	0.6
55.01851	0.6
56.96544	0.9
57.03443	2.2
60.04521	1.7
61.02931	3.1
67.22755	0.7
69.03433	7.1
71.04993	1.0
71.42561	0.8
73.02921	1.6
74.32595	0.5
79.10132	0.6
79.41120	0.6
81.03431	3.5
83.01294	0.7
85.02910	19.4
85.03423	1.3
87.04465	1.2
87.28892	0.6
91.05489	15.5
93.98447	0.6
95.04961	0.8
96.04507	2.3
97.02893	5.9
99.04443	0.8
103.05463	1.2
107.04990	0.6
109.02853	1.3
119.04950	40.3
121.06554	0.7
123.04408	3.5
127.03945	3.4
136.07587	91.7
137.07959	1.0
143.41263	0.6
145.04956	3.7
147.04430	3.9
148.07632	0.9
159.70006	0.8
160.07500	0.8
163.03914	0.7
164.07043	2.5
165.05487	8.6
178.08688	1.8
182.08138	100.0
183.08386	1.0
224.09184	4.1
275.77881	0.6
281.06882	0.7
285.45810	0.6
308.11191	2.2
326.12256	1.5
344.13223	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.01855	0.9
56.11688	0.6
56.96570	2.0
57.03438	1.7
60.04525	2.1
61.02935	3.7
65.03941	0.6
69.03436	9.1
70.41637	0.6
70.41994	1.8
71.05002	0.7
73.02918	1.7
74.64417	0.5
79.05489	0.7
81.03430	4.1
85.02913	24.1
87.04469	1.3
89.03918	2.8
91.03944	0.9
91.05486	19.3
91.18304	0.6
95.05013	1.1
96.04499	1.7
97.02895	9.2
98.97581	2.3
99.04459	1.1
103.05516	0.9
107.04948	2.0
108.04492	0.7
108.08131	0.6
109.02923	2.7
116.98649	1.3
117.03414	1.1
118.06508	0.6
119.04952	45.0
121.06511	1.6
123.04432	5.1
127.03930	4.2
131.01965	0.6
135.04443	2.8
136.07588	94.1
137.07896	1.0
145.02859	1.6
145.04955	4.4
147.04430	12.3
148.04739	1.5
162.07668	0.8
163.03920	10.8
164.01712	0.7
164.04276	1.6
164.05756	1.1
164.07001	4.2
165.05486	8.1
167.99371	0.5
169.13460	0.5
178.08667	2.1
182.04736	5.7
182.08142	100.0
182.94412	0.6
183.08450	1.0
196.05016	0.6
201.00775	0.6
209.02971	0.7
210.03201	0.9
219.01949	0.9
220.02251	0.7
221.03062	0.6
222.03076	1.0
223.07707	0.7
224.09151	3.6
236.10829	1.1
257.05145	0.9
258.05579	2.7
260.09012	0.8
262.05481	1.0
263.05869	4.7
265.08710	0.7
280.06732	0.9
281.06781	4.9
282.11221	1.4
308.11185	2.0
326.12357	1.9
328.11719	1.7
344.13586	3.6
362.05896	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57820	3.6
53.03951	5.6
55.01851	5.6
55.05511	56.8
55.76345	3.4
57.03423	16.1
57.07077	39.4
60.50267	3.4
65.03953	3.8
67.05505	75.0
69.07070	81.4
69.82812	21.0
71.04986	4.7
71.08632	23.6
77.71736	3.5
79.05496	55.3
81.07059	100.0
83.04957	6.9
83.08620	52.5
84.56089	3.5
85.10185	11.1
91.05463	8.3
93.07051	63.6
95.04973	8.3
95.08612	84.4
97.06524	28.8
97.10168	38.6
103.03991	5.7
105.07039	9.7
107.08592	42.1
109.10155	50.7
111.08082	13.4
111.11707	10.3
119.08542	6.4
121.10146	86.2
123.11688	13.6
125.09613	8.9
129.05453	8.5
133.10104	6.7
135.11700	57.8
137.13248	13.3
139.11169	5.9
145.10202	3.9
149.13258	27.4
151.14801	16.0
153.12753	4.5
163.14821	12.0
177.16376	10.1
195.17574	3.9
233.22623	78.8
240.23283	8.3
251.23720	71.3
269.24661	7.3
281.20840	3.9
325.27386	41.8
343.19232	8.0
343.22971	5.2
343.28482	5.8
359.33185	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	343.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.3
55.01863	7.1
55.05515	72.4
55.91225	2.0
57.03442	30.2
57.06831	2.3
57.07083	35.0
59.04977	3.2
65.03905	3.7
67.05167	3.4
67.05506	41.3
69.03416	4.4
69.07072	81.5
69.36967	10.9
69.37389	7.6
71.05003	11.3
71.08335	2.1
71.08641	23.8
79.05505	20.7
80.47388	2.4
81.07064	48.5
81.34465	2.0
83.04951	4.8
83.08621	53.5
83.09106	3.9
85.06519	3.6
85.10184	10.8
87.04472	2.6
91.05475	14.2
93.07053	43.2
95.04962	17.9
95.08612	56.6
97.06544	19.4
97.10175	34.1
98.20718	4.3
99.08051	2.9
101.06022	2.9
105.07036	30.8
107.04974	2.3
107.08603	32.1
109.06516	3.2
109.10167	19.5
111.08098	13.0
111.11716	9.8
114.49854	2.3
115.07547	4.4
117.07017	8.1
119.08585	7.8
121.06485	5.5
121.10140	27.8
123.08040	6.1
123.11714	8.9
125.09638	10.0
128.06200	2.5
129.09138	4.5
130.07745	5.5
131.08611	3.3
133.06476	2.8
133.10141	4.8
135.08055	8.2
135.11714	22.6
137.13223	2.3
139.11163	9.0
143.08504	5.6
143.10722	2.2
145.10147	21.8
147.07982	3.6
149.13220	10.4
151.07550	13.6
153.12721	4.7
159.11714	2.4
161.09647	3.3
163.11217	18.8
163.14819	7.8
165.09087	4.3
167.14244	7.2
177.16425	4.4
181.15892	4.4
189.12695	3.7
191.17917	3.6
195.17497	3.7
203.14337	4.1
209.19073	3.5
221.15372	7.6
229.02809	2.3
233.22691	10.0
240.23276	5.3
251.23726	13.9
252.31934	2.2
263.16397	3.9
325.21478	5.4
325.27359	16.3
343.18961	4.5
343.22662	33.7
343.28403	100.0
349.31274	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	343.227
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
51.91351	1.8
53.03941	6.8
55.01856	5.4
55.05513	20.2
56.75906	1.9
57.03444	10.6
57.07076	10.7
59.04999	5.2
65.03925	3.1
67.05507	32.0
69.03434	10.9
69.07069	9.1
69.41455	13.5
71.04996	20.1
79.05490	29.9
81.03408	3.8
81.07062	32.0
83.04995	10.1
83.08593	3.1
85.06532	4.7
90.13771	2.0
91.05481	42.5
93.07049	77.6
95.04377	2.7
95.04977	59.6
95.08611	88.3
97.06545	18.1
103.05460	4.3
105.07037	88.0
107.04996	4.6
107.08601	61.2
108.73093	2.1
109.06532	21.9
109.10129	5.5
111.08080	2.4
115.05449	8.8
117.06219	2.4
117.07024	30.8
119.08585	33.8
121.06526	18.1
121.10145	17.3
122.07291	2.5
123.08076	28.2
125.06019	3.4
126.23072	2.3
128.06200	2.9
129.07002	9.1
130.07787	18.9
131.08557	9.9
133.06465	5.9
133.10129	22.4
135.08058	25.6
135.11700	12.7
137.05952	2.5
137.09586	5.9
141.07053	2.1
142.07756	3.1
143.08553	14.7
144.09300	2.4
145.06509	3.6
145.10135	100.0
147.08073	17.3
147.11699	6.2
149.09608	9.4
151.07553	56.1
153.09053	2.9
155.08640	2.2
155.10634	2.3
156.09323	4.7
157.10132	10.8
159.08037	5.8
159.11700	11.1
161.09633	10.4
161.13278	5.3
163.11198	70.1
165.06972	2.2
165.09128	21.5
169.10112	7.1
171.11705	8.2
173.09700	4.1
173.13210	4.0
175.11198	6.1
177.09102	6.2
179.07050	4.9
179.08527	2.4
179.10606	2.3
181.10141	2.9
181.12256	2.7
182.70775	2.0
183.11684	2.8
185.09648	3.6
185.13292	4.0
187.11201	7.3
189.12717	12.9
191.14352	3.9
193.10197	2.9
195.11719	4.9
197.13304	6.5
199.11195	3.8
201.12701	2.4
203.14301	10.1
206.30363	2.1
207.10106	3.6
207.11940	3.4
207.13852	7.1
209.13373	4.0
209.15320	3.4
215.14299	4.5
217.12195	3.0
221.15367	37.8
223.14821	4.0
225.12811	2.2
233.15355	4.7
240.23267	5.9
241.15834	3.7
243.13841	2.4
245.15564	2.6
263.16425	6.9
269.15372	3.9
286.19290	6.2
287.16559	2.9
307.20468	3.0
325.21719	16.9
343.15903	3.7
343.22687	93.1
344.23169	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	343.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.2
55.05516	42.4
57.03453	22.8
57.07078	32.8
62.41944	2.9
67.05509	42.2
69.03410	3.8
69.06723	4.6
69.07071	67.1
71.04996	5.5
71.08643	18.1
71.32223	5.7
73.06573	3.0
79.05487	22.2
81.07055	54.9
83.04968	6.8
83.08624	43.6
83.32495	3.1
85.06564	4.0
85.10172	6.9
91.05473	8.0
93.07050	37.1
95.08609	53.8
97.06544	22.9
97.10179	23.5
98.90025	3.0
105.07027	5.0
107.08602	20.8
109.10151	29.5
110.64345	3.0
111.08080	14.7
111.11715	4.9
115.07575	3.1
119.08569	5.5
121.10146	28.5
123.11713	15.0
125.09643	10.3
129.08055	2.6
129.09091	6.2
131.85196	2.6
133.10101	6.7
135.11690	30.2
137.09627	4.5
137.13185	3.2
139.11191	8.2
149.13277	15.4
151.11237	4.8
152.19916	2.7
153.12758	8.9
153.39154	2.8
157.12325	3.2
160.32108	3.0
163.14832	6.8
167.14301	4.7
172.45056	3.1
174.75778	3.0
181.15965	4.8
195.13995	3.3
204.34520	2.9
205.19531	25.5
215.17963	4.3
223.20537	19.3
240.23277	5.5
251.20137	10.7
269.21170	5.1
284.08881	2.9
287.22192	74.2
325.23795	10.3
327.57727	2.9
343.24841	100.0
355.93076	3.1
365.67917	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	343.2269
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
51.27075	2.3
53.03946	8.0
55.01871	8.8
55.05260	3.3
55.05513	42.0
55.23136	2.4
56.28558	2.1
57.03445	21.1
57.07078	24.3
57.20331	2.1
59.04996	8.1
67.05170	3.0
67.05509	40.8
69.03454	10.9
69.07072	39.4
69.54027	2.1
70.17989	10.5
71.04991	21.2
71.08625	7.1
77.03941	3.0
79.05501	33.3
80.90019	2.5
81.03426	2.5
81.07063	42.3
83.04980	8.1
83.08610	25.0
85.06537	6.6
85.10185	5.4
91.05479	38.3
93.07053	84.6
93.15022	2.4
95.04974	63.8
95.08612	99.9
97.06541	21.5
97.10167	12.6
103.05467	2.2
105.07037	89.8
107.04964	3.3
107.08598	61.7
109.06532	21.7
109.10172	14.2
111.00777	3.5
111.08099	4.5
111.11732	4.9
115.05450	8.2
116.06279	3.3
117.07031	29.5
119.08588	29.5
121.06513	16.7
121.10172	27.1
122.07314	3.2
123.08073	26.9
125.06013	4.1
125.09669	3.6
125.24794	2.0
128.06229	4.9
129.06985	4.5
130.07793	16.2
131.08591	14.2
133.06505	5.8
133.10129	21.0
135.08080	26.3
135.11694	23.2
137.09677	4.4
139.11180	6.5
142.07777	3.1
143.08548	10.8
145.06512	5.3
145.10132	87.2
147.08057	14.5
147.11716	3.1
149.09639	7.8
149.13298	4.3
151.07558	47.8
153.09079	3.4
153.12700	2.8
155.08568	3.6
157.10175	7.9
159.08081	5.8
159.11673	11.4
159.24510	2.5
161.09634	7.3
161.13231	5.4
163.11198	79.9
163.14894	6.8
165.06880	2.8
165.09126	16.6
167.14401	2.4
169.10112	3.8
171.11731	6.0
173.09666	5.1
173.13304	5.8
175.11301	3.6
177.09114	4.5
179.07060	5.7
181.10068	2.7
181.12273	5.3
183.11699	3.7
187.11179	7.8
189.09050	2.7
189.12778	11.4
191.14262	3.2
191.17880	2.3
197.13373	5.5
203.14317	10.5
207.10088	4.4
207.11896	2.7
207.13779	5.7
209.13321	4.0
209.15292	4.5
221.15346	33.6
233.15309	3.0
233.22595	3.1
240.23250	4.3
241.15877	2.7
243.13766	3.0
251.23726	5.9
259.16879	3.5
263.16431	8.3
269.15308	4.2
286.19315	5.5
287.20105	2.8
307.20441	2.8
325.21616	10.7
325.27390	4.3
343.22708	100.0
343.28412	31.0
344.23035	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1026
Annotation	Chaenorrhinoside
Peak:m/z	Relative Intensity
55.01876	1.5
56.96572	6.1
57.03424	1.0
61.02908	2.6
69.03438	5.5
69.43281	2.3
69.43700	4.8
81.03415	3.2
83.00314	0.9
85.02909	16.2
89.03906	3.0
91.05475	3.7
97.02895	5.8
98.20754	2.0
98.97596	1.3
100.64542	0.9
107.04945	1.7
109.02874	1.9
116.98637	1.1
117.03397	2.0
119.04943	3.9
125.07122	1.1
127.03934	3.9
135.04425	39.1
136.04703	1.0
141.99991	1.1
145.02850	1.2
145.04980	3.5
147.04422	10.7
163.03914	99.4
164.04298	1.5
172.33171	1.0
181.04967	100.0
193.03494	1.2
195.03259	1.1
203.00124	1.3
205.03487	2.2
207.08131	1.0
209.02924	2.2
213.03976	0.9
213.47636	0.8
218.07204	0.9
221.01085	1.1
221.02994	1.2
223.04617	3.2
239.02248	16.3
239.04381	1.6
252.10349	1.8
257.03159	12.0
262.05634	3.6
280.06726	4.6
297.02737	7.9
304.39392	1.0
307.04684	1.5
343.10117	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2268
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
51.20989	2.4
52.60411	2.7
53.03944	5.2
53.83701	2.5
55.01861	8.7
55.05507	14.5
57.03427	10.7
57.07065	10.9
59.04991	7.3
67.05500	26.6
69.03420	10.3
69.07062	13.5
70.62726	7.0
71.05001	21.1
74.32784	2.7
79.05504	26.1
81.03416	5.6
81.07056	30.8
82.59221	2.8
83.04951	3.7
85.06493	3.5
91.05484	35.2
93.07051	67.6
93.53841	3.6
95.04970	61.9
95.08607	97.0
97.06519	23.4
103.05515	4.3
105.07034	89.0
107.04921	5.3
107.08593	58.2
109.06522	18.4
109.10163	6.1
115.05457	9.4
117.07008	29.2
119.06010	3.2
119.08584	31.5
121.06512	15.6
121.10143	17.5
123.08063	28.9
129.06981	9.4
130.07808	17.8
131.08569	11.7
133.10147	14.0
135.08055	34.1
135.11702	14.9
137.06000	3.2
137.09601	7.8
142.07806	3.4
143.08580	12.0
144.09247	2.8
145.10124	94.2
147.08044	16.1
147.11731	5.7
149.09549	4.4
151.07541	48.0
153.09128	3.4
155.08597	3.3
156.09328	3.5
157.10115	8.9
158.10960	3.1
159.08008	4.0
159.11710	11.6
161.09634	11.5
161.13295	5.5
163.07596	3.3
163.11186	64.8
165.09123	23.2
169.10176	3.1
171.11693	5.2
173.09660	5.3
173.13252	6.2
177.09093	5.0
179.07059	3.5
181.12311	4.3
182.10916	4.6
185.09619	3.2
185.13264	4.5
187.11223	7.1
189.12694	13.0
197.13284	4.8
203.14325	13.3
207.13786	7.7
209.13448	4.0
209.15427	6.9
215.14227	3.5
221.15350	32.3
233.15268	4.8
243.48972	2.9
263.16492	9.4
280.12598	3.2
286.19315	6.3
286.41168	3.2
287.16565	4.1
287.19876	3.5
325.21594	13.9
343.22690	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	43.7
67.05497	80.0
69.07078	73.0
71.18187	29.6
72.27084	13.7
79.05492	60.5
81.03422	17.9
81.07063	100.0
83.08620	27.2
83.68767	13.9
91.05476	56.7
93.07059	67.3
95.04948	32.8
95.08017	19.5
95.08580	69.8
97.06545	18.9
98.09727	20.7
103.00926	14.2
105.07025	35.5
107.08591	48.4
109.06525	16.2
109.10110	17.8
117.07012	18.2
119.08566	47.1
121.10171	43.2
131.08575	38.8
133.10149	45.1
135.08086	14.8
135.11720	30.7
137.09564	17.0
143.08574	20.5
145.10139	22.9
147.11671	38.1
159.11679	27.3
165.86041	15.2
181.12210	22.8
212.67690	13.7
239.45929	15.9
275.20157	41.1
342.25110	93.1
342.37225	16.0
344.48468	15.2
352.10391	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	6.9
55.05518	61.3
57.03422	6.7
64.77755	5.0
67.05515	25.7
68.01887	5.4
69.03434	12.4
69.07076	35.5
69.87088	10.8
69.87497	20.6
79.03043	5.2
79.05503	44.4
81.07058	24.5
83.04996	7.4
83.08633	40.3
84.53407	5.5
91.05485	18.8
93.07052	28.1
95.04974	7.5
95.08604	22.4
97.06499	7.9
97.10178	87.3
105.07043	22.1
107.08601	100.0
109.10169	7.0
117.07059	13.5
119.08614	19.7
121.10201	8.4
125.09641	80.0
131.08571	7.7
133.10175	11.2
135.08083	22.9
135.11708	7.5
145.10103	26.4
149.09648	10.6
153.09114	17.9
161.13162	7.2
163.11180	6.3
203.12805	94.4
221.15468	6.0
226.18802	7.3
239.17973	8.0
257.19003	16.0
275.20108	50.8
289.21667	15.4
294.38031	5.3
307.22586	9.4
342.27621	7.2
343.18829	19.9
343.22629	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	343.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	3.4
56.96565	20.1
57.96756	2.9
65.03937	4.4
66.16216	2.7
69.03421	10.0
70.62055	4.7
70.62426	5.2
73.02935	3.1
77.00909	3.3
79.05481	3.7
81.03443	3.0
82.92557	2.4
85.02910	16.3
89.03930	18.8
91.03973	2.6
91.05482	17.6
91.59638	2.5
97.02873	9.2
98.97580	17.6
107.04959	3.9
115.02450	3.1
115.03984	2.8
116.72889	2.2
116.98632	12.5
117.03378	14.3
119.01938	9.9
119.04974	26.4
123.04461	3.8
127.03879	4.4
130.93307	10.9
131.01904	3.7
132.96611	3.4
134.99751	5.0
135.04413	21.8
136.07593	10.2
145.02748	14.0
145.04961	3.2
147.03249	4.4
147.04407	66.1
148.04759	6.1
148.94368	4.0
157.03519	3.8
160.96051	2.5
163.03917	94.7
164.04276	11.8
164.05605	2.9
165.00667	3.1
172.95410	3.5
173.03003	3.7
174.97681	9.0
177.00925	10.4
178.00964	3.1
179.00804	4.0
181.03528	6.0
182.08203	6.2
185.03021	4.9
190.95419	8.5
191.01926	4.4
192.98653	3.4
193.03477	22.6
195.05064	11.3
197.01215	3.1
199.04485	5.0
201.00890	4.7
203.02287	2.9
205.03535	4.0
208.96332	3.7
209.02982	25.7
211.04591	3.8
213.06047	6.9
216.98688	7.9
217.99057	4.2
218.98492	3.2
219.02020	18.4
221.02927	14.7
221.04955	5.7
223.02528	3.2
228.98755	7.8
232.96294	3.8
232.98399	5.1
233.03476	8.5
234.99802	6.6
236.99396	2.9
237.02837	3.9
239.02058	23.4
239.04373	17.2
244.04570	5.3
250.99431	3.9
251.02161	2.7
257.05331	58.8
258.96756	3.2
258.99759	13.0
262.05624	90.3
263.06082	3.2
276.07266	3.3
276.97620	10.7
277.01050	11.5
277.03970	4.1
280.06689	100.0
281.06973	3.4
282.99994	5.8
283.06476	2.9
284.99841	3.5
286.99274	5.8
295.05029	3.0
297.02853	10.3
300.97742	5.6
301.01093	9.8
303.01022	4.2
305.00183	3.1
307.06708	6.0
318.98788	10.6
319.05273	4.7
342.97928	2.9
343.01755	4.8
343.05396	7.0
344.13629	3.7
360.99649	8.7
361.06418	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	342.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.7
57.03441	4.2
57.07079	3.3
58.06590	1.8
64.77407	1.4
68.21548	1.6
69.03433	2.8
71.05013	1.7
71.55635	1.9
73.02901	1.8
78.03515	1.6
79.32072	1.5
81.07056	3.7
82.06563	2.0
85.02909	10.4
91.05810	2.4
92.73896	1.9
93.39061	1.6
97.02872	2.7
99.08069	7.2
100.07624	18.5
107.04962	12.2
108.26404	1.4
109.02863	1.9
109.06537	1.6
111.06708	7.4
112.05077	8.6
117.09134	51.8
120.08107	1.6
123.04438	5.9
125.07153	4.0
127.03935	4.4
127.07530	2.6
131.04868	1.7
133.02856	3.1
133.06558	1.6
135.04456	1.8
137.02417	2.5
143.03154	1.8
145.04979	2.0
147.04434	3.7
148.07582	1.8
149.08250	4.8
150.10313	5.6
151.03856	2.0
151.35674	1.5
162.05508	2.5
163.03929	3.3
163.09694	5.8
165.07899	1.9
166.04982	2.1
175.09851	2.1
175.94395	1.4
179.03407	19.0
180.03790	24.6
180.06567	5.1
187.03952	2.0
193.10870	50.6
210.13509	100.0
250.05800	7.7
278.05295	4.1
285.24026	1.7
296.06329	3.1
296.09476	1.9
342.07108	1.7
342.11655	3.6
342.17697	5.4
343.13715	1.9
360.02765	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
55.05513	5.1
55.67916	0.7
57.03422	0.9
57.07080	6.9
60.92884	0.6
61.02916	2.0
66.84134	0.6
68.79568	0.6
69.03435	7.5
69.22056	1.8
69.22476	5.8
76.65407	0.9
79.05486	3.9
79.18456	0.7
81.03420	2.2
83.08598	2.1
85.02493	0.9
85.02914	9.0
89.06034	17.5
89.78348	0.6
97.02921	3.9
99.04446	1.0
101.09668	8.1
106.06546	1.2
107.07074	21.4
109.02870	1.6
127.03927	3.8
134.06003	1.3
145.04918	1.4
157.16072	0.7
162.05508	7.0
162.56966	0.7
163.13303	52.9
180.06569	100.0
181.06866	1.0
198.07614	0.8
264.08578	1.0
342.11914	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14456	2.1
51.44808	2.2
55.01869	4.0
55.05513	24.0
57.07070	5.2
67.05505	32.3
68.99785	13.9
69.03435	5.1
69.07075	26.9
71.04968	4.4
71.08627	3.8
71.56966	3.9
72.40528	2.7
79.05486	12.6
81.03402	6.9
81.07060	35.1
83.04962	9.7
83.08624	16.1
85.02917	5.7
85.06536	3.5
91.05431	11.5
93.07035	24.2
95.04977	4.6
95.08613	48.9
97.02893	5.8
97.06534	25.3
97.10145	8.0
97.69492	2.5
105.07038	17.6
107.04934	2.9
107.08601	18.4
109.06493	4.1
109.10190	19.0
111.00810	25.7
111.04436	9.7
111.08081	8.9
111.29578	2.5
117.07021	3.6
119.08582	20.4
121.10130	9.5
123.04406	5.0
123.08062	8.6
123.11695	6.3
125.05992	3.5
127.03948	12.5
129.06966	3.8
131.08568	5.0
133.10143	14.2
135.11700	7.6
137.09641	6.8
139.03893	26.5
141.05458	2.3
143.08534	3.4
145.10167	7.2
147.08044	3.3
147.11620	6.3
149.09578	5.4
149.13297	4.5
151.07564	3.0
151.11220	4.5
153.09029	3.2
157.10101	3.8
159.11740	3.5
161.09653	3.6
161.13297	12.2
163.11192	3.1
165.09048	3.3
167.07024	4.1
175.14786	14.0
179.10732	3.1
179.14395	4.3
181.08623	5.3
184.66974	2.4
185.13242	5.0
193.15834	7.9
195.10146	4.8
199.14790	3.3
203.14348	2.5
209.11729	7.8
221.15390	7.9
223.13188	3.7
235.16853	4.0
259.16876	4.5
263.16510	2.9
267.09183	3.0
277.18002	93.2
279.16776	3.6
279.19568	44.6
281.17480	100.0
289.96188	2.5
305.17499	98.6
323.18460	10.7
324.25461	3.5
341.20825	5.2
359.02933	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	341.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01923	2.8
55.01855	3.0
55.05516	39.4
57.07081	49.3
57.11598	2.3
67.05506	20.2
69.07078	100.0
69.23511	25.0
71.08643	34.4
74.68110	2.7
79.05499	8.9
81.07067	45.7
83.08625	63.4
85.06551	8.7
85.10178	15.4
91.05492	8.1
93.07056	14.4
95.08062	3.3
95.08620	46.6
97.06545	7.1
97.10180	44.8
101.06021	3.0
105.07038	15.1
107.08600	19.6
109.06546	5.0
109.10163	31.7
111.08060	6.7
111.11735	26.7
113.09650	2.5
115.07574	7.2
117.90350	2.5
119.08604	12.9
121.10174	13.1
123.08077	7.6
123.11725	13.7
125.09627	3.8
125.13297	14.9
127.07565	7.3
127.22929	3.0
128.30630	3.1
129.09149	4.1
133.10136	15.5
135.11726	16.3
137.09634	6.5
137.13292	6.7
139.11153	4.3
139.14874	4.7
141.09113	3.6
147.11705	13.8
149.13254	10.0
151.11192	9.8
151.14789	3.3
153.12727	5.9
155.10710	2.9
161.13263	12.7
163.14848	7.8
165.12749	10.3
167.14320	3.8
169.12305	3.1
175.14917	5.1
176.80794	2.2
179.14311	10.2
181.15906	3.9
183.13791	3.8
189.16481	3.2
193.15932	5.7
197.15318	4.4
205.19531	3.1
214.08411	2.5
217.19438	4.1
231.21107	3.3
235.20723	3.0
249.22163	3.3
263.27356	5.6
287.27353	7.7
305.28525	5.4
339.95798	3.0
341.21103	4.3
341.26620	8.6
342.37372	9.0
361.19177	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	341.1961
Annotation	Pentamidine
Peak:m/z	Relative Intensity
53.03949	0.6
55.01868	1.0
55.05261	0.5
55.05515	7.4
57.03439	0.4
57.07071	0.8
65.03931	0.5
67.05508	12.6
68.99805	2.4
69.07075	5.9
69.70712	1.3
71.04983	1.2
76.89547	0.2
79.05505	2.5
81.03419	0.7
81.07065	14.1
83.04989	0.8
83.08629	7.8
85.02901	0.3
85.06547	1.0
87.00836	0.5
91.05480	2.3
93.07044	3.4
95.04970	1.1
95.08613	23.7
96.08911	0.4
97.06538	2.3
97.10178	4.7
99.08092	0.5
105.07030	1.7
107.08617	1.9
109.06528	0.4
109.10163	12.6
109.48737	0.3
111.00820	3.4
111.04460	1.3
111.08111	1.8
111.11730	0.6
117.07062	0.3
119.08610	3.1
121.06524	0.4
121.10164	1.2
123.08085	0.9
123.11704	2.1
125.05994	0.5
125.09639	0.6
126.03215	0.3
127.03930	1.5
127.07609	0.4
129.09070	0.3
131.08577	0.5
133.10150	3.9
135.11670	1.2
137.09642	1.8
139.03912	2.4
144.46559	0.3
147.08063	0.3
147.11667	1.8
149.13255	1.6
151.11214	0.8
151.14885	1.5
151.40990	0.3
165.09091	0.3
165.16391	0.4
175.14825	8.5
179.10655	0.5
193.15894	4.3
209.11766	0.3
211.16922	1.9
229.17995	0.9
253.17995	1.9
262.44116	0.3
277.18155	0.5
295.19055	100.0
296.19293	2.3
313.21753	0.3
341.19598	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.5
55.05520	1.6
69.03445	8.5
69.16814	1.8
69.81213	2.0
70.06577	1.7
70.69215	6.6
71.04995	2.5
79.05489	2.5
81.03414	5.2
81.07040	2.4
85.02925	16.3
86.03239	5.6
86.09754	2.3
87.00815	4.5
91.05470	3.1
94.04188	3.7
95.04948	3.9
95.08610	2.3
97.02876	5.1
98.03236	4.7
98.36044	1.7
99.04446	2.1
103.05457	4.3
105.01861	10.2
105.07024	2.9
106.47291	2.0
107.04948	9.0
107.08586	1.8
109.02873	5.3
109.06509	4.2
111.04420	2.8
121.06500	2.3
122.03651	6.8
123.04435	2.1
124.07558	1.8
125.06028	2.6
127.03913	7.8
128.04239	5.2
128.06236	2.9
129.06981	12.1
131.04890	4.2
131.08563	2.9
133.10196	2.2
135.04439	3.1
137.02344	6.0
137.05988	100.0
143.08482	2.5
144.05692	6.5
145.04918	3.0
145.06506	1.8
146.05244	1.7
147.04457	2.1
149.05975	5.7
151.07535	6.5
153.05511	2.7
157.06473	7.8
158.07253	3.9
160.05205	2.7
161.05974	3.2
161.09586	2.6
162.04205	4.1
163.03908	5.5
163.07567	2.1
165.07010	3.0
171.08052	1.9
172.05212	6.9
173.05943	2.0
174.06760	13.9
175.07556	8.3
177.05499	4.2
178.04977	2.5
179.07042	3.5
185.05971	2.1
187.07556	46.3
188.08136	1.9
189.09145	19.9
191.07016	3.3
191.08597	5.4
199.07518	5.6
202.07895	2.8
203.08519	11.9
205.04936	3.1
205.06674	2.1
205.08620	2.2
207.08070	2.8
211.07468	4.2
217.08566	28.9
218.07120	2.5
219.08061	13.5
220.08763	5.9
221.05989	2.5
223.07556	3.4
227.07039	6.6
231.08063	14.3
232.05322	3.1
232.08867	4.3
233.05978	5.5
235.07581	3.2
236.08269	4.3
237.09108	4.5
239.06956	5.2
240.07646	3.0
247.07582	10.2
248.08344	18.6
249.05496	8.4
249.09116	2.7
251.06972	3.1
251.10777	8.3
253.08644	5.3
255.06560	4.8
256.07288	2.8
259.07492	5.6
260.08276	3.6
261.09134	5.6
262.09943	2.7
263.06839	3.4
263.10712	16.3
264.07870	5.5
265.08636	7.0
270.08878	10.0
270.77344	2.2
271.09653	10.8
276.07800	10.9
277.05072	3.8
277.08508	5.3
279.06842	2.5
279.10226	21.4
281.08011	3.3
283.09650	3.1
284.00171	1.8
291.10175	41.0
292.10849	4.7
293.07950	8.5
293.11334	2.1
295.06046	5.9
295.09494	3.3
296.10400	13.4
297.11081	4.1
308.10291	4.0
311.12808	17.4
313.14398	2.2
323.05524	2.3
323.12778	38.8
324.14594	2.4
341.06491	4.5
341.10410	2.9
341.13849	22.3
359.02786	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	341.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.3
56.78516	1.2
60.92555	1.3
69.03413	3.8
69.52245	5.8
69.52648	2.2
70.06585	3.3
71.04978	2.3
79.05485	2.3
81.03410	3.3
81.07050	2.5
81.74400	1.2
83.04973	1.8
83.69064	1.1
85.02914	2.8
85.65557	1.2
89.03882	1.3
91.05388	2.3
93.07054	1.3
93.54852	1.2
94.04193	4.5
95.04950	1.7
97.02896	1.5
98.21310	3.6
101.95654	1.1
103.05493	1.8
105.07037	2.2
107.04949	2.4
109.02877	1.9
109.06515	3.1
111.04422	4.1
111.14360	1.1
115.05489	2.0
119.04944	2.5
121.10120	1.4
122.03635	7.6
123.04392	2.4
125.06014	1.8
127.03931	1.5
128.06207	4.0
129.07010	10.1
131.04977	6.8
131.08553	1.5
133.02846	3.9
134.03717	1.3
135.04483	1.3
137.02348	17.1
137.05984	100.0
138.06285	1.5
141.07030	1.4
143.08524	1.9
144.05655	4.0
145.06451	2.5
147.04424	5.6
149.05992	1.6
151.03839	2.5
151.07524	4.3
153.05444	2.0
157.06497	7.4
158.07286	2.1
160.05161	2.0
160.07591	1.6
161.05931	2.9
163.03879	3.7
165.05559	2.1
165.06969	2.7
167.10663	3.4
171.08073	1.2
172.05229	7.5
173.05965	1.5
174.06758	13.6
175.07607	6.3
177.05438	2.7
177.06952	2.4
177.08681	1.3
178.04994	14.6
179.03427	8.5
179.05322	21.0
179.06908	2.2
181.06557	1.6
187.03914	3.8
187.07555	40.8
189.09109	18.6
190.07904	1.8
191.08545	3.2
193.06354	2.2
195.08160	1.4
197.06200	2.4
197.96410	1.2
199.07539	6.8
202.07756	3.3
203.03395	1.8
203.08551	11.7
203.57535	3.1
205.04056	1.2
205.06409	6.8
207.08012	2.4
208.08809	2.7
211.07556	2.6
217.08588	25.6
218.07260	2.4
219.08101	13.0
220.08842	4.7
221.06033	8.8
221.09521	1.6
222.06624	1.1
223.07550	3.7
225.05527	2.3
227.07022	5.1
231.08064	15.0
232.08795	5.3
232.80173	1.3
233.06001	5.4
233.09509	2.5
234.06775	2.3
235.07533	3.7
235.11128	1.6
236.08286	3.4
237.09137	3.8
239.06992	4.1
240.07907	2.5
241.04797	1.3
247.07567	10.1
248.08360	16.6
249.05525	28.3
249.09099	3.3
250.06180	2.2
251.07091	3.7
251.10591	6.4
253.04878	1.8
253.08629	2.3
255.06612	4.3
259.07629	6.9
260.08328	3.3
261.05389	2.0
261.09171	2.9
263.10712	15.2
264.07950	3.2
264.95688	1.2
265.08545	7.1
266.99762	1.2
267.06537	4.6
268.07178	1.7
270.08862	8.6
271.09601	7.5
276.07828	8.8
277.04938	10.8
277.08508	5.5
278.09216	1.7
279.06570	8.1
279.10153	15.5
280.10880	2.1
281.08066	3.9
281.11249	1.7
283.09628	3.2
291.10159	35.1
292.10849	3.8
293.08072	4.3
293.11490	1.4
295.05981	14.9
295.09424	2.0
296.10397	12.1
297.07596	1.5
297.11017	2.9
305.11530	1.2
308.10400	3.5
311.12802	18.0
313.14438	1.9
323.05310	2.2
323.12766	37.3
341.02615	1.9
341.06433	10.3
341.13779	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	341.0868
Annotation	AESCULIN
Peak:m/z	Relative Intensity
60.11190	0.3
69.03432	0.4
71.00701	0.4
71.01035	0.8
85.02914	1.2
90.04714	0.3
105.03397	0.6
117.03385	0.6
123.04443	11.5
133.02866	10.5
135.04410	2.0
151.03908	3.8
165.19559	0.4
178.65945	0.3
179.03410	100.0
180.03757	0.8
289.63190	0.4
290.14157	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1385
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
51.13249	1.2
55.01867	1.5
60.57977	1.3
61.64127	1.2
67.05498	1.5
70.06579	2.6
71.55914	1.6
79.05494	2.7
81.03427	1.4
81.07059	3.5
85.02882	1.7
91.05460	2.1
94.04195	2.7
95.04981	1.6
95.08646	1.2
105.06991	1.5
107.04948	3.7
109.06539	3.7
111.04435	2.3
115.05455	2.1
121.06500	1.4
122.03652	10.3
123.04453	1.4
124.07600	7.3
128.06232	3.0
129.07018	9.4
131.04916	3.7
131.08513	1.5
133.02849	4.6
135.04453	1.9
137.02362	4.4
137.05983	100.0
139.05478	1.5
143.04897	1.4
143.08537	2.0
144.05687	5.3
145.02881	1.4
145.06465	3.5
146.03589	1.4
147.04433	2.2
149.06004	4.0
151.03873	1.5
151.07507	4.3
151.10999	1.3
152.43274	1.4
155.73849	1.4
157.06509	7.8
158.07295	2.9
159.04388	1.8
160.05176	2.0
161.05980	3.5
163.03893	6.9
163.07509	2.6
165.05528	2.6
172.05191	8.0
174.06779	13.6
175.07509	8.0
177.05458	3.7
179.03398	2.3
179.07022	2.4
187.07550	44.6
188.08206	2.0
189.09145	19.0
190.07790	2.6
191.08652	4.8
199.07584	6.7
202.07726	4.3
203.08597	14.5
205.06529	3.3
205.08473	1.4
208.08871	2.0
211.07603	3.9
217.08607	28.7
218.07132	3.2
219.08043	13.4
220.08850	5.1
221.06012	2.5
221.09576	1.8
223.07520	1.7
227.07051	7.6
231.08086	16.0
232.08844	4.9
233.05952	4.3
233.09613	2.2
235.07507	3.4
236.08354	3.2
237.09120	2.5
239.07077	3.6
240.07774	3.3
247.07668	9.0
248.08362	20.5
249.05476	6.1
249.09056	2.3
250.06233	2.8
251.07048	1.6
251.10631	5.2
253.08757	3.0
255.06470	3.6
256.07300	2.7
259.07663	4.2
260.08392	3.0
261.09024	2.3
263.07523	2.4
263.10672	15.4
264.07800	4.1
265.08514	5.3
266.09198	1.4
267.06610	1.4
270.08850	7.4
271.09677	9.2
276.07867	8.3
277.08710	4.5
279.10120	14.8
281.04770	1.6
281.08109	3.7
283.09482	1.9
291.10172	38.4
292.10825	2.9
293.08054	5.2
295.05984	3.2
295.09668	1.7
296.10474	12.2
308.10382	3.3
311.12811	19.7
323.12766	36.9
341.06564	3.8
341.13849	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0658
Annotation	Salvianolic acid G
Peak:m/z	Relative Intensity
50.51279	0.7
53.03929	1.0
55.01854	2.0
55.05507	0.9
65.03936	1.0
68.99808	0.8
69.03402	0.9
69.70444	0.7
71.01346	0.8
71.04967	0.7
71.17305	1.2
78.12173	0.6
81.03426	5.2
81.07045	1.2
83.04996	1.3
89.52431	0.6
91.05372	1.1
91.05833	1.7
93.07045	1.0
95.04945	2.0
97.02842	0.9
103.05449	5.1
105.06991	1.4
107.04929	1.8
109.02863	3.2
109.06501	1.0
111.04419	2.1
115.05502	0.8
117.31742	0.8
119.04980	0.9
122.03621	2.7
123.04406	1.9
127.03902	1.8
128.06174	1.2
129.06987	3.1
131.04926	8.4
131.08511	0.9
133.02832	2.1
135.04388	1.8
137.02356	55.5
137.03403	5.0
137.05983	30.0
138.02652	0.9
141.06918	0.8
144.05687	1.8
145.02811	0.8
147.04390	2.4
151.03854	2.0
151.07501	1.5
152.06195	1.0
153.05498	1.0
155.04898	0.9
157.06500	1.9
159.04408	3.3
161.02290	0.9
163.03954	4.3
163.07643	0.8
165.05652	1.3
165.06952	5.6
167.10657	2.3
171.07957	1.0
172.05217	1.6
174.06812	4.6
175.03976	0.8
175.05473	0.8
175.07510	3.0
176.06174	2.2
177.05452	2.6
177.06979	4.6
178.05003	3.2
179.03381	8.0
179.05270	2.9
179.06772	1.1
181.06482	1.6
187.03923	13.0
187.07570	13.5
189.09081	4.9
191.08525	1.5
193.06491	6.4
195.08022	2.3
197.05978	1.6
199.07608	2.1
202.07768	1.0
202.56982	0.6
203.03358	2.1
203.08545	4.4
205.06499	15.0
207.07892	0.8
209.05954	1.1
211.07620	1.7
213.01843	3.9
217.08577	8.3
219.08029	3.0
220.08798	1.7
221.05994	26.8
223.07581	15.6
225.05440	3.0
227.07005	1.8
231.02890	2.7
231.08069	4.8
232.08864	1.0
233.05988	15.6
234.06743	0.9
235.07629	1.6
236.08392	1.0
237.05507	1.0
237.09100	1.2
239.07022	4.6
240.07846	1.3
247.07570	3.3
248.08377	4.9
249.05484	100.0
250.06071	3.0
251.07060	15.0
251.10799	1.6
253.04921	7.4
253.08696	1.5
255.06564	3.3
259.07538	1.7
261.05478	4.8
261.09158	1.9
263.10794	5.4
264.07770	1.2
265.08560	1.7
266.05890	1.7
267.06552	11.9
269.08298	1.0
270.08875	3.4
271.09695	2.3
276.07758	2.2
277.04987	33.2
277.08087	1.6
278.05603	1.2
279.06537	26.0
279.10114	4.8
282.64923	0.7
283.09686	1.9
291.10144	11.1
292.10770	1.3
293.08023	1.1
295.06027	48.3
296.06482	1.2
296.10526	3.7
297.07669	6.5
297.11041	1.1
308.10492	0.9
311.12787	4.3
313.07098	2.0
323.05414	7.6
323.12686	10.1
341.06570	27.4
341.09592	1.0
341.13220	4.3
359.02908	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0392
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27364	1.5
56.96552	1.7
58.99867	2.8
68.98290	2.8
70.12787	6.8
81.03435	2.2
85.01418	10.7
86.99340	2.0
97.01397	2.9
98.97581	5.1
101.00881	15.3
102.01684	4.0
103.02460	21.7
105.00374	2.1
113.00864	5.1
115.02422	8.1
119.01930	15.5
121.03471	7.2
127.02424	6.3
129.51004	1.6
131.01942	10.0
133.03479	85.4
137.03069	2.0
139.02431	9.1
141.03961	3.2
143.01895	6.1
145.02406	2.8
145.03473	33.3
151.04535	30.3
152.76086	1.6
153.01503	1.9
157.03458	19.4
159.04996	4.3
161.02986	17.0
163.04559	4.6
164.97029	3.3
167.01933	15.4
169.03487	9.7
171.05051	27.8
175.04538	54.1
176.04633	1.8
182.98154	14.4
183.05122	3.9
185.02975	32.8
185.06625	2.9
187.04530	17.3
189.06102	15.6
195.98860	13.5
196.99600	2.0
199.04617	3.9
200.99164	2.1
201.02405	1.9
201.06099	62.4
202.05965	1.8
203.04028	4.5
211.04526	1.9
212.99092	2.9
213.06058	9.6
213.99956	5.4
217.05547	22.9
219.02054	4.9
220.99637	5.5
227.00653	2.8
227.97900	4.0
229.05527	3.3
230.98152	10.0
235.06685	2.8
239.00737	13.8
241.05508	9.8
248.99168	19.1
253.02303	13.2
261.03448	1.9
267.00247	25.7
281.01801	67.7
282.02200	2.6
285.01233	8.2
298.98135	2.7
305.01746	12.3
323.02808	8.5
341.03891	100.0
342.04242	3.9
359.04999	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1028
Annotation	6-GlcO-I3CO2H
Peak:m/z	Relative Intensity
53.03956	1.2
53.04168	0.2
60.81080	0.2
61.02934	1.7
69.03429	5.0
70.37118	0.4
70.37495	0.5
76.86298	0.2
77.03927	0.8
81.03411	0.8
85.02903	1.4
93.10284	0.2
95.04967	1.7
97.02907	1.4
99.04473	0.3
104.04997	4.2
104.80817	0.3
105.04521	0.3
109.02866	0.6
127.03926	2.1
131.07271	0.3
132.04503	0.3
132.08177	0.2
155.40962	0.2
160.03957	1.8
174.44194	0.2
178.05003	100.0
179.05359	2.0
182.04492	0.4
185.57480	0.2
192.06462	0.3
196.06035	1.9
227.00325	0.3
244.06212	0.3
262.07205	0.6
274.07181	0.3
304.08377	0.3
340.10168	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.4
55.01878	4.4
55.91056	1.8
56.09545	2.0
57.03435	5.4
61.02921	6.0
68.99804	1.6
69.03436	34.8
70.42568	1.5
71.04998	3.4
73.02921	6.0
81.03429	19.8
85.02907	100.0
87.00835	43.2
87.44379	1.6
91.03991	2.2
97.02895	30.4
99.04472	13.5
103.03916	1.9
105.01865	79.0
108.04472	2.3
109.02883	27.2
115.03922	1.9
122.17181	1.6
124.39889	1.4
127.02972	3.5
127.03922	72.2
129.01855	3.6
133.79962	1.6
137.06017	2.1
145.04959	38.5
147.02876	2.6
159.02869	11.8
177.03955	1.7
178.05051	6.7
183.10036	1.7
189.03973	4.4
197.26961	2.0
202.36038	1.6
205.34383	1.7
212.89005	1.7
222.99380	1.7
231.05020	22.0
245.95135	1.8
249.06093	6.6
357.03448	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1028
Annotation	6-GlcO-I3CO2H
Peak:m/z	Relative Intensity
53.03947	1.3
57.03429	0.5
61.02913	1.2
68.31137	0.3
69.03427	4.6
70.06588	0.4
70.80933	0.8
71.04990	0.3
73.02905	0.3
77.03896	0.7
78.40089	0.3
81.03413	2.0
85.02904	3.9
95.04970	0.6
97.02892	4.6
99.04469	1.3
104.05001	2.8
105.01877	0.4
109.02876	1.2
117.50178	0.2
119.05051	0.3
123.04404	0.3
127.03921	3.3
132.01967	0.3
137.02348	0.5
145.04942	0.8
147.04355	0.6
148.04788	0.6
160.03931	0.8
160.07567	0.4
163.03897	0.6
164.04250	1.0
175.08687	0.3
178.05002	100.0
179.03525	0.3
179.05367	1.5
180.68233	0.3
196.06075	5.8
203.03406	0.8
204.03743	2.4
216.06641	0.4
231.04945	0.6
233.05969	0.3
233.36368	0.3
234.07553	0.7
249.05669	0.7
262.07111	1.1
295.06015	0.5
322.09399	0.4
323.12808	0.3
340.10526	1.7
340.14093	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2533
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03937	3.6
55.05520	14.7
55.55157	1.9
57.03433	5.6
57.07088	3.4
65.03902	2.2
67.05512	81.4
69.07066	14.0
71.08622	2.5
79.05499	47.2
81.07063	85.0
83.04955	2.5
83.08620	6.5
85.06547	3.3
89.60709	1.8
91.05482	22.9
93.06470	3.3
93.07056	60.0
95.08615	74.5
97.06550	4.6
97.10168	3.6
98.20787	4.6
99.08067	2.9
105.07040	22.4
107.08600	44.0
109.10163	46.7
111.08059	3.1
116.17679	2.1
117.07018	11.5
119.08585	26.1
121.10163	47.7
123.11736	15.6
125.09656	3.0
129.07025	2.8
131.08582	19.9
133.10129	20.0
135.11710	34.6
137.13263	5.0
139.11198	2.8
145.10143	23.7
147.11697	16.4
149.13264	19.8
159.11705	19.0
161.13307	4.9
163.14825	8.6
165.12686	2.3
173.13239	13.2
175.14879	2.3
187.14871	5.8
191.14439	2.7
201.16385	3.2
219.21094	4.4
229.12428	2.8
229.15430	2.5
229.19531	23.0
247.20602	100.0
265.21652	3.5
283.16916	13.2
321.24246	4.9
339.25497	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	339.2533
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03947	3.1
55.01878	2.4
55.05516	18.3
57.03434	6.7
57.07079	2.6
65.03950	2.2
65.54435	1.5
67.05511	99.2
69.07076	16.3
71.04990	2.1
75.04507	1.9
79.05498	50.1
81.03434	1.6
81.07065	98.4
83.04990	1.6
83.08634	10.1
85.06549	3.5
91.05485	22.3
93.07051	60.0
95.04987	3.6
95.08614	95.6
97.06511	3.8
97.10178	3.0
98.21608	2.7
99.08105	2.3
105.07050	21.3
107.08607	45.6
109.10167	53.1
111.08065	2.2
117.07027	8.2
117.99106	1.3
119.08600	17.9
121.10159	40.1
123.11723	19.5
125.09641	2.2
129.06966	1.5
131.08586	20.6
133.10152	15.6
135.11705	29.0
137.09705	2.1
137.13264	4.9
139.11192	3.7
143.06778	1.5
145.10127	18.8
147.11696	13.3
149.09612	1.7
149.13271	20.3
159.11702	20.5
161.13246	4.1
163.14865	7.0
165.12723	1.8
173.13240	17.1
175.14880	2.0
187.14923	3.5
189.16444	2.1
201.16411	3.1
219.21111	6.4
229.12263	2.1
229.19539	27.0
247.20610	100.0
248.21033	2.1
265.21637	6.2
283.17023	2.3
303.23358	1.5
305.17520	1.9
321.24243	9.8
339.25290	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
61.02915	1.0
69.03121	0.4
69.03435	4.2
69.52098	1.8
70.69671	0.3
77.03936	0.5
81.03411	0.6
85.02893	1.4
95.04976	1.4
97.02893	1.9
104.04993	4.9
109.02882	0.5
127.03953	2.3
128.21587	0.3
137.05997	0.9
138.06340	0.8
160.03960	1.7
178.05008	100.0
179.05409	1.6
196.06035	1.7
210.63347	0.3
230.10568	0.3
262.07248	0.5
280.64606	0.3
319.81747	0.3
340.10156	1.0
342.60175	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2533
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03941	2.3
55.01877	1.6
55.05513	51.9
57.03444	2.2
57.07077	1.7
57.32899	1.2
59.38187	1.1
65.63134	1.1
67.05508	10.2
69.03421	3.7
69.07070	18.5
70.12210	5.2
71.04996	2.0
79.05503	4.9
80.22843	1.1
81.03438	1.9
81.07059	25.0
83.05003	1.8
83.08630	5.7
85.06545	4.5
91.05487	2.5
93.07050	11.6
95.04961	3.3
95.08613	36.8
97.06547	3.0
97.10173	100.0
99.08109	3.0
101.06018	1.9
105.07047	7.9
107.08601	9.7
109.06532	1.9
109.10161	16.4
109.35671	1.7
111.08115	2.8
111.11726	1.9
113.05989	1.5
113.09687	1.7
119.08595	6.9
121.10146	7.0
123.08054	4.0
123.11682	9.1
125.09638	16.9
131.08554	1.9
133.01123	1.4
133.06557	1.4
133.10121	6.9
135.08093	1.4
135.11700	5.2
137.06032	3.1
137.09616	4.8
137.13260	5.1
139.11195	3.7
139.87198	1.3
141.09132	5.4
143.10680	40.4
145.10201	1.9
147.11674	5.1
149.13318	5.3
151.07536	3.7
151.11165	2.5
151.14830	3.7
155.10651	1.3
157.12270	2.2
159.11710	1.8
161.13335	3.9
163.07603	1.2
163.14844	2.7
165.09116	2.9
165.12805	2.2
167.14340	2.8
171.10251	3.3
175.14830	2.3
177.12801	2.4
177.16371	2.1
179.14307	5.7
187.09607	1.6
187.14793	2.4
189.05486	1.8
189.11177	7.5
195.13818	2.1
205.15964	1.6
219.17285	1.7
238.14699	1.4
275.23657	2.8
285.22403	1.6
293.24619	2.8
303.23111	8.7
321.21048	1.7
321.24237	42.3
322.24496	1.3
324.96066	1.3
337.75357	1.2
339.25302	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	339.2532
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
51.44775	1.2
53.03947	3.0
55.01871	2.7
55.05517	58.1
57.03433	2.8
57.07077	4.0
58.62804	1.1
59.05000	1.7
65.03932	1.4
67.05508	13.1
69.03429	4.0
69.07071	25.6
70.06586	1.3
70.19613	4.1
71.05008	3.6
73.06564	1.6
79.05505	7.2
81.03408	1.8
81.07061	31.1
83.04971	4.1
83.08621	6.5
85.06554	5.5
91.05486	8.3
93.07050	14.7
95.04962	3.3
95.08613	39.1
97.06525	4.0
97.10177	100.0
99.04505	1.3
99.08101	2.2
100.11258	5.1
101.06058	3.9
103.05473	6.3
105.07045	12.5
107.08601	13.0
109.06538	3.4
109.10155	15.4
111.04459	3.5
111.08071	2.9
111.11693	1.7
115.05483	2.0
117.07039	1.6
119.04950	3.4
119.08591	10.0
121.10135	10.4
122.03664	3.1
122.06012	2.2
123.04455	1.4
123.08110	3.2
123.11707	9.7
124.07606	1.5
125.09635	21.2
128.07146	1.7
131.04951	5.9
131.08606	3.0
133.06494	2.7
133.10139	6.3
135.08072	2.1
135.11664	6.0
136.07593	3.3
137.05981	40.2
137.09625	3.0
137.13272	3.0
138.09132	3.9
139.11215	4.6
143.10690	35.4
145.10130	1.9
147.04414	11.8
147.08023	1.6
147.11676	3.1
149.09590	1.7
149.13274	5.7
151.03868	9.1
151.07553	2.7
151.11200	2.1
151.14857	4.7
153.12753	1.6
155.04858	2.0
155.57671	1.3
157.10161	1.4
157.12210	1.9
159.04437	1.6
159.11703	4.1
161.06000	3.6
161.13269	4.3
163.07550	2.2
163.11174	1.5
163.14842	2.2
164.07030	3.3
165.09082	1.7
165.12721	4.2
167.14322	4.2
169.04985	2.6
169.10114	1.4
171.10168	2.5
173.13208	2.2
175.14848	1.9
177.12773	2.6
179.14366	6.5
183.04459	1.9
187.14795	2.0
189.05470	15.9
189.11241	10.8
191.14291	1.8
195.13780	4.1
203.18098	1.2
205.15836	2.1
207.06546	2.3
213.80507	1.4
215.07123	4.6
223.07344	1.2
229.12231	2.2
247.16954	1.7
275.23764	2.5
285.22049	1.4
293.24765	2.5
303.15857	1.8
303.23190	9.3
321.11258	1.6
321.24243	48.0
322.24237	1.7
339.05127	6.2
339.12186	7.2
339.17093	4.3
339.25278	4.6
363.03809	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	339.253
Annotation	Betaenone E
Peak:m/z	Relative Intensity
51.89257	1.0
53.67665	1.0
55.01871	4.0
55.05270	1.4
55.05518	23.4
56.36886	1.1
57.07080	16.8
59.89676	1.1
67.01859	3.3
67.05508	11.2
68.99797	16.2
69.06721	1.9
69.07073	28.2
69.30991	4.8
69.31422	4.4
71.05005	1.4
71.08638	6.3
79.05493	6.9
81.03423	1.9
81.07058	11.9
83.04981	5.3
83.08628	18.3
85.10168	3.1
91.05521	2.5
93.07053	11.2
95.04973	3.0
95.08612	12.2
97.02885	2.8
97.06525	7.7
97.10178	9.4
105.07048	2.2
107.04959	1.8
107.08609	9.6
109.06525	1.8
109.10201	4.9
111.00815	40.8
111.04441	10.1
111.08083	3.8
111.11727	3.0
113.02397	1.2
119.08553	3.0
121.06511	1.3
121.10131	7.7
123.11659	2.3
125.05988	3.5
125.09638	3.6
126.03135	2.3
127.03939	11.5
133.10098	1.1
135.08054	2.5
135.11717	7.6
137.09683	1.3
139.03912	25.3
139.07524	2.9
139.08636	1.0
139.11147	2.3
145.10103	1.3
149.02351	2.1
149.09605	1.5
149.13292	5.0
152.25569	1.1
153.05400	1.4
153.09123	4.5
159.11687	1.5
163.11220	1.6
163.14780	1.6
167.07074	3.5
167.10699	2.6
171.10126	1.8
177.12691	1.6
181.08612	4.7
181.27628	1.0
185.11812	1.4
193.05020	4.2
195.10168	6.7
195.13741	2.5
199.13306	1.3
209.11728	12.3
209.15332	2.0
219.21074	1.8
223.13324	13.8
223.16890	1.5
224.65665	1.6
237.14891	14.3
251.16483	17.3
256.26459	1.9
261.22000	1.1
265.17984	14.3
279.19601	5.2
279.23230	6.6
297.24228	1.6
321.24255	100.0
322.24667	3.4
339.24875	18.1
339.77768	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	339.2532
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
51.34180	1.5
53.03946	3.8
55.05297	1.7
55.05514	20.8
57.03427	7.6
57.07060	4.3
62.60214	1.6
65.03931	4.2
66.61273	1.5
67.05508	100.0
69.06774	1.6
69.07072	16.6
71.04992	2.4
71.08626	3.6
71.56042	1.8
75.04462	2.2
79.05063	3.3
79.05496	49.3
81.07063	95.4
83.08633	8.9
85.06516	3.6
91.04969	1.9
91.05489	23.7
93.07050	63.5
95.04959	4.2
95.08610	92.1
97.06534	4.1
97.10181	4.6
99.08120	1.7
105.07029	22.2
105.08597	1.6
107.08595	49.5
109.06527	4.9
109.09459	3.0
109.10164	54.8
117.07011	9.6
119.08588	21.0
121.10149	42.2
123.08036	1.6
123.11705	22.6
125.09628	2.5
131.08578	20.0
133.10149	17.7
135.11705	36.8
137.09543	2.1
137.13263	4.2
139.11150	3.0
141.50069	1.8
143.08521	2.1
145.10126	23.0
147.11687	19.2
149.13277	18.7
151.14787	1.9
159.11697	23.4
161.13263	4.7
163.14787	6.4
165.12730	2.8
173.13261	14.5
175.11215	2.8
177.12802	2.6
183.38229	1.7
187.14838	5.9
201.16432	2.3
219.21028	5.8
229.19542	26.4
230.19997	2.1
247.20599	94.4
248.20905	2.3
265.21609	6.6
283.16885	7.3
304.76169	1.7
321.24164	11.6
339.25375	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	339.2533
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
52.22160	3.0
53.03942	3.5
55.01860	3.5
55.05518	22.1
57.03426	5.2
57.07051	3.9
65.03938	5.3
67.05175	5.1
67.05511	91.1
68.71424	2.9
69.07073	15.0
71.04980	4.7
79.05494	42.5
81.03385	5.0
81.07064	94.2
81.30157	2.8
83.04974	5.7
83.08606	7.6
88.54295	3.6
91.05482	28.3
93.07051	63.0
95.04971	5.3
95.08611	78.8
97.06520	9.9
97.10194	3.5
105.07027	22.0
107.08604	51.5
109.06532	3.7
109.10159	54.8
117.07006	9.8
119.08599	16.0
121.10149	43.5
122.21549	3.0
123.11718	20.0
125.09619	3.1
131.08582	19.7
133.10178	17.6
135.11714	27.8
145.10126	24.6
147.11690	17.1
149.09552	2.7
149.13261	22.3
151.11159	5.7
159.11700	26.7
161.13264	5.5
163.14766	8.3
165.12714	3.6
173.13249	15.9
177.26964	2.9
185.81723	2.7
187.14821	6.0
219.21037	5.9
229.12245	6.9
229.19543	33.5
247.20605	100.0
296.04434	3.2
321.24146	5.7
339.25357	16.4
340.16455	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	339.1554
Annotation	Aziridyl benzoquinone
Peak:m/z	Relative Intensity
50.61028	0.4
51.97342	0.4
53.03960	0.5
55.01880	0.5
57.03435	1.7
61.02921	1.6
69.03435	3.9
69.07063	0.5
69.80278	0.9
69.80694	1.5
70.06609	0.4
70.50284	0.4
71.05000	1.9
73.02916	0.7
75.04481	0.7
79.05492	0.6
81.03425	0.8
81.07064	0.9
83.06099	2.3
84.08172	2.5
85.02908	1.1
86.09723	0.4
88.78025	0.4
89.03931	0.4
91.05492	0.9
93.07041	0.4
95.04967	0.5
97.02885	0.5
98.21167	1.4
99.04445	1.0
107.04952	0.4
117.03377	1.0
119.04983	0.4
120.08069	0.5
122.06039	0.9
123.04448	0.7
123.08036	0.4
123.11682	0.4
127.99966	0.4
132.08029	0.7
135.04433	3.9
136.07588	0.8
139.03934	0.7
141.12776	0.7
145.02859	1.4
146.31503	0.4
147.04411	5.4
147.09148	0.5
149.02318	0.9
150.05560	0.5
151.03917	0.4
154.08688	0.5
159.09187	51.1
160.09950	0.9
161.10742	7.4
163.03909	14.4
172.09746	0.9
173.10745	7.3
175.03964	0.7
175.08662	0.5
177.05482	1.8
178.04999	5.2
182.08206	0.4
185.10783	0.7
187.04008	0.5
187.08792	0.6
187.12407	0.5
189.05579	0.4
189.10190	0.5
196.14357	2.3
199.03920	0.4
199.12383	0.5
203.03409	18.7
203.11847	2.0
205.09740	32.9
215.03374	0.9
219.02977	0.8
219.06454	0.4
224.14015	0.8
231.02963	2.7
233.04538	1.0
261.04037	1.3
275.13852	1.1
279.05087	1.4
291.04962	1.1
293.14951	7.6
293.18073	0.6
295.06088	0.4
295.16556	1.4
321.14493	2.9
339.15527	100.0
340.15945	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01880	2.2
55.02097	0.5
55.05260	0.6
55.05513	8.6
57.03445	4.5
57.07073	2.1
65.03933	0.6
65.86346	0.4
67.01881	2.0
67.05173	0.4
67.05509	7.3
68.99435	0.7
68.99795	11.8
69.03425	0.7
69.07073	27.6
70.07394	0.5
70.50349	0.6
71.04975	1.3
71.08617	0.8
79.05497	4.9
81.03403	1.3
81.07066	8.0
83.04985	3.2
83.08620	6.7
85.06542	1.0
91.05470	1.9
93.03413	0.5
93.07053	10.8
95.04976	1.4
95.08603	5.3
97.02896	1.2
97.06540	7.7
97.10162	1.5
99.04456	0.6
105.07005	1.2
107.04952	1.8
107.07874	0.6
107.08603	9.6
109.02891	0.9
109.06525	1.7
109.10176	3.9
111.00814	31.8
111.04449	6.1
111.08098	6.0
111.11704	0.9
112.01075	0.4
112.08043	0.4
113.05971	0.8
117.07024	1.0
118.02454	0.4
119.08574	2.2
121.06501	1.3
121.10177	3.4
122.92643	0.4
123.04382	0.6
123.08089	1.8
123.11729	1.1
125.06008	4.3
125.09644	0.8
126.03148	1.3
127.03928	9.5
131.08568	1.0
133.10114	1.3
133.46985	0.4
135.08083	2.7
135.11702	7.0
137.09618	1.2
139.03914	16.4
139.07523	1.8
139.18478	0.4
145.10114	0.9
147.07977	0.6
147.11732	0.4
149.06058	0.6
149.09634	1.2
149.13283	9.0
151.07574	0.7
151.11185	0.4
153.05513	0.9
153.09108	0.7
153.12755	2.3
159.11691	2.4
163.07591	0.8
163.11163	0.9
167.07063	2.4
167.14320	1.8
171.10146	0.5
173.13246	0.5
177.09206	0.5
177.12733	4.0
181.08614	1.6
187.02583	0.4
191.14330	2.0
195.10173	1.5
195.13812	10.2
213.14883	5.4
219.13734	0.9
223.13348	2.2
229.12163	0.5
237.14868	54.2
238.15242	1.1
247.17076	0.5
265.14368	100.0
266.14655	2.3
339.18024	8.9
339.21664	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1229
Annotation	Demethoxycurcumin
Peak:m/z	Relative Intensity
53.03943	0.9
55.01874	1.2
55.05510	1.3
57.03431	0.4
65.03939	0.9
66.04736	0.7
66.33175	0.4
67.05499	1.8
68.99809	0.4
69.03431	0.8
69.07054	1.3
70.58566	0.5
70.58907	1.0
79.05501	5.4
81.03416	0.5
81.07062	2.6
83.08601	0.6
85.02932	0.5
90.04682	0.5
91.05504	2.4
93.07051	1.7
94.04186	2.9
95.04977	1.8
95.08628	2.4
97.10181	1.8
100.11275	1.1
103.05479	16.8
105.04559	0.4
105.07039	12.5
107.04959	0.9
107.08602	1.7
109.02884	0.6
109.06547	0.7
109.10186	1.0
111.02888	0.4
111.04420	0.7
115.05463	4.8
116.06316	0.4
117.07008	0.7
118.04184	3.9
119.04987	0.7
119.08576	0.8
121.06506	0.4
121.10160	1.1
122.02834	0.8
122.03662	8.6
123.11717	0.8
125.09686	0.6
127.05444	0.6
131.04941	17.5
131.08582	0.6
132.05714	0.9
133.06496	9.8
133.10049	0.5
135.11720	0.5
137.05989	100.0
138.06339	0.8
141.05455	0.6
143.04961	2.7
143.10722	0.7
144.05704	1.1
145.10092	0.8
146.03647	1.9
147.04433	0.6
149.93202	0.4
151.03922	21.2
151.05009	1.1
151.07544	0.7
154.12302	0.8
155.04915	5.0
157.06409	0.5
159.04414	3.2
161.05988	11.3
163.07547	5.2
171.04465	1.0
171.14977	0.8
172.05180	2.3
177.05530	0.9
183.04443	4.5
184.05203	0.7
187.03816	0.5
187.07579	1.6
189.05482	49.9
190.05949	0.7
200.04709	4.3
203.06981	2.3
207.06543	6.5
215.07050	16.1
218.07320	0.9
219.08078	1.1
229.06572	0.8
235.07585	0.7
246.06874	1.0
247.07568	0.8
251.10841	0.5
257.06033	0.8
261.09027	0.7
263.07178	0.7
265.08679	0.9
274.06583	0.5
275.07187	0.4
275.16296	0.5
278.09329	0.9
279.10226	1.0
289.08514	2.5
291.06509	0.5
293.17267	0.9
297.11298	0.9
303.23132	0.7
306.08798	0.9
307.09744	1.1
311.12781	1.5
321.11176	3.1
321.24188	1.0
339.12296	14.8
340.12827	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
54.95244	0.5
55.01881	1.1
55.05517	4.7
57.03440	0.6
57.07082	3.0
57.47549	0.5
58.25026	0.5
65.03939	1.1
67.05505	4.6
67.20006	0.5
67.90578	0.5
69.03421	1.0
69.06751	0.7
69.07069	5.1
69.82473	0.5
70.94452	1.1
71.08617	1.4
75.59375	0.5
79.05497	4.9
80.05033	0.4
81.07061	7.2
83.05000	0.5
83.08620	4.4
85.06546	1.2
85.10190	0.8
87.76392	0.5
91.04928	0.6
91.05480	2.1
93.07047	4.6
94.04182	3.0
95.04977	1.3
95.08611	7.8
97.06529	1.7
97.10176	6.0
99.08132	0.5
100.62821	0.5
103.05471	13.5
105.07036	9.8
107.04953	1.2
107.08603	3.6
108.02123	0.7
109.06554	1.0
109.10143	4.5
110.10453	0.7
111.04426	1.1
111.08081	1.0
111.11742	0.9
115.05450	3.9
117.07075	0.6
118.04160	2.2
119.08621	1.2
121.02884	0.6
121.06554	0.8
121.10153	2.9
122.03651	6.9
123.08093	0.8
123.11706	1.9
125.05980	2.0
125.06854	0.5
125.09639	1.0
129.07033	0.8
131.04936	17.9
133.06505	7.8
133.07457	0.9
133.10135	1.0
134.20399	0.5
135.11688	2.1
137.05981	100.0
137.09552	2.6
137.13255	1.0
138.06274	1.1
139.11186	0.6
141.09048	0.7
143.04959	2.4
143.10722	0.7
144.05733	0.9
145.10159	0.7
146.03635	1.5
147.11703	0.9
149.13260	1.4
151.03917	19.4
151.04994	1.0
151.07576	1.2
155.04918	4.3
155.06059	0.7
157.06525	0.7
159.04430	2.7
159.11710	0.7
161.06012	9.1
161.13326	0.7
163.07535	7.2
165.09117	2.9
172.05188	1.7
173.06030	0.5
177.05498	0.7
177.12531	0.5
179.10710	0.7
183.04390	3.4
184.05156	0.6
187.07603	1.4
188.04626	0.6
189.05472	39.2
190.05801	0.5
191.08614	0.9
200.04662	4.2
203.07082	1.8
205.55231	0.6
207.06483	6.8
215.07030	14.3
218.07330	0.7
229.12279	1.0
233.15411	0.6
246.06879	0.7
247.07545	0.8
247.16820	0.7
257.05997	1.5
261.09241	0.6
265.14462	0.7
274.06299	0.9
275.16422	0.7
277.18073	0.8
279.10226	0.7
289.08588	2.3
297.11319	0.7
303.15976	0.8
303.23218	1.1
303.30554	1.1
304.30792	1.2
306.08701	0.9
307.09641	0.9
311.05234	0.5
311.12735	1.5
321.11105	2.4
321.17010	0.8
321.24170	1.9
321.31586	0.8
322.31982	1.0
338.34128	1.7
339.05261	2.5
339.12271	9.9
339.16605	0.8
339.18130	0.6
339.34598	2.7
340.12741	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.01878	1.5
55.05509	2.8
56.05030	1.4
57.03429	3.9
67.05508	7.6
67.34682	1.1
68.58688	1.2
69.03416	1.9
69.07072	15.4
71.55534	2.6
73.06528	1.5
75.63933	1.1
79.05492	3.3
81.07060	24.4
83.04971	1.4
83.64199	1.1
84.08142	4.9
85.02916	21.3
86.58733	1.3
91.05501	1.6
93.07056	2.6
95.08613	100.0
97.02870	3.4
97.06544	6.0
99.04445	4.9
99.08079	3.7
103.03950	4.0
105.07005	1.7
107.04936	1.7
109.02850	1.8
113.09659	12.8
114.52516	1.3
115.07577	27.2
119.04974	1.4
123.08079	43.2
127.03878	2.1
131.04945	1.3
132.04497	1.4
134.37650	1.3
135.04362	5.9
141.09113	85.9
142.09575	1.4
146.06044	2.4
147.04388	6.2
159.10184	58.4
163.03928	15.1
176.07095	3.0
203.03424	21.3
221.23503	1.3
231.02823	1.8
235.12788	1.5
279.04935	2.5
334.48792	1.3
338.08630	1.8
338.12210	7.0
339.15475	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	338.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90312	1.3
52.72530	1.5
57.03426	2.8
62.43394	1.5
67.05495	6.8
69.03399	2.1
69.07069	21.2
71.00611	3.6
73.06550	3.2
78.43389	1.3
81.07061	18.4
85.02912	20.4
88.01734	1.4
93.07027	2.3
93.53447	1.4
95.08612	100.0
97.02910	1.8
97.06536	5.4
99.04451	5.4
99.08090	4.9
113.09673	10.6
115.07578	24.4
123.08083	42.5
135.04379	2.2
141.09113	89.0
147.04405	2.0
159.10175	63.6
159.11505	3.1
163.03885	5.9
199.92776	1.3
202.03839	1.4
203.03413	7.9
233.70026	1.6
272.65659	1.5
314.07751	1.6
338.12054	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	338.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	73.9
57.07085	12.1
57.23244	13.3
58.04436	12.2
63.56727	9.8
63.63883	9.9
65.25132	9.7
67.05498	28.5
69.03433	13.8
69.07071	34.3
71.56081	12.7
79.05488	32.1
81.07058	37.1
83.08616	44.1
91.05464	35.5
93.07017	20.3
95.08613	20.9
97.10177	100.0
105.07005	12.7
107.08595	45.3
117.06989	22.1
119.08601	48.8
121.06520	21.7
121.10181	11.4
125.09641	82.9
135.08058	22.5
143.08609	14.5
145.06509	24.9
145.10170	12.8
153.09137	12.6
157.10204	11.5
159.08038	14.1
198.16171	14.7
203.12746	84.0
265.09131	12.6
271.16998	58.3
280.16342	15.6
303.19687	53.7
313.33969	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	339.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02557	1.5
56.96570	16.5
58.12588	1.5
60.73856	1.5
65.03947	1.6
69.03445	3.5
71.35178	1.7
71.35499	2.7
73.02907	2.5
84.96057	1.9
85.02881	5.3
89.03915	7.3
91.05473	7.9
97.02882	6.4
98.97591	15.5
101.00892	4.8
103.10136	1.7
107.04945	6.4
109.02888	2.1
110.97611	3.2
113.00909	2.4
116.98607	6.6
117.03372	11.1
119.01932	12.7
119.04950	14.2
123.04419	1.8
128.98604	2.9
131.01894	4.1
131.12680	1.6
134.99661	2.3
135.04428	25.5
137.02258	10.5
145.02847	9.4
145.03680	2.1
147.04420	49.5
148.04753	2.1
155.01904	2.8
157.03546	2.1
159.01425	3.3
161.01256	1.8
161.03075	2.2
161.05928	1.8
163.03909	100.0
164.04233	3.1
172.94344	3.4
173.02940	4.1
177.01024	2.8
177.02446	7.9
177.06656	13.9
185.02917	2.0
190.95358	2.6
193.03409	3.2
195.01401	12.6
195.03204	3.0
197.01236	3.6
203.01964	1.6
203.03877	2.4
208.96312	2.1
211.04486	1.8
213.02495	7.0
213.04309	2.1
219.01746	8.9
221.00943	3.2
221.02989	50.6
221.05104	4.0
231.01653	2.0
231.03539	12.5
237.02565	6.9
239.02161	7.6
239.04091	5.1
249.02429	2.1
251.04018	2.5
255.03542	5.2
257.03305	2.3
261.02533	11.8
263.04044	5.9
269.05295	2.1
273.02701	2.7
274.97504	3.1
279.03723	17.7
281.05078	3.0
290.95502	2.1
291.03442	4.4
292.41605	1.6
292.98578	2.2
297.02472	7.6
309.04608	2.7
321.04614	2.5
339.05630	38.9
339.12115	4.0
357.06824	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	338.087
Annotation	3-Indole carboxylic acid glucuronide
Peak:m/z	Relative Intensity
53.76263	0.3
57.03444	3.4
61.02917	0.9
65.73577	0.3
69.03442	0.3
69.42059	0.7
69.42458	1.7
73.02921	7.2
75.51419	0.3
78.78706	0.3
82.01735	0.3
90.28564	0.3
111.47770	0.3
115.03955	0.5
132.04465	6.0
160.03923	0.5
178.05003	60.4
179.05354	0.5
206.04495	100.0
207.04865	1.6
284.67786	0.3
338.08569	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	0.3
57.03434	0.9
61.02932	1.2
67.21703	0.3
69.03442	0.5
69.72449	2.1
71.04989	0.8
73.02924	10.7
83.04986	0.9
85.02913	1.1
91.05528	0.4
95.04988	0.4
97.02893	0.3
98.20724	0.4
98.41209	0.3
99.04462	0.6
113.06009	1.9
115.03967	0.9
119.04947	0.6
120.05318	0.5
121.24476	0.3
127.03985	0.4
132.04468	6.1
135.04465	0.6
136.07564	0.9
141.05484	1.8
147.04434	1.2
148.04733	0.8
158.11736	0.7
159.06544	3.8
163.03937	1.5
164.04272	0.9
175.80043	0.4
176.06976	0.4
176.12830	0.7
178.05011	63.2
179.05327	0.9
206.04504	100.0
207.04813	1.2
238.01057	0.4
240.02660	0.5
258.03421	0.5
274.03302	0.3
280.29364	0.3
300.64249	0.3
338.08640	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.9706
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96331	3.4
56.96570	43.0
61.02934	4.5
62.58031	4.1
65.23328	3.1
71.55633	5.1
71.95245	6.4
81.03415	4.3
98.97583	100.0
99.60303	3.4
101.00890	14.6
102.76254	3.1
111.46859	3.3
115.02469	4.9
116.98630	63.8
119.01929	71.4
120.02035	8.5
121.01680	11.7
134.99672	40.1
137.02974	22.5
138.03070	4.6
142.03500	30.1
160.04515	7.4
165.57043	3.5
174.97672	7.5
177.00992	10.0
179.00786	6.1
189.00055	5.5
192.98802	5.8
194.91237	4.6
212.92139	16.5
213.00160	6.1
216.98715	73.0
230.93251	21.2
234.99777	98.0
248.94283	5.3
254.93388	39.2
254.95990	5.3
256.96600	25.8
257.97354	12.6
258.96320	16.5
263.02734	4.6
263.45572	4.6
272.94412	87.4
274.97742	8.2
276.97342	4.7
277.00711	6.1
277.94357	4.6
283.91226	4.9
288.92538	5.6
290.92325	6.7
290.95419	53.1
291.98486	3.8
293.24524	4.9
295.91364	7.9
295.95938	8.2
296.94357	18.6
299.91068	6.7
303.24957	3.7
303.58340	6.6
303.90381	6.5
304.92093	20.7
305.25412	11.2
305.42010	5.0
305.58624	19.0
305.91983	14.6
306.24908	5.5
306.92218	4.7
310.59140	7.4
310.92285	23.0
311.25674	19.6
311.46100	4.9
311.58984	26.3
311.92776	6.7
311.96021	27.3
312.25430	5.8
312.46347	7.4
312.58990	10.1
313.40747	4.2
313.58853	8.0
313.97052	5.0
314.95499	93.7
319.92160	5.8
320.96503	4.1
323.47131	4.3
323.91034	6.1
324.41141	5.0
325.25549	11.2
325.58850	5.2
325.91916	7.2
332.39584	5.6
332.43561	5.3
332.89578	10.8
332.96432	6.2
337.92828	5.4
337.96945	5.3
344.91159	3.9
345.90900	4.0
353.38901	5.0
356.96759	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18913	5.4
56.96556	20.9
60.95078	4.7
70.05189	18.4
70.98114	6.8
85.01428	5.4
98.97576	27.5
101.00867	19.6
103.02420	14.4
110.97559	8.5
113.79693	5.1
115.02406	6.7
116.98605	7.8
119.01930	19.4
119.72881	5.0
121.03498	5.1
128.54611	5.4
128.98589	10.7
131.00211	6.0
131.01894	9.2
133.02544	9.9
133.03479	100.0
141.03882	4.7
143.01898	9.0
145.01639	7.2
145.03430	13.7
146.99649	5.8
151.04536	33.1
155.01913	17.3
157.03503	23.8
159.05101	6.9
161.02934	14.7
169.03500	8.1
171.05020	9.7
173.01358	5.6
173.02963	9.7
175.04546	60.7
181.03529	9.4
185.02849	5.8
187.04480	22.9
189.06026	8.5
199.04596	11.7
201.06073	23.5
211.04561	29.5
211.06337	5.0
217.02002	9.5
217.05624	26.8
229.05498	7.7
235.01331	5.5
235.06682	18.4
244.99704	6.8
247.06744	5.8
249.08188	4.9
251.04506	7.2
255.07384	5.1
263.00766	12.9
269.05438	7.8
277.07712	94.0
295.08807	81.6
337.09106	88.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2011
Annotation	Deisobutyryl bakkenolide H
Peak:m/z	Relative Intensity
55.01878	1.8
55.05510	9.8
57.07079	1.7
57.38609	1.4
67.05512	17.9
68.99788	3.6
69.07071	14.8
69.55079	4.9
69.55505	3.5
71.04987	5.6
72.74985	1.3
79.05495	4.2
81.03416	1.9
81.07061	20.8
83.08627	21.8
91.05475	3.7
93.07050	5.6
95.08614	37.3
97.06525	3.8
97.10177	4.4
101.09679	1.3
105.07047	5.6
106.08062	1.5
107.08588	5.0
109.02882	2.5
109.10165	24.5
111.00804	5.6
111.08076	2.0
112.12640	1.4
114.42038	1.5
114.90139	1.5
119.08580	5.3
121.10078	1.5
123.11707	5.0
127.03925	100.0
133.10091	3.3
135.11705	4.0
139.03909	2.2
147.11694	2.1
165.16382	7.8
175.14825	6.8
183.17400	2.2
229.17999	36.9
241.20360	1.2
251.16446	3.2
279.15945	7.0
295.18896	3.8
337.20148	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	337.2377
Annotation	Hepoxilin B3
Peak:m/z	Relative Intensity
53.03945	5.8
55.01878	4.1
55.05264	4.7
55.05515	62.8
56.76657	4.1
57.07084	4.6
67.05515	47.8
69.03426	13.5
69.07073	35.8
71.04982	7.2
79.05514	27.9
81.04242	4.2
81.07063	66.4
83.04994	10.3
83.08616	12.0
84.08175	3.7
85.06542	12.0
91.05492	19.2
93.07053	74.4
95.04963	14.1
95.08617	99.4
95.09229	5.0
97.06535	16.4
97.10178	100.0
105.07022	26.4
107.04961	4.6
107.08606	67.7
109.06514	12.0
109.10169	52.8
111.04428	9.1
111.08072	10.4
117.07001	4.1
119.08604	25.7
121.06516	11.8
121.10139	29.8
123.08098	21.3
123.11703	31.3
125.09641	22.4
127.03982	3.6
129.07065	5.1
131.08571	14.5
133.10146	32.1
135.08069	12.5
135.11711	27.3
137.05948	6.2
137.09608	15.5
137.13272	5.1
139.07523	10.5
139.11214	9.0
141.09099	23.7
143.08530	6.6
143.10696	36.5
144.27827	3.5
145.10150	15.4
147.08000	4.3
147.11693	28.2
149.09688	6.8
149.13274	18.2
151.07567	21.5
151.11243	18.5
153.12764	15.3
157.10120	8.9
159.11716	20.9
161.09709	9.0
161.13272	12.3
163.07571	4.5
163.11220	9.7
165.09106	6.7
165.12769	11.1
171.11728	4.4
173.13280	6.2
175.11223	8.7
175.14798	8.5
177.12712	7.1
179.10645	4.1
185.13316	5.3
187.14883	7.7
189.11226	4.5
189.12779	5.0
193.12271	7.9
199.14716	5.2
203.14284	5.3
255.21161	7.3
273.22388	5.2
290.05798	6.0
291.23221	8.6
301.21521	17.8
316.35324	4.5
319.22699	46.2
337.10864	5.9
337.23788	74.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0446
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	74.7
57.82116	2.0
58.60249	2.1
70.30585	4.1
70.30978	4.9
70.98126	47.5
71.95264	7.7
73.08769	2.2
74.97617	4.1
84.96054	8.5
85.02913	3.0
88.99165	21.4
98.42300	2.2
98.97592	100.0
107.00204	3.1
108.96156	1.8
110.97589	29.6
112.99173	5.3
116.98640	46.1
124.95504	14.3
127.03919	3.0
128.98616	39.4
131.00195	7.1
134.99677	10.8
140.98590	5.4
142.96526	16.9
144.98102	2.3
145.01804	3.6
146.99669	48.9
149.01151	2.5
152.94939	5.2
156.98134	5.2
158.99702	7.7
160.97636	5.0
163.03951	5.3
165.00720	23.1
170.96046	25.9
170.99712	6.5
172.97668	4.5
173.01166	2.2
174.99249	11.8
175.00667	1.9
177.00728	3.3
183.01784	3.5
184.97621	16.0
186.99248	4.6
188.97101	47.9
189.00725	33.1
191.02376	3.7
193.00273	7.2
202.98663	26.4
205.00282	13.5
206.98161	19.9
207.01779	24.1
212.97093	11.2
217.00253	12.1
219.01791	4.0
220.99681	15.9
223.01323	6.8
230.98152	49.4
232.99860	5.2
235.01370	8.0
244.99739	37.0
248.99222	16.9
249.02902	6.5
263.00790	77.0
263.03534	4.7
267.03983	5.3
277.02353	31.5
279.05475	2.4
281.01813	11.0
283.87949	2.3
295.03363	10.9
295.06802	4.2
305.01663	2.9
328.41986	2.3
337.04495	3.5
337.08447	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	337.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16163	2.7
51.58119	3.1
56.96571	79.9
57.03436	4.2
61.18610	3.4
63.65049	2.9
69.03442	4.4
70.98125	36.9
71.55586	4.3
71.95266	9.5
72.96041	4.5
81.07108	3.2
84.96052	9.6
85.01423	6.3
85.02913	7.6
88.99161	24.2
89.03930	10.5
89.35734	3.1
97.02879	4.4
98.97592	100.0
100.99195	3.2
101.00913	18.0
103.02451	17.3
110.97585	29.5
112.99124	4.7
113.00889	6.4
115.02415	4.5
116.98642	45.1
117.02282	3.4
117.03376	10.9
119.01915	29.9
120.22692	3.0
121.01665	10.3
124.95499	14.5
128.98624	42.8
129.60255	3.1
131.00180	11.4
131.01912	11.1
133.01753	6.4
133.03482	85.2
134.99678	16.1
135.03358	5.7
135.04453	18.4
142.01093	4.1
142.96539	14.0
143.01920	10.5
145.01666	7.5
145.03473	23.1
146.99664	56.4
147.04367	6.0
151.04546	24.6
155.01915	13.3
156.98111	5.7
157.01698	5.4
157.03473	19.7
158.02480	3.2
158.99663	6.4
159.05058	9.9
160.02184	4.1
160.97604	6.4
161.01286	3.4
161.02980	17.3
163.02728	5.2
163.03917	79.9
164.04256	6.6
165.00763	27.3
169.03554	8.2
170.96013	18.6
170.99602	5.5
171.05087	6.8
172.97610	5.7
173.01306	5.5
173.02969	9.6
174.99190	14.0
175.04547	43.6
179.02122	3.5
181.03532	4.2
184.97618	14.5
185.02982	3.9
186.99173	5.7
187.02948	5.1
187.04561	22.5
188.97058	46.9
189.00729	24.3
189.06096	9.8
190.98660	7.1
191.02388	4.1
193.00230	10.1
193.01912	3.7
199.04564	10.1
201.06157	24.8
202.98680	26.9
203.04065	6.0
205.00259	14.2
206.98158	24.6
207.01793	23.7
211.02773	5.6
211.04543	27.9
212.97107	9.2
213.07928	3.7
217.00186	9.1
217.01994	8.5
217.05634	23.1
218.99721	4.7
219.05234	4.1
220.99684	13.6
223.01198	7.5
230.98167	41.7
232.99725	3.4
235.01274	9.7
235.06625	20.9
237.00705	32.3
237.06386	29.4
238.85548	3.7
244.99718	29.1
247.06819	5.4
248.99225	13.0
251.04379	9.7
253.07899	6.0
255.01756	21.0
255.07664	12.0
263.00729	76.5
265.05771	4.6
267.03629	3.7
269.05548	13.4
273.02856	9.2
277.02597	24.2
277.07706	93.1
279.07440	3.8
281.01822	11.7
289.07672	4.4
293.05624	4.6
295.03592	7.1
295.08810	84.5
296.02228	4.1
305.01920	6.3
305.05502	18.7
319.07239	5.3
337.09125	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	336.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54451	1.8
55.01869	5.9
55.93512	2.0
56.96559	4.9
68.05030	1.7
69.71336	3.6
69.71745	8.5
81.03413	7.5
84.60493	1.7
88.07617	5.4
88.36058	1.7
91.05495	8.7
98.20990	5.4
103.05486	2.9
107.04974	2.1
110.06026	2.3
111.04445	1.7
115.05453	9.3
117.07008	4.4
119.04934	14.9
122.06024	13.5
123.04433	5.5
127.96040	1.8
131.04909	6.7
133.06477	2.7
135.04419	2.5
136.07567	2.0
138.03653	1.8
143.04942	10.7
144.08040	3.3
145.02817	3.8
145.06494	9.8
147.04411	55.3
149.05995	5.4
161.05991	14.7
163.03912	14.4
163.07516	2.6
171.04451	3.8
172.07643	3.1
173.06003	9.4
175.06267	3.3
184.07619	2.4
186.09276	2.1
188.07063	3.4
189.05472	24.6
189.07193	2.2
189.07872	3.1
190.08617	15.0
191.07008	4.7
202.08655	7.4
203.09372	3.4
204.10223	5.3
208.59747	2.3
212.07162	7.4
216.06567	7.1
217.04980	15.4
218.97501	2.6
221.01361	2.8
230.08139	41.0
232.09708	100.0
233.04437	3.9
234.00536	2.4
239.02269	8.1
240.06615	3.7
240.21713	2.5
252.97835	1.8
257.03363	7.6
258.07645	80.8
276.08728	36.1
297.02948	2.6
300.08786	2.3
336.10861	31.4
348.29977	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
51.67908	1.5
53.03948	2.1
55.00268	1.4
55.01870	1.8
55.05514	24.7
57.03444	20.2
57.07072	3.8
65.03937	3.3
65.41961	1.4
67.05509	97.7
67.54987	1.5
69.07073	23.8
71.04998	1.8
79.05059	3.1
79.05498	40.6
81.07065	81.2
83.08622	6.7
91.05489	21.9
93.07047	52.1
95.04974	6.0
95.08617	67.3
95.09235	3.3
97.06541	2.6
97.10179	3.8
98.20674	2.4
105.07037	15.7
107.08601	24.3
109.06513	3.6
109.10173	25.9
111.08073	2.8
117.07026	6.1
119.08589	13.3
121.10155	19.5
123.07999	2.3
123.11716	8.6
131.08586	9.5
133.10143	8.1
135.11726	14.3
137.09680	2.0
137.13266	4.6
145.10144	6.5
146.85260	1.4
147.11679	6.4
149.13232	8.2
159.11700	4.6
161.13274	6.5
163.14850	2.9
173.13275	5.2
187.14816	1.5
229.13284	1.6
243.21143	4.9
261.22098	9.8
280.23581	1.6
289.78366	1.5
317.24689	1.8
335.25821	100.0
336.26382	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	335.2582
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03948	3.3
55.05523	24.4
57.03447	20.0
57.07077	2.6
67.05514	100.0
69.07076	24.5
69.32742	17.5
71.04987	2.3
77.54874	2.2
79.05503	47.2
81.07064	76.2
83.08614	7.8
91.05499	19.5
92.41519	2.0
93.07053	51.5
95.04974	6.9
95.08616	60.0
97.06528	3.4
105.07038	13.5
107.08611	19.6
109.06477	2.6
109.10166	28.2
117.07066	2.3
119.08601	9.4
121.10183	19.2
123.11720	6.6
131.08585	6.2
133.10146	9.6
135.11700	10.6
145.10144	2.5
147.11705	4.9
149.13264	6.2
151.14828	2.4
161.13258	3.3
163.14854	2.6
173.13287	3.2
175.98906	2.6
187.14824	2.3
198.58624	2.2
207.39291	2.2
261.22226	4.5
335.25842	88.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03941	3.9
55.01866	1.7
55.05513	25.0
57.03193	2.0
57.03442	28.4
57.07063	2.9
65.03937	3.7
67.05508	93.5
67.80500	1.2
68.05819	1.2
69.03412	1.7
69.06721	1.7
69.07071	22.4
69.75662	6.2
71.05002	1.8
77.52672	1.1
79.05497	47.6
81.07060	93.5
81.21890	1.1
83.04944	1.3
83.08608	7.5
85.06567	3.0
85.10235	1.3
91.04958	2.0
91.05481	23.2
93.06469	2.7
93.07050	53.1
95.04971	3.9
95.08611	67.8
97.06533	4.5
97.10165	3.6
98.21519	1.7
99.08139	1.3
105.04515	1.1
105.07033	18.1
107.08603	29.4
109.06516	2.9
109.09456	2.1
109.10165	28.7
111.08088	1.4
117.07015	4.8
119.08588	11.2
121.10155	24.3
123.08085	1.8
123.11714	11.0
125.09629	1.4
130.23280	1.3
131.08580	9.5
133.10136	11.2
135.08109	1.4
135.11693	12.4
137.09602	1.4
137.13237	2.8
145.10091	6.5
146.25194	1.1
147.11702	6.3
149.13243	9.1
151.14795	1.3
159.11687	4.3
161.13239	6.2
163.14850	3.3
165.12848	1.7
173.13303	5.5
175.14810	1.7
187.14861	3.3
239.98750	1.3
243.21136	2.9
248.17609	1.3
250.86108	1.2
261.22174	9.7
279.23398	1.2
317.24841	1.9
335.25812	100.0
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
53.03949	4.7
55.01857	1.4
55.05266	1.3
55.05517	23.4
57.03442	25.5
57.07076	5.1
65.03930	3.3
67.05508	93.2
69.03406	1.0
69.07071	23.5
71.04990	2.9
71.08646	1.0
72.93792	0.8
73.44621	1.0
77.03918	1.0
79.05500	47.5
81.07061	85.0
83.04977	1.3
83.08623	9.6
85.06546	1.7
91.05487	23.9
93.07048	48.9
95.04958	3.7
95.08610	69.1
97.06526	3.1
97.10162	4.0
99.08103	1.1
105.04507	0.9
105.07030	14.6
107.08602	24.8
109.06491	1.4
109.10161	28.8
111.08128	1.8
111.08994	0.8
117.07024	4.1
119.08586	11.7
121.10152	20.6
123.08121	1.6
123.11726	8.1
131.08601	8.7
133.10143	7.6
135.11699	12.6
137.13194	2.0
140.35837	0.8
145.10121	4.3
147.11702	5.6
149.13290	6.9
154.49992	0.8
158.17696	0.9
159.11664	4.7
161.13228	4.7
163.14835	2.3
173.13239	4.9
175.14862	2.2
177.16409	1.3
187.14807	2.1
243.21107	2.5
261.22250	6.5
279.23389	1.1
298.00842	1.0
317.24838	2.2
335.25827	100.0
336.26163	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	335.2217
Annotation	Topsentolide B1
Peak:m/z	Relative Intensity
53.03922	0.7
55.01865	1.0
55.05512	3.7
56.36408	0.7
67.05508	4.3
69.03429	1.4
69.07066	1.9
70.08846	2.7
71.04993	0.8
79.05492	1.1
81.03413	1.1
81.07062	6.0
83.08617	2.9
87.00819	0.7
91.05495	1.8
93.07041	2.4
95.05013	1.1
95.08596	3.4
97.06532	0.7
98.21439	1.0
99.04429	0.8
105.07037	2.1
107.04927	0.7
107.08572	2.2
109.06534	0.9
109.10158	4.1
119.08585	3.4
121.06517	1.1
121.10146	2.0
122.07271	1.4
123.08172	0.8
123.11716	7.2
124.07585	1.7
124.76677	0.6
127.03905	1.4
131.08629	1.1
133.10146	1.1
135.08110	0.8
135.65160	0.6
137.06079	0.9
137.09624	10.8
139.46344	0.7
143.08575	0.7
147.11676	1.4
149.09653	1.3
153.09102	1.8
159.11758	0.8
161.09656	1.0
162.05496	1.1
165.09122	100.0
166.09491	1.9
169.10168	0.7
189.12697	0.7
191.14056	0.6
193.12935	0.7
205.12204	0.9
273.03830	0.8
287.13940	1.1
317.21042	1.9
335.22058	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.5
55.01870	2.4
55.05262	0.6
55.05517	9.8
57.03444	0.5
57.07071	1.9
67.01865	0.5
67.05514	6.8
68.99805	5.5
69.03433	0.4
69.07073	7.0
70.06583	0.9
71.04959	0.6
71.56351	0.4
79.05505	5.3
81.03417	1.1
81.07065	14.2
83.04987	0.9
83.08631	7.2
85.02908	0.8
85.06552	0.9
86.38361	0.4
87.00850	1.1
88.44249	0.4
91.05483	2.1
93.07053	6.0
95.04991	0.9
95.08617	11.5
97.06548	3.2
97.10168	4.1
98.98492	0.6
99.04449	0.8
102.18598	0.4
105.07053	1.8
107.04972	0.5
107.08599	5.6
109.02869	1.4
109.06546	1.1
109.10180	3.2
109.93635	0.4
111.00819	9.5
111.04446	0.9
111.08089	2.0
111.11752	0.9
117.07020	0.7
119.08595	1.1
121.10166	5.5
123.08099	0.5
123.11701	1.0
125.06036	0.7
125.09731	0.5
127.03928	100.0
128.04263	0.9
131.08594	1.1
133.10193	0.7
135.08046	0.8
135.11707	1.5
139.03894	3.2
145.10135	0.8
147.11705	1.1
149.09583	1.0
149.13237	0.6
153.01833	1.0
153.09187	0.7
161.13301	0.5
163.14832	4.3
169.05023	0.7
173.13330	1.6
181.15929	1.8
191.14320	0.6
193.08717	0.4
197.19046	0.5
205.15891	0.6
209.15416	1.1
223.16971	1.4
225.18593	0.7
227.16606	0.7
229.23636	0.6
251.16415	0.5
265.17996	4.2
273.26251	1.0
281.33817	0.5
289.18051	1.5
293.17499	15.3
293.20944	0.8
307.19058	3.7
317.17648	3.2
317.24881	1.1
335.18588	13.2
335.21973	0.5
335.26324	0.6
335.29907	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	335.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74127	0.3
53.64167	0.3
55.01875	1.8
55.05263	0.5
55.05515	9.2
56.55334	0.3
57.03429	0.4
57.07074	1.3
65.03933	0.4
65.53815	0.3
67.01866	0.7
67.05508	7.2
67.96579	0.3
68.99796	6.0
69.03430	0.5
69.06709	0.6
69.07071	7.3
70.06600	0.5
71.04988	1.0
71.08614	0.4
71.57264	0.6
79.05496	5.8
81.03408	1.6
81.07062	13.7
83.04980	1.2
83.08627	6.5
85.02865	0.4
85.06540	0.8
87.00842	0.8
91.05482	1.7
93.07047	7.5
95.04991	0.6
95.08614	11.2
96.08943	0.4
97.06536	2.0
97.10172	3.4
98.98460	0.5
99.04454	0.9
99.08073	0.8
105.07027	1.3
107.04967	0.3
107.08598	5.1
109.02887	1.7
109.06523	0.6
109.10162	2.7
111.00041	0.5
111.00811	9.3
111.04433	0.8
111.08108	2.2
111.11716	0.7
117.07055	0.6
117.17635	0.3
119.08572	0.9
121.10149	5.8
123.08075	0.6
123.11691	0.6
125.05970	0.5
125.09664	0.4
127.03924	100.0
128.04243	0.7
131.08597	1.6
133.10158	0.6
135.08075	0.4
135.11685	1.0
139.03918	3.8
139.11182	0.6
144.87955	0.3
145.06558	0.3
145.10153	0.9
147.11708	0.6
149.05992	0.5
149.09636	0.8
153.01814	1.7
159.07997	0.3
159.11668	0.4
161.13269	0.4
163.03848	0.4
163.07646	0.3
163.14830	4.1
165.05539	0.5
169.05025	0.6
173.13237	1.6
179.18027	0.4
181.05011	0.4
181.15878	1.7
187.14809	0.6
191.14301	0.8
193.08618	0.4
197.19048	0.4
209.11813	0.5
209.15475	0.9
215.10706	0.4
223.16971	1.1
225.18501	0.5
227.16460	0.6
243.19426	0.4
265.15210	0.7
265.17957	5.6
273.26126	0.8
289.18051	0.9
293.17465	15.8
299.20502	0.3
307.19043	4.5
317.17447	3.1
317.24915	0.9
335.18558	14.0
335.26184	0.6
335.29703	2.7
336.18649	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.149
Annotation	(-)-Tetrodecamycin
Peak:m/z	Relative Intensity
53.03938	1.1
55.01869	1.6
55.05513	7.8
57.03449	1.2
57.07080	6.6
58.06591	2.1
58.07412	1.5
63.35102	0.7
66.32234	0.7
67.05493	4.6
68.99789	2.9
69.03423	5.2
69.07077	8.6
70.06594	16.5
71.05003	1.0
71.06931	5.3
71.08640	1.1
79.05490	5.6
81.03411	2.7
81.07066	7.3
83.04988	3.1
83.08619	2.3
85.02898	2.3
87.00871	1.0
88.07635	20.2
89.06004	1.0
89.07954	6.1
91.05481	2.4
93.07052	8.5
95.04977	1.3
95.08605	8.7
97.02892	2.0
97.06530	6.3
97.10182	2.8
98.98475	4.0
102.09183	12.5
103.09519	5.6
103.72260	0.7
105.07047	2.4
107.04991	1.2
107.08610	5.9
109.02898	2.1
109.06485	1.4
109.10165	2.7
111.00810	14.6
111.04433	3.7
111.08095	1.2
112.48433	0.8
119.08587	2.7
120.08087	1.0
121.10139	5.7
123.11623	0.9
125.05986	2.4
127.03924	13.5
131.08556	1.3
133.10184	2.0
135.08070	1.4
135.11717	6.5
137.09578	0.9
139.03912	28.3
139.11229	1.1
144.11891	0.8
145.10130	2.3
147.11711	1.5
149.13229	1.1
151.07614	1.0
153.12730	2.0
161.13232	0.9
163.11214	3.4
167.07077	0.9
177.12897	2.1
179.07027	0.9
181.12271	5.8
185.20982	1.0
199.13281	6.8
201.14816	1.3
203.10355	0.8
209.11772	2.1
223.11540	0.7
223.13313	37.1
228.23244	14.5
229.23561	44.9
240.21173	0.8
251.12798	46.7
252.13004	0.8
267.15894	2.7
273.26276	2.1
293.13846	15.0
317.28845	4.8
334.29602	1.0
335.14932	65.8
335.29868	100.0
336.15219	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01869	1.6
55.05513	7.8
57.03449	1.2
57.07080	6.6
58.06591	2.1
58.07412	1.5
63.35102	0.7
66.32234	0.7
67.05493	4.6
68.99789	2.9
69.03423	5.2
69.07077	8.6
70.06594	16.5
71.05003	1.0
71.06931	5.3
71.08640	1.1
79.05490	5.6
81.03411	2.7
81.07066	7.3
83.04988	3.1
83.08619	2.3
85.02898	2.3
87.00871	1.0
88.07635	20.2
89.06004	1.0
89.07954	6.1
91.05481	2.4
93.07052	8.5
95.04977	1.3
95.08605	8.7
97.02892	2.0
97.06530	6.3
97.10182	2.8
98.98475	4.0
102.09183	12.5
103.09519	5.6
103.72260	0.7
105.07047	2.4
107.04991	1.2
107.08610	5.9
109.02898	2.1
109.06485	1.4
109.10165	2.7
111.00810	14.6
111.04433	3.7
111.08095	1.2
112.48433	0.8
119.08587	2.7
120.08087	1.0
121.10139	5.7
123.11623	0.9
125.05986	2.4
127.03924	13.5
131.08556	1.3
133.10184	2.0
135.08070	1.4
135.11717	6.5
137.09578	0.9
139.03912	28.3
139.11229	1.1
144.11891	0.8
145.10130	2.3
147.11711	1.5
149.13229	1.1
151.07614	1.0
153.12730	2.0
161.13232	0.9
163.11214	3.4
167.07077	0.9
177.12897	2.1
179.07027	0.9
181.12271	5.8
185.20982	1.0
199.13281	6.8
201.14816	1.3
203.10355	0.8
209.11772	2.1
223.11540	0.7
223.13313	37.1
228.23244	14.5
229.23561	44.9
240.21173	0.8
251.12798	46.7
252.13004	0.8
267.15894	2.7
273.26276	2.1
293.13846	15.0
317.28845	4.8
334.29602	1.0
335.14932	65.8
335.29868	100.0
336.15219	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70524	0.9
56.96563	4.9
58.99867	1.2
61.02922	1.6
69.03436	1.6
69.64845	5.6
70.99886	1.5
73.02911	1.4
77.00921	1.2
79.05505	2.3
81.03435	1.8
82.99843	1.6
85.02912	3.8
89.00839	1.3
89.03923	12.1
91.05505	2.8
97.02918	1.0
98.97587	6.2
100.00134	1.4
101.00898	15.7
103.00668	1.1
103.02457	2.1
107.04975	4.4
108.23972	1.1
113.00900	4.2
115.02445	5.7
116.98655	4.4
117.02124	1.0
117.03375	7.2
118.01153	3.8
118.01939	1.2
119.01933	29.6
119.04914	4.6
121.01675	1.4
126.01633	2.0
127.02435	2.4
127.03958	1.5
128.98634	1.0
129.03944	1.5
131.00243	1.2
131.01903	13.2
131.02789	1.1
133.01636	1.1
133.03477	10.0
134.99825	3.0
135.04419	15.7
137.02943	2.5
138.01672	1.6
139.02473	2.3
141.03958	1.8
142.01140	10.9
143.01915	10.2
144.02750	5.8
145.02835	5.0
145.03595	4.4
146.03496	1.1
146.40800	0.9
146.99646	2.0
147.01439	1.6
147.04367	13.2
149.03027	2.2
155.01915	4.8
156.02666	9.8
157.01578	1.6
157.03482	17.8
158.06650	1.6
158.99754	1.2
159.01456	1.8
159.05038	9.1
160.02184	9.1
161.02969	11.8
162.99416	4.6
163.03914	66.9
163.99466	1.4
164.04225	4.8
166.01202	2.3
167.01930	3.1
169.03511	4.1
171.05069	6.4
172.02229	1.2
173.02971	6.8
173.06683	2.6
174.03711	1.3
174.97820	1.3
175.04538	9.5
177.00806	2.3
177.02368	2.3
177.98381	1.0
181.03625	1.9
184.02180	9.7
185.02971	13.8
185.06557	2.4
186.99339	2.4
187.00912	1.2
187.04588	3.6
189.00687	1.2
189.02461	1.4
189.06058	1.9
190.98724	1.2
191.02353	1.3
191.04037	1.3
193.01849	1.2
199.02922	1.6
199.04471	7.5
201.00856	4.8
202.03197	1.3
203.04045	4.1
203.07689	2.4
205.00360	2.2
211.53868	1.1
213.00945	3.8
215.02290	1.5
215.04126	3.2
215.07768	1.9
217.03711	1.7
217.05595	8.1
218.98772	1.1
219.02036	6.1
221.05064	2.2
227.04062	1.6
228.98727	1.6
231.01993	5.4
235.06641	100.0
236.06812	2.3
237.06535	1.6
241.05611	1.4
245.05132	5.9
249.08221	3.6
251.02130	1.3
252.04749	1.3
253.07722	48.9
255.02045	2.3
258.08340	2.1
259.01508	3.3
263.05972	2.6
267.09235	8.3
269.05499	1.8
271.01563	6.0
272.01630	1.4
275.09882	2.8
276.09253	1.2
277.07718	6.8
283.01654	1.4
289.02625	2.9
289.07648	6.6
291.09265	11.5
293.10953	4.4
294.06079	1.2
301.02780	1.8
303.05612	36.2
307.08774	5.1
309.10504	1.2
312.07672	4.5
313.02560	2.7
316.56070	1.1
317.07288	16.0
317.10849	2.5
335.08307	55.4
335.11804	3.0
336.08456	2.2
351.75897	1.0
353.09604	6.0
358.09811	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.9
53.67319	1.1
55.01878	0.9
55.05515	6.3
56.96556	1.4
57.03426	2.2
61.02917	2.4
67.05529	0.9
69.03432	7.2
69.07076	1.0
70.47668	1.1
70.48003	2.0
71.04987	2.8
72.08189	1.1
75.81859	0.9
79.05479	2.3
81.03424	2.6
81.07063	20.4
83.08626	6.2
84.08125	2.3
85.02908	17.1
85.06532	5.0
86.09709	2.3
91.05478	1.8
95.04955	2.2
97.02895	5.8
97.06528	1.4
98.06042	2.3
98.09699	4.0
99.08123	2.1
105.36072	1.1
108.08129	4.1
109.02886	1.8
109.06516	18.3
119.04942	1.3
123.04446	1.1
126.05450	1.1
126.09161	49.5
127.03916	3.2
127.07558	17.9
133.06467	1.5
134.06075	1.3
137.05998	3.4
145.04956	2.4
147.04372	2.5
152.07117	1.6
154.08636	62.5
155.07040	35.7
162.05482	4.9
172.09694	100.0
190.04988	4.2
197.53786	1.1
202.18852	1.1
224.04997	1.1
311.04453	1.5
314.91739	1.0
334.09021	22.1
334.12656	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.1
55.01869	4.5
55.05522	12.1
55.93526	2.9
57.03443	4.1
57.07085	21.4
67.05515	24.7
69.03419	2.2
69.07069	7.4
70.15578	8.9
71.04986	5.4
71.08639	100.0
79.05495	24.0
81.03429	4.3
81.07068	25.3
83.04985	4.7
83.08611	2.4
85.06541	4.7
85.10172	7.3
89.06055	16.0
91.04975	2.8
91.05493	39.8
93.07072	20.9
95.04967	4.7
95.08610	15.8
97.06499	3.4
98.98483	21.9
99.07475	3.7
99.08100	60.9
103.05423	3.2
105.07031	25.1
107.04928	6.2
107.08599	12.0
109.06547	3.4
109.10138	6.5
115.05429	2.4
116.06211	2.1
117.07027	34.2
119.08601	25.8
121.06534	5.0
121.10143	6.6
123.08092	3.0
127.11222	3.9
128.06215	5.1
129.07033	14.6
131.08595	18.2
133.06494	2.5
133.08627	4.4
133.10112	11.4
135.08057	5.1
135.11652	5.2
137.09514	3.2
141.06995	10.0
141.12738	9.7
143.08595	18.7
145.06522	2.6
145.10135	23.0
147.08118	4.0
147.11702	5.4
149.09644	3.6
149.13214	2.6
151.09666	9.0
151.11179	16.9
155.08539	4.2
157.10147	10.4
159.11684	11.0
161.09665	17.1
167.08531	2.7
169.10115	28.8
169.98450	2.2
171.11693	4.5
173.13237	2.4
176.98936	2.8
179.14330	4.1
181.10078	3.4
183.11661	2.5
185.13292	14.2
187.11188	23.6
187.14713	2.4
189.12686	3.6
195.11719	2.8
196.53990	2.1
201.12697	2.1
203.14302	18.8
217.15942	4.8
219.13812	20.4
235.16835	3.0
241.19543	2.3
241.91330	2.3
265.19656	3.4
283.20575	8.1
301.21674	7.1
333.15170	13.2
333.24377	14.7
354.73553	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	333.206
Annotation	Gibberellin A12
Peak:m/z	Relative Intensity
53.03946	4.0
55.01867	2.9
55.05516	8.0
57.07070	1.9
59.56701	1.5
65.03938	1.7
67.05508	21.0
67.55419	1.5
69.03402	2.4
69.07059	8.7
70.28412	3.1
70.28820	6.1
71.04980	2.5
77.03887	1.5
79.05496	36.7
81.07057	41.8
83.04982	2.9
83.08612	2.4
86.59086	1.8
91.05482	34.3
93.07050	81.9
95.04971	5.8
95.08048	3.2
95.08611	47.9
97.06519	4.1
97.10165	2.3
97.23145	1.6
98.98478	23.0
100.98858	2.1
103.05457	1.5
105.06371	3.1
105.07034	36.2
107.08598	29.1
109.06498	8.0
109.10166	45.1
111.08076	11.6
117.07005	8.8
119.08585	29.2
121.06512	6.1
121.10143	42.7
123.08117	3.7
123.11715	29.0
128.06252	2.7
129.07007	5.0
131.08559	19.6
133.10144	20.0
135.08070	4.6
135.11690	11.4
137.09656	10.2
139.07579	5.3
142.07784	4.0
143.08566	15.5
145.06464	2.8
145.10130	21.0
147.08035	7.3
147.11699	15.8
149.09647	10.6
149.13251	6.5
153.09151	3.2
155.08542	6.4
156.09334	2.6
157.10155	15.1
159.08046	3.0
159.11717	22.1
161.09566	8.1
161.13274	7.3
163.11198	4.6
165.09100	3.7
167.08551	2.7
167.10660	1.9
169.10121	11.3
169.12299	5.1
170.10910	2.0
171.11638	13.7
173.13252	9.4
175.11179	9.8
176.98978	3.4
177.09160	1.7
177.12743	2.8
180.09300	2.1
181.10152	5.4
183.11630	7.9
185.13277	9.7
187.11180	6.4
187.14790	1.9
189.12843	4.5
191.10677	14.0
195.10162	3.7
195.11729	11.1
196.12509	2.6
197.13295	4.9
199.11209	2.7
199.14908	5.6
201.12686	3.6
203.10669	2.4
203.14252	1.7
209.13252	12.2
211.14818	3.9
213.12761	4.9
213.16380	4.8
217.12354	2.7
223.14844	5.0
225.16437	10.9
227.14365	2.7
227.17996	3.9
231.13821	1.9
239.18069	3.2
241.19519	24.4
243.17435	3.3
251.17946	30.2
257.19098	2.4
261.14960	2.6
269.19009	51.8
270.19489	2.1
271.16977	7.3
272.40628	1.7
285.18488	2.1
287.20068	25.9
289.18054	2.3
297.18515	22.0
315.19565	100.0
316.19955	3.0
333.20627	82.5
334.20935	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	333.2062
Annotation	Cespihypotin V
Peak:m/z	Relative Intensity
51.28406	4.7
55.05520	12.2
55.99650	4.5
64.10845	4.6
67.05524	32.9
68.74501	4.6
68.95305	5.1
69.07075	11.3
70.81573	11.0
71.04969	6.7
71.08624	5.3
79.05497	46.4
81.07063	45.5
83.08611	7.0
91.05482	24.3
93.07056	88.7
95.04975	13.4
95.08611	45.1
97.10207	5.8
98.98479	98.5
100.98889	6.4
105.07027	46.4
107.08598	33.7
109.06541	7.0
109.10155	52.8
111.08106	10.6
119.08611	38.0
121.06586	5.6
121.10135	51.3
123.08127	7.1
123.11726	24.8
129.07047	6.0
131.08589	18.9
133.10146	16.2
135.11711	15.9
137.09636	13.4
143.08586	13.4
145.10133	22.8
147.08038	7.8
147.11708	16.6
149.09602	9.5
149.13280	8.0
156.09265	6.7
157.10164	22.8
159.11739	25.8
165.09093	6.1
169.10179	11.9
171.11673	14.8
173.13301	9.4
175.11238	12.2
176.98955	8.0
181.10217	5.4
183.11716	13.5
185.09668	5.9
185.13304	7.1
191.10654	13.3
192.75758	4.5
193.12306	6.9
195.11752	15.2
197.13324	8.4
198.37408	4.9
203.10706	6.1
209.13312	12.0
210.14076	5.7
213.12741	5.8
213.16237	6.9
225.16464	14.9
227.17516	5.6
231.10117	8.3
241.19519	17.6
244.32062	5.2
251.17963	28.4
269.19012	49.0
272.25873	7.8
287.19977	23.1
297.18448	16.2
315.19571	100.0
315.23053	10.4
333.16998	8.8
333.20709	88.2
333.24326	7.1
334.29642	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	333.1909
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
53.03938	4.9
55.01871	2.8
55.05515	8.2
57.03444	4.0
57.07079	12.2
59.05001	8.3
60.41667	2.1
61.02925	6.0
67.05505	15.7
69.03435	62.9
69.07067	10.0
70.92559	2.4
73.02945	3.5
79.05496	2.8
81.03429	14.4
81.07059	7.6
83.08618	3.3
85.02422	4.2
85.02911	61.9
85.06549	9.4
85.89241	2.1
87.04475	4.3
91.03972	3.5
93.07056	2.6
95.04973	5.8
95.08620	40.0
97.02903	21.5
97.06548	3.7
97.10170	6.8
98.98489	12.0
99.04470	3.8
99.08115	13.6
105.07013	2.6
107.08601	9.1
109.02893	10.0
109.06531	6.5
109.10162	17.6
111.04494	2.4
111.08103	7.3
113.09647	50.9
127.03898	12.4
127.11197	27.0
135.11678	12.0
137.13303	3.2
145.04974	15.6
149.09576	2.3
152.07079	100.0
153.12750	59.4
155.14333	10.5
171.02159	2.0
171.13826	33.7
187.80049	2.2
213.14859	2.8
214.08653	3.2
248.09192	5.6
260.09106	2.2
288.08664	8.9
297.29645	2.7
316.08054	8.1
333.06161	2.2
333.10800	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	333.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.4
55.05512	2.1
57.07084	2.2
59.37823	1.1
66.96252	1.2
67.05495	5.0
69.07040	1.7
71.56215	2.1
79.05491	5.0
81.03420	36.2
81.07047	4.4
82.56039	1.3
83.04995	2.2
88.35757	1.2
91.05495	6.0
93.07053	6.0
95.04969	2.0
95.08625	3.7
98.97859	1.7
98.98472	18.4
100.98908	1.4
105.07018	5.2
107.04915	1.4
107.08585	1.8
109.02886	100.0
109.06502	1.2
109.10161	1.5
117.06981	1.6
119.08624	2.9
121.10139	1.5
127.03921	23.0
131.08540	1.5
133.10114	2.6
137.05913	1.2
143.08524	1.7
147.11647	2.9
149.02339	1.5
161.13239	1.4
163.11128	1.5
171.11670	2.4
176.98926	2.2
193.05045	2.0
333.16675	8.1
333.20370	46.0
333.24176	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	333.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09776	0.4
55.01856	0.7
63.81053	0.4
67.05505	0.6
69.03415	0.8
70.06586	0.5
71.56330	0.7
79.28207	0.4
81.03400	0.7
81.07055	0.4
84.08137	0.7
84.77945	0.5
85.02901	1.0
91.05481	0.8
93.07051	1.1
95.04953	1.0
98.98473	11.7
100.98876	0.8
105.07018	0.9
105.25568	0.5
107.04943	1.3
107.08624	0.9
108.05291	1.1
109.06545	0.6
111.04395	0.5
119.04943	0.6
121.02860	1.9
123.04426	0.7
131.04907	0.6
131.14137	0.5
135.04372	0.7
136.04747	0.6
137.05914	0.5
147.04419	1.1
148.95204	0.5
153.05501	0.9
153.09105	1.4
162.05498	1.9
168.06595	0.6
169.07632	0.6
170.08157	0.6
171.10017	2.7
173.02493	0.9
176.98904	1.4
185.07076	0.6
190.05008	0.7
197.07085	1.1
198.07698	0.7
201.09093	0.5
213.06673	0.6
213.10199	0.8
221.05042	0.6
223.08598	0.6
227.08105	0.8
231.11169	0.6
241.09756	1.1
245.09267	0.7
247.02368	2.6
252.06737	0.5
255.07698	0.7
259.10834	1.2
269.09387	2.6
269.12128	0.6
270.07596	0.5
271.10538	0.6
273.08679	1.6
287.10211	2.4
297.08658	1.1
315.09720	9.7
333.10876	13.0
333.15143	100.0
334.15396	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.8
55.05504	1.7
55.93302	1.0
55.93532	11.0
56.94297	3.0
57.07075	3.7
62.43169	0.7
63.17353	0.7
64.23325	0.7
67.05521	4.5
69.07074	1.6
69.35822	4.1
69.36241	2.6
70.95872	4.7
71.08627	2.9
71.93004	2.0
72.93798	13.6
73.24970	0.7
74.95342	0.9
79.05483	3.3
81.03428	1.2
81.07062	4.3
83.08602	1.1
85.10178	1.9
88.96887	1.5
89.06041	6.8
90.94843	7.9
91.05489	7.1
93.07040	3.1
95.04932	1.0
95.08614	2.3
98.20757	1.2
98.98488	5.7
105.07038	4.6
107.04953	1.3
107.08611	1.7
108.95855	3.9
109.10146	1.0
113.96381	1.8
113.97667	0.9
117.06989	0.9
119.08566	3.0
121.10117	1.3
126.98408	1.9
128.96353	2.3
129.06984	1.0
131.08546	1.6
131.98668	1.4
132.95885	1.8
133.10115	1.5
138.98395	1.3
144.95874	1.1
144.99509	3.5
146.97401	1.3
146.98936	1.2
149.91953	1.0
150.96904	0.9
150.98405	1.0
151.02060	1.6
151.09702	3.6
151.97661	1.2
154.97891	1.0
157.10162	0.9
162.96899	1.5
165.00005	3.9
165.97166	3.3
166.74316	0.7
166.97932	1.6
168.99493	1.8
170.97418	1.0
172.99042	1.3
178.97926	3.5
180.99590	1.1
183.01045	0.9
183.98218	2.0
184.99045	1.1
189.03584	1.4
192.99374	1.3
200.02766	1.1
201.03568	1.1
201.99237	0.8
213.03679	2.9
215.05197	1.7
221.02727	0.8
223.04175	0.9
226.04431	0.9
227.05154	2.9
229.05186	1.4
237.05727	1.5
241.05217	3.3
243.06944	0.9
254.02292	0.8
255.06700	1.3
264.08151	1.0
275.07303	0.8
278.09808	1.1
279.08340	2.1
281.09952	4.7
283.11392	2.6
329.12027	4.9
331.13541	9.6
333.15131	100.0
334.15311	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66750	1.1
53.03939	1.5
55.01878	15.6
57.03436	1.6
57.10021	1.2
61.02921	3.3
67.05528	1.2
68.99787	4.2
69.03429	6.5
69.45228	6.5
69.45634	2.3
71.01339	1.3
73.02923	2.3
77.59152	1.2
79.05501	9.9
81.03418	3.6
83.01379	1.0
85.02905	4.1
87.00848	10.5
91.05494	5.6
93.07079	1.6
95.04985	3.0
97.02911	8.0
98.98487	2.8
101.02361	1.6
103.05495	6.8
105.07040	5.9
107.04968	40.4
107.08656	1.2
107.86674	1.1
109.02890	2.5
109.10200	1.2
111.04414	1.3
115.03974	1.1
115.05485	5.6
117.07030	6.8
119.04950	3.5
121.02895	6.9
121.06533	1.9
121.10204	1.8
123.04459	3.1
128.06235	4.1
129.01869	2.5
129.07013	6.1
131.04944	92.2
131.08577	8.6
132.05740	1.2
133.06511	22.0
135.04393	4.0
141.06998	13.4
143.08624	1.7
144.05705	9.4
145.06505	40.6
145.10181	2.1
147.04425	10.4
147.08020	2.0
152.06252	1.9
153.07013	14.0
153.90407	1.2
154.07771	1.5
155.06036	3.8
155.08578	14.4
157.06508	33.4
158.07277	4.1
159.04434	46.4
159.08070	25.1
160.05049	1.4
161.06042	4.6
165.07030	39.3
168.05721	5.5
169.06500	8.0
169.07756	1.7
170.07251	1.5
171.08080	7.4
173.06007	27.0
173.09636	9.9
175.07610	1.7
181.06499	4.4
182.07378	2.1
183.08070	47.4
185.05988	12.3
185.09554	2.6
186.06764	1.2
187.07558	20.3
193.06511	3.5
199.07573	9.5
201.09134	30.8
203.07117	2.0
211.07564	84.6
212.08109	1.7
227.07001	1.6
229.08621	100.0
230.08887	1.7
247.09677	10.8
273.07648	1.1
315.08862	2.4
333.09732	19.2
346.87119	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13213	0.5
53.03940	0.7
55.01873	1.2
55.05503	3.1
57.03443	1.2
58.06591	0.7
58.19257	0.6
61.02918	0.9
67.05501	4.4
68.51739	0.6
69.03432	3.4
69.07069	2.5
69.50842	1.3
69.51249	3.4
73.02908	0.5
79.05495	1.0
81.03398	0.6
81.07055	2.0
83.08628	3.6
85.02903	6.2
91.05475	0.9
95.04945	0.6
95.07333	0.8
95.08615	3.7
96.08116	0.9
97.02882	2.1
98.98466	10.1
99.04415	0.9
100.98940	0.7
105.07039	1.0
107.08582	1.7
109.02874	1.0
109.10163	6.5
110.06020	0.9
110.09701	1.2
111.06814	1.5
112.07618	1.1
115.29300	0.6
119.04926	0.7
122.09685	3.5
123.08073	2.4
124.07598	2.1
124.11237	4.3
125.09634	17.2
126.69965	0.5
127.03930	1.1
136.41629	0.5
137.86845	0.5
138.09148	0.7
140.10710	62.5
147.04446	1.7
152.06165	0.8
152.10713	8.4
154.12262	4.2
167.08577	2.4
170.11775	100.0
171.12109	1.2
177.07001	1.3
194.07278	1.3
195.08089	8.5
199.07556	2.2
223.07547	44.4
224.07861	1.3
225.09082	1.2
227.07118	1.5
234.99057	0.7
251.07076	1.6
268.09766	1.0
269.08093	16.6
280.31613	0.6
286.10699	6.2
315.08719	2.0
332.11276	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	332.134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10370	1.6
53.03937	2.1
54.67295	1.8
55.01870	3.0
57.03429	2.7
61.02932	9.2
69.03436	18.0
69.86917	3.4
69.87305	5.6
71.04996	3.8
73.02914	3.7
73.97195	1.8
81.03439	9.8
82.73357	2.1
85.02908	100.0
91.03950	6.7
92.29870	2.0
97.02898	30.9
98.98483	10.3
99.04429	3.1
107.04962	29.0
109.02869	7.4
112.75938	1.7
127.03919	25.4
136.36481	2.0
145.04965	36.4
152.07118	2.9
153.05498	11.6
163.06013	5.8
170.08148	6.8
173.05942	2.3
180.08694	12.0
219.06470	3.9
332.13293	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	332.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.3
53.03938	2.4
53.81910	1.1
55.01870	3.3
55.05508	9.7
55.33126	1.0
57.03430	1.2
58.99583	3.8
59.04969	2.0
67.05506	16.0
69.07060	2.1
70.99743	1.1
71.01496	2.2
71.01813	1.2
71.04984	4.4
71.07088	1.2
76.02242	10.8
79.05057	2.0
79.05495	31.2
81.07059	21.3
83.04975	5.3
85.02917	1.1
85.06481	1.5
86.99059	3.0
89.39188	1.1
91.05482	44.2
93.07043	31.4
95.04964	3.6
95.08641	2.7
97.06505	1.9
98.98465	5.0
101.06005	3.0
103.05453	1.9
105.00082	5.9
105.07034	94.1
107.08589	17.6
109.06516	5.6
115.05447	2.0
116.06234	3.4
117.07043	2.9
119.04949	1.5
119.08585	34.6
121.10146	27.6
122.02730	66.5
128.06250	1.7
129.07013	15.1
131.08571	100.0
133.06522	1.5
133.10136	49.2
135.08084	1.2
135.11668	8.5
142.07832	6.2
145.10135	11.3
147.08069	4.0
147.11697	25.0
149.09610	11.4
157.10110	14.5
163.11194	18.1
167.10738	1.6
175.11192	57.2
181.12254	15.5
193.12244	29.2
332.15271	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1343
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03957	0.8
53.33261	0.6
55.79089	0.6
56.96569	2.1
57.03442	1.6
60.16482	0.5
61.02917	2.6
65.03959	1.0
66.72728	0.7
67.05515	3.3
69.03430	8.7
70.23722	1.5
70.24111	1.5
70.98112	0.6
73.02914	1.9
74.78004	0.7
79.05507	1.2
81.03419	1.5
85.02914	8.9
87.04465	1.8
89.03922	0.8
91.05462	1.1
96.08166	1.0
97.02921	4.2
98.21037	1.2
98.97594	4.5
101.00896	0.9
106.06567	4.2
108.08128	100.0
109.02882	1.5
110.97638	0.9
115.02401	0.8
116.98602	1.2
119.01928	1.5
119.04954	1.3
123.06836	3.9
124.07604	16.6
126.85584	0.8
127.03967	2.2
134.06030	20.1
136.07599	12.0
141.01373	1.9
143.01880	1.9
147.04427	2.8
152.07082	87.0
153.01396	0.8
153.07474	0.7
154.08635	1.8
161.02974	1.9
161.43018	0.7
163.03889	3.3
170.08142	23.0
187.00948	1.8
187.04308	0.7
201.00659	0.8
203.62341	0.7
243.07086	0.8
248.99242	1.3
314.12354	39.6
332.13425	53.1
333.13681	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.7
56.96560	7.7
57.03440	15.7
57.54066	2.0
61.02927	21.6
67.05515	3.6
68.91610	1.8
69.03432	45.3
71.04990	5.1
71.55290	2.5
73.02930	11.7
81.03425	10.0
85.02914	77.4
85.03432	3.8
86.03224	3.0
87.04491	4.5
91.03941	2.5
93.03396	2.2
97.02898	32.2
98.97598	11.7
99.04453	8.9
101.00885	8.7
102.00975	3.6
103.02419	3.3
106.06559	4.9
106.18741	2.3
108.08125	84.9
109.02888	9.4
110.97594	2.9
112.27287	2.3
113.00896	2.4
115.02420	4.2
116.98666	4.9
117.02003	2.8
119.01933	20.4
119.04980	2.7
120.01997	8.4
121.01653	5.8
121.20812	2.5
124.07585	15.4
127.03934	28.1
128.04247	2.1
128.98608	2.2
129.01985	2.3
129.03976	3.4
131.01907	8.7
132.01984	3.5
132.03459	5.0
133.03452	17.7
134.03693	3.0
134.06023	21.9
135.03091	6.5
136.07581	8.6
137.02951	2.5
142.01103	2.0
143.01907	7.9
144.03659	15.5
145.03487	6.8
145.04982	17.0
146.03630	2.6
146.04988	3.7
146.99632	2.8
147.03197	2.9
147.05103	3.7
151.04485	3.1
152.07077	100.0
155.01918	7.2
157.01591	2.6
157.03445	7.4
158.03603	4.4
159.04982	10.1
160.05211	3.0
161.02983	8.6
161.05551	60.7
161.55641	13.3
162.03375	2.3
163.02724	3.2
163.03909	11.3
170.06070	33.8
170.08141	35.6
170.56200	6.3
171.05124	2.7
171.06302	2.8
173.02895	9.7
174.03253	2.9
175.02760	3.0
175.04568	4.3
176.04694	3.4
177.00877	2.6
177.02420	3.7
177.06081	6.7
181.56857	6.5
183.05037	3.4
185.02777	4.6
186.03116	2.2
187.00893	5.3
187.04509	4.8
188.04759	2.3
189.00755	2.5
189.02336	2.6
190.03059	2.4
191.03941	2.3
195.07147	8.4
197.03023	3.4
198.03062	3.0
199.03616	3.9
201.00822	3.0
201.02638	2.3
203.04021	5.9
204.04298	3.2
205.01978	2.3
212.05287	2.5
219.01717	3.1
219.07199	25.0
220.04214	22.1
220.06955	7.0
221.05106	7.3
222.05186	3.4
229.04761	6.3
231.03618	2.5
231.07143	15.7
235.06712	9.9
236.06865	21.0
237.06421	4.5
240.55640	3.2
242.08290	16.7
242.58295	2.7
245.05127	8.0
246.05229	2.6
251.04388	6.8
251.08701	15.2
253.07736	5.1
254.07924	11.5
255.07362	4.9
261.08438	2.4
269.05438	6.7
273.08124	4.5
278.07355	2.8
291.09171	2.3
300.02725	5.9
304.05896	8.1
304.09195	3.6
310.66443	2.3
314.12302	32.8
321.10330	72.0
322.10660	12.3
332.05191	16.5
332.08942	5.7
332.13422	54.7
333.05984	3.5
339.11160	3.5
350.02826	2.8
350.06952	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2842
Annotation	Monopalmitin
Peak:m/z	Relative Intensity
50.05024	1.6
55.05513	13.0
57.03436	8.7
57.07080	100.0
57.32284	1.3
65.67126	1.5
67.05507	28.0
69.07079	17.3
69.37659	6.3
69.38089	6.5
70.06599	2.4
70.64694	1.7
71.08636	72.7
74.39841	1.4
79.05479	4.5
81.07062	33.0
83.08627	28.1
85.09708	2.6
85.10189	32.4
89.07904	1.6
91.05452	1.6
93.07053	3.1
95.08617	53.2
97.10169	12.9
97.49270	1.5
98.98473	85.8
99.08070	2.2
99.11792	2.4
109.10164	26.9
111.11731	4.3
116.86995	1.5
116.99510	3.0
119.51500	1.5
123.11704	10.5
127.14811	1.9
137.13280	4.6
139.14925	1.8
151.14781	2.4
174.99205	2.2
176.98927	5.9
221.22731	2.2
239.23738	19.7
257.24783	6.8
313.27393	61.4
331.08194	1.9
331.33990	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	9.4
57.03445	7.8
57.07077	100.0
67.05161	2.0
67.05505	24.8
69.07072	18.0
69.98885	5.9
71.08636	66.7
75.04470	2.6
81.07063	33.5
83.08618	26.3
85.10188	33.6
88.07629	1.3
95.08612	50.8
97.10172	10.6
98.98467	14.1
99.11700	3.3
109.10164	26.6
111.11758	2.7
111.13675	1.3
123.11705	8.5
125.13301	1.7
137.13266	4.2
151.14848	2.3
165.16283	1.5
188.71098	1.2
221.22670	3.3
239.23717	17.5
257.24808	8.3
298.60736	1.3
313.27411	49.7
328.42651	1.4
331.22647	1.5
331.34021	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	331.2842
Annotation	Monopalmitin
Peak:m/z	Relative Intensity
55.05524	10.6
57.03440	7.7
57.07080	100.0
67.05510	27.5
69.07081	15.1
70.06597	3.8
70.17525	8.1
70.17899	4.3
71.08639	68.2
75.04457	3.1
79.05476	3.3
81.07063	37.2
83.08633	30.1
85.06560	2.6
85.10185	35.4
88.07649	2.6
92.00659	2.3
95.08614	52.0
97.10178	10.3
98.98476	61.0
98.99117	3.8
99.11729	4.1
100.98889	2.5
109.10160	23.2
111.11720	5.8
123.11726	11.7
137.13275	6.5
151.14790	2.8
176.98955	5.4
204.73567	2.4
239.23674	19.4
257.24808	8.3
260.78592	2.2
313.27390	61.7
331.34079	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2843
Annotation	Monopalmitin
Peak:m/z	Relative Intensity
55.05500	13.0
55.32626	2.6
57.03440	5.7
57.07079	100.0
64.46435	2.7
67.05510	25.0
69.07055	15.8
69.80463	12.4
71.08636	58.6
71.27053	3.3
79.05513	3.2
81.07066	26.2
83.08630	28.4
84.55911	3.5
85.10190	36.9
95.08613	50.6
97.10168	14.5
98.20760	3.0
98.98476	8.6
109.10157	22.5
111.11739	5.9
123.11714	11.0
137.13264	6.7
159.58122	3.1
174.99199	3.3
239.23779	21.4
257.24707	8.4
259.90137	2.9
313.27347	56.1
331.34131	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	330.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.1
55.42476	0.7
61.14540	0.8
65.15855	0.7
67.03977	1.0
69.71588	5.2
70.06582	0.8
80.09511	0.7
85.02892	1.4
89.04840	0.8
91.05465	1.5
95.04960	1.1
95.38876	0.7
98.20830	1.1
98.21381	1.3
98.98476	100.0
99.98897	0.7
100.98907	2.1
103.03947	2.2
103.05453	1.9
105.07030	1.0
106.91551	0.8
107.04968	1.9
116.99508	2.5
119.04976	4.4
120.08103	3.6
123.04453	5.9
124.03933	1.7
130.06589	1.4
131.04915	1.4
135.04387	3.3
135.06822	2.2
136.07527	1.3
137.02309	1.2
139.03874	2.4
143.04933	2.2
146.06004	2.3
147.04431	7.0
149.05981	1.1
149.19888	1.0
150.05542	1.1
150.09138	1.9
161.05943	6.1
163.03923	22.4
165.05490	4.0
166.08662	1.6
168.01120	1.1
168.06561	1.5
168.10208	1.3
169.04999	1.4
171.04379	1.3
174.99232	4.5
175.03917	2.6
175.99527	1.4
176.98969	4.4
177.05527	1.2
177.99297	1.2
185.05908	1.5
189.05473	6.4
191.03369	0.9
193.04976	10.0
198.05247	1.1
203.07117	0.9
205.05045	1.1
207.06326	1.0
213.05533	2.4
217.04916	1.7
231.06509	2.5
235.06041	6.7
238.12251	1.5
249.07750	0.9
250.33850	0.9
259.06082	2.4
277.07043	2.4
281.39929	0.9
284.12894	8.8
295.08173	19.8
330.12985	3.5
342.53186	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2687
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
53.93052	2.0
55.05516	59.1
57.03187	2.1
57.03443	30.5
57.06821	2.5
57.07084	34.7
57.49770	1.5
59.04988	1.6
60.01039	1.5
60.04865	1.4
67.05172	2.2
67.05510	25.5
67.90244	1.9
69.07074	77.1
69.92965	6.0
71.04992	2.8
71.08646	16.9
73.06534	2.2
75.02307	1.6
75.04468	2.2
79.05496	11.3
81.07064	32.8
83.04980	4.1
83.08626	50.1
85.06546	3.4
85.10191	10.0
91.05483	2.1
93.07045	18.6
95.08614	28.6
97.06546	14.0
97.10177	30.2
98.51192	2.0
98.98469	38.2
101.06009	2.4
107.08596	14.8
109.10163	10.6
111.08123	9.2
111.11708	7.6
115.07555	2.9
121.10172	18.5
123.11720	7.7
125.09641	10.8
125.13286	2.7
135.11691	19.0
137.13246	5.8
139.11179	8.3
143.10693	1.7
149.13264	12.9
153.12724	6.4
159.49460	1.7
163.14879	7.9
167.14299	5.5
174.99231	3.6
176.98994	3.4
177.16422	3.0
181.15900	4.4
195.17514	2.8
219.21074	14.6
237.22163	15.3
241.55493	1.6
311.25790	13.0
329.26874	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1179
Annotation	Penicidone A
Peak:m/z	Relative Intensity
62.53946	0.3
65.03939	1.0
70.82290	0.7
76.55524	0.3
79.78329	0.3
81.69985	0.3
83.72552	0.3
89.89207	0.4
91.05484	12.0
98.98467	12.0
119.04948	30.2
134.86086	0.3
136.07591	0.8
147.04414	100.0
148.04735	0.8
173.14030	0.3
174.99255	0.6
188.03017	0.3
329.06375	0.5
340.41986	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26214	0.2
58.64237	0.3
65.03930	0.9
65.92581	0.3
66.04744	0.3
70.53751	0.4
70.54112	0.8
91.05487	11.7
95.21157	0.2
98.98472	16.3
103.05444	0.6
107.38020	0.3
116.99478	0.3
119.04952	28.6
122.03619	0.3
132.05258	0.3
133.06451	0.5
136.07588	0.7
137.05927	1.7
138.06303	1.3
147.04419	100.0
148.04749	0.8
151.07561	0.3
163.07552	0.9
164.07910	0.9
174.99251	1.2
176.98724	0.4
232.00694	0.3
243.83243	0.3
248.22061	0.3
248.53889	0.3
264.38031	0.3
266.65720	0.3
266.72269	0.3
299.29865	0.3
329.06555	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.8
53.03942	7.9
55.05498	3.0
57.07076	1.8
65.03945	1.3
67.05508	11.6
69.07067	4.0
70.69559	2.6
70.69906	1.6
77.03937	2.5
79.05493	9.4
81.03418	2.3
81.07059	10.2
83.04967	1.2
83.08611	1.8
91.05484	14.4
93.07053	22.5
95.04977	33.9
95.08611	16.5
97.06528	5.9
98.98473	100.0
103.05477	1.3
105.04512	3.6
105.07040	18.4
107.08600	12.0
109.06526	3.0
109.10176	6.4
116.99477	1.6
117.07005	5.3
119.08591	18.4
119.09375	2.0
121.06527	5.7
121.10133	10.3
123.08087	2.8
123.11723	2.0
128.06252	1.4
129.06985	3.0
130.07817	1.1
131.08572	8.0
133.10138	15.6
135.08063	3.5
135.11702	4.0
141.07007	1.6
142.07721	2.4
143.08578	6.7
144.09360	2.6
145.10121	13.6
147.11714	3.8
149.09628	1.9
149.13283	1.4
152.06216	19.6
153.07005	13.9
155.08577	2.4
156.09367	2.3
157.10149	11.6
158.10924	1.8
159.08076	1.7
159.11708	11.7
161.09613	5.8
161.13353	2.4
168.05717	5.0
169.06471	1.7
169.10150	5.3
171.08047	2.4
171.11687	6.1
173.13324	6.3
174.99258	11.6
175.14845	7.9
183.11711	2.9
185.13312	2.5
187.03075	1.4
187.11203	1.9
187.14809	4.9
195.06708	1.2
195.11653	2.1
197.13316	3.0
199.14899	3.0
200.15332	1.0
201.16380	1.5
209.13278	2.7
211.14958	1.7
215.02551	2.6
217.15927	1.6
221.13174	1.4
225.16400	1.7
227.08171	1.0
228.09406	3.6
229.10159	1.7
231.17429	1.4
233.03647	21.4
235.14854	1.3
251.04628	8.6
251.17914	1.4
253.15810	1.6
309.22253	3.4
327.07831	67.3
327.23239	5.4
328.08163	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	327.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81892	0.5
53.03948	0.8
55.05297	0.6
55.05519	5.2
57.03446	0.7
57.07059	0.5
67.05511	10.3
68.99790	2.3
69.07077	6.5
69.30544	4.4
71.05013	0.9
75.81045	0.6
79.05499	3.7
81.03401	0.6
81.07066	16.3
83.04996	0.9
83.08633	5.2
84.18439	0.4
85.06553	3.1
87.00842	0.9
91.05504	2.2
93.07057	3.3
95.04971	0.9
95.08616	29.7
97.06535	3.3
97.10177	1.5
98.21619	0.8
98.98478	25.4
99.08083	1.3
105.07068	2.4
107.08604	1.1
109.06474	0.7
109.10161	7.0
111.00834	3.7
111.04456	0.7
111.08066	0.6
119.08583	2.9
121.10162	1.7
123.08060	1.8
127.03904	1.4
133.10138	2.7
135.11671	1.2
137.09637	1.3
137.13286	2.5
139.03905	2.2
161.13281	9.6
167.07098	0.5
174.99289	3.1
179.14317	5.3
197.15384	3.7
215.16374	2.4
239.16431	2.0
281.17496	100.0
282.17868	2.4
296.61426	0.6
327.18164	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	326.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.2
55.05508	3.4
60.09482	1.4
67.05505	2.9
69.03443	4.4
69.43504	5.8
69.43916	4.4
70.06596	1.8
74.02454	2.2
79.05502	6.4
81.07057	2.4
83.08619	2.2
86.09717	60.0
86.10245	3.0
88.04010	8.9
91.05491	10.5
93.07054	9.1
98.98477	71.0
100.11254	5.2
103.05469	1.6
105.07055	8.1
106.70310	1.2
107.08605	19.6
109.06490	1.8
109.10172	2.7
112.07594	1.2
116.06283	1.4
116.99516	2.2
119.08588	5.6
121.10184	10.7
125.09636	1.8
130.08652	1.2
131.08583	30.8
132.10211	20.1
133.10153	5.5
135.04437	2.4
135.08067	37.2
137.05957	7.2
144.10201	6.4
149.09637	100.0
151.11244	2.2
159.08066	10.0
160.11237	8.4
163.07579	4.5
174.99258	8.6
177.09114	13.6
182.15460	3.3
188.10721	2.2
210.14969	1.8
214.16202	1.3
216.17502	6.0
243.67763	1.3
244.17003	22.7
262.18033	20.7
276.28772	1.3
280.19122	2.7
290.17624	11.5
308.18561	39.6
308.22134	2.3
326.19781	3.1
326.28204	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	326.0575
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	2.5
71.55263	2.3
93.02304	1.4
93.22302	1.4
93.61343	1.3
98.97590	6.1
98.98470	5.2
101.00883	12.9
101.88423	1.5
103.00642	4.4
116.98628	5.0
119.01934	59.3
119.02808	2.8
120.02031	8.9
121.01664	12.1
124.02422	2.5
134.99847	3.1
137.02959	20.7
138.03061	2.3
139.02699	3.1
142.03523	19.2
143.03697	2.1
144.03275	2.8
158.99832	2.0
160.04588	5.1
177.00974	23.4
178.01070	6.5
179.00760	11.3
180.00905	2.3
181.00465	3.9
214.95741	1.7
217.04082	2.8
219.01962	19.4
220.02184	4.3
221.01778	20.6
222.01898	4.1
223.01512	28.2
225.00919	1.6
236.00150	3.7
238.95517	9.2
239.95601	2.0
243.02098	10.3
256.96661	44.0
257.96780	16.7
258.96426	25.9
259.96463	4.7
260.00079	7.4
260.96475	3.5
261.03091	100.0
262.03152	11.5
263.02856	5.9
264.03061	2.0
269.26520	1.5
269.44894	1.6
272.94678	4.3
273.94727	2.9
274.94394	6.4
274.97751	11.4
275.04669	2.2
275.94327	2.0
275.97668	3.6
276.97604	6.7
277.95523	2.0
278.01227	5.3
279.98312	5.0
284.00162	20.8
284.04626	2.5
284.99860	5.3
286.00082	2.7
289.60681	1.6
290.92422	1.8
290.95636	3.1
292.95044	1.9
293.27502	5.6
293.60837	4.3
293.94342	2.3
294.94962	2.5
298.61401	1.9
298.94760	2.0
299.27945	7.6
299.61337	5.3
300.61288	2.7
300.95053	3.4
301.00995	4.2
301.28308	4.8
302.01251	28.7
302.97223	18.0
303.00949	6.9
303.04077	2.2
307.28622	2.8
308.92706	8.1
309.43170	6.1
309.92892	3.0
310.96078	5.2
311.46143	25.0
311.95911	18.9
312.46085	6.2
314.95792	2.6
315.95773	1.9
316.95804	2.4
317.93304	24.4
318.43445	15.3
318.93283	6.5
319.43307	2.0
320.43350	12.6
320.47284	7.1
320.93619	5.3
320.96597	5.6
321.43536	3.4
322.96973	4.6
326.94156	3.8
327.44016	4.8
327.93661	2.2
329.44275	15.4
329.94275	12.2
330.44070	9.3
337.92313	2.4
341.44989	1.8
344.02054	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	3.6
55.05520	15.3
57.03431	9.6
57.07067	8.8
67.05509	95.1
69.07071	15.9
70.97024	4.9
71.04983	6.2
79.05494	59.5
79.05961	3.0
81.07061	100.0
83.08629	6.7
85.06544	9.1
86.60105	1.9
91.05487	27.0
93.07052	71.9
95.04956	6.6
95.08614	65.3
97.06539	4.9
97.10164	2.3
99.08094	8.3
105.07035	23.5
107.08603	39.9
109.04714	2.1
109.06544	5.7
109.10165	37.9
111.08061	3.3
113.09639	3.5
117.07001	13.6
119.08591	20.7
121.10143	52.2
123.11723	27.0
125.09639	3.4
131.08565	25.4
133.10135	26.2
135.08014	2.9
135.11702	59.9
137.09601	3.5
137.13234	6.9
139.11200	2.7
143.08542	2.7
145.10126	22.3
147.11726	13.8
149.09612	2.4
149.13263	25.8
157.10225	2.1
159.11708	21.2
160.12160	2.1
161.13293	4.6
163.11195	3.4
171.07082	2.2
173.13278	16.7
177.12794	2.9
187.14813	7.4
193.49867	2.1
205.15892	3.3
205.19455	15.7
215.17958	51.4
233.19022	72.2
242.75256	2.1
251.20067	6.6
307.22742	11.0
325.23935	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	325.2376
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
53.03946	1.8
55.01863	3.2
55.05518	22.7
57.06832	1.5
57.07083	15.0
65.59718	1.3
66.58964	1.6
67.01855	2.9
67.05511	12.9
68.99796	19.5
69.03439	2.8
69.07069	33.2
70.62609	2.7
70.62982	2.4
71.08625	6.1
79.05503	10.2
81.03410	1.3
81.07072	17.3
83.04987	6.4
83.08628	19.9
85.02905	1.7
85.10181	3.2
87.51418	1.3
91.05473	3.6
91.52600	1.1
93.07053	15.1
95.04984	3.1
95.08625	11.4
97.02865	3.1
97.06543	10.6
97.10170	11.0
98.04846	1.1
105.07044	3.5
107.08598	10.8
109.10160	8.7
111.00816	45.4
111.04474	8.7
111.08068	5.8
111.11717	4.0
119.08609	2.9
121.06506	3.3
121.10143	12.0
123.08092	1.8
123.11738	3.1
125.05994	3.6
125.09615	3.6
126.03127	4.2
127.03918	15.6
129.49051	1.3
130.25858	1.5
131.08571	2.5
133.10141	2.7
135.08029	3.0
135.11699	7.7
137.09624	2.0
137.13197	1.2
139.03906	31.0
139.07530	3.1
145.10031	2.9
147.11647	1.7
149.02362	2.2
149.09624	3.9
149.13264	4.1
153.05489	1.5
153.09157	2.2
153.12740	1.7
157.08566	1.4
159.11658	2.2
161.13232	1.4
163.11230	3.3
163.14842	2.7
167.07077	3.2
167.10638	2.7
171.10196	2.5
177.12782	1.6
180.94701	1.5
181.08662	6.8
181.12245	3.2
185.11775	1.6
191.14409	1.4
193.04993	4.8
195.08492	1.3
195.10143	7.4
195.13890	1.9
195.37556	1.5
205.19579	1.9
209.11728	10.8
209.15407	1.6
213.14905	1.4
223.13258	17.3
223.20564	1.4
224.65663	2.6
229.19569	2.2
237.14775	16.0
247.20607	2.1
248.24963	1.4
251.16411	16.8
265.18021	14.6
265.21594	6.6
283.19177	6.3
283.22476	1.7
307.22696	100.0
308.23169	2.0
325.17950	1.8
325.23480	19.1
325.26749	3.5
325.76193	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	325.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.9
55.05516	16.5
56.54956	1.9
57.03439	6.5
57.07082	13.6
59.91256	1.6
65.03952	4.3
67.05511	97.2
69.07075	14.0
70.48357	6.4
71.04997	9.5
71.08613	3.1
75.04480	2.3
79.05499	78.0
81.07064	95.1
83.04997	3.3
83.08620	10.2
85.06564	6.7
91.05481	35.0
93.07053	100.0
95.04975	7.7
95.08614	63.8
97.06540	5.8
99.08079	10.8
105.07037	25.6
107.08604	53.8
109.06559	2.9
109.10158	42.8
111.08079	3.8
113.09667	6.1
117.07029	14.9
119.08582	22.1
121.10155	64.3
123.08077	3.1
123.11717	30.2
125.09613	3.6
131.08571	32.9
133.10139	26.3
135.08101	2.1
135.11699	72.1
137.09647	1.9
137.13287	6.3
139.11191	3.2
143.08571	2.3
145.10124	24.8
147.11708	17.9
149.02336	2.4
149.09630	3.6
149.13271	32.7
151.11336	2.6
159.11714	24.6
161.13274	5.9
163.14784	3.6
173.13292	19.6
177.12778	2.7
187.14873	5.1
189.16481	2.8
191.14305	2.6
191.18005	3.0
193.05052	4.2
205.15959	3.1
205.19513	15.6
215.17966	69.8
217.19547	2.4
233.19023	87.1
251.20114	3.8
307.22760	5.5
325.23459	21.9
325.76236	2.8
327.16183	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69294	1.2
53.03943	3.8
55.01870	1.9
55.05515	15.0
57.03438	8.4
57.07091	8.8
65.03941	3.2
67.05511	94.2
69.07065	10.5
69.46555	10.4
71.04976	5.8
75.04494	1.8
79.05501	62.3
81.07063	100.0
83.04987	1.9
83.08619	7.1
85.06552	6.4
87.40348	1.2
91.04898	1.3
91.05483	29.9
93.07053	79.1
95.04974	5.0
95.08614	65.5
95.09239	2.1
97.06522	5.4
97.10168	1.3
99.08107	7.0
105.04492	1.5
105.07040	21.0
107.08603	39.8
109.06507	2.8
109.09454	2.3
109.10165	37.6
111.08072	2.4
111.40721	1.3
113.09638	3.7
117.07033	14.7
119.08589	18.1
120.99437	1.2
121.10148	55.1
123.08079	2.0
123.11716	29.5
125.09581	2.5
131.08583	26.4
133.10138	26.1
135.08072	2.2
135.11700	57.8
137.09673	3.1
137.13290	6.2
145.10130	17.1
145.76813	1.3
147.11682	12.5
149.09566	2.6
149.13272	27.3
151.11212	2.4
159.11699	17.8
161.13258	5.5
163.11238	2.1
163.14862	2.4
173.11884	2.4
173.13258	18.2
174.36852	1.3
175.14882	2.3
177.12753	2.9
187.14806	4.1
189.16367	3.4
191.14275	1.4
191.17972	2.7
205.15936	3.6
205.19522	14.7
215.17973	56.3
233.19023	69.2
234.19412	1.6
251.20201	7.0
307.22772	10.0
325.23737	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.201
Annotation	Marrulanic acid
Peak:m/z	Relative Intensity
55.05518	13.5
56.96563	4.7
57.07061	4.7
57.56665	1.5
61.52753	1.3
66.90334	1.4
67.01861	1.6
67.05516	10.2
68.99799	8.0
69.07072	15.3
70.52225	1.5
71.08607	1.9
71.18813	2.9
76.90962	1.4
78.81383	1.6
79.05489	4.8
81.07061	10.6
83.04979	3.2
83.08639	6.8
91.05477	1.5
93.07057	7.0
94.04203	2.9
95.04945	1.8
95.08619	9.3
97.06519	4.8
97.10181	4.5
107.08616	6.5
109.10146	4.5
111.00807	27.4
111.04438	6.3
111.08051	2.2
119.08614	1.9
121.06475	1.4
121.10117	8.8
122.03642	4.1
123.11730	1.6
125.06010	2.9
125.09615	1.4
127.03902	7.7
135.11679	4.7
137.05984	50.8
138.06296	2.2
139.03894	13.4
139.07591	2.3
145.10210	1.7
149.13298	1.9
159.11690	1.7
159.87010	1.6
167.07150	1.5
167.10631	1.9
171.09967	1.3
180.57753	1.7
181.08537	2.2
191.17969	2.6
195.10246	2.5
198.01959	1.5
209.11711	5.5
223.13335	4.3
224.09538	2.2
226.11118	15.3
237.14841	2.7
237.18484	6.0
244.12221	5.2
265.17935	2.3
279.19577	33.4
289.17984	1.7
292.02847	1.4
307.19055	100.0
312.14075	1.5
325.18051	7.1
344.15344	8.3
345.15778	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2011
Annotation	Albocycline M-1
Peak:m/z	Relative Intensity
53.32570	1.0
55.01880	2.0
55.05520	9.6
56.96567	4.9
57.07067	3.9
60.58524	1.0
66.04219	1.0
67.01894	1.7
67.05512	5.7
68.99800	8.7
69.07071	11.4
71.08627	1.7
71.10923	2.6
73.04490	1.1
79.05497	4.7
81.07056	8.4
83.04984	3.0
83.08635	7.6
91.05454	2.8
93.07079	6.5
94.04186	3.0
95.04940	1.4
95.08618	8.2
97.06534	4.0
97.10170	4.9
105.07037	1.6
107.08592	4.5
109.06548	1.7
109.10178	3.2
111.00806	21.8
111.04448	4.1
111.08125	2.3
111.11739	1.9
119.08597	1.4
121.06495	1.8
121.10170	6.4
122.03656	5.2
125.06002	2.9
125.09617	1.5
127.03952	7.2
135.07996	1.8
135.11691	4.6
137.05992	46.7
137.43846	1.2
138.06349	2.1
139.03922	14.0
139.07564	2.1
145.10118	1.6
149.09592	1.1
153.05516	1.6
153.09091	1.8
153.12790	1.4
154.36224	1.0
159.11694	1.3
167.07060	1.1
167.10684	1.5
177.16431	2.3
180.57799	2.1
181.08607	1.5
187.14813	1.6
191.18068	1.3
195.10155	3.1
199.13278	1.6
209.11736	4.6
223.13246	3.9
224.09575	2.5
226.11174	16.0
227.11455	1.3
237.14902	1.3
237.18489	5.3
243.56281	1.3
244.12242	4.5
265.18082	3.5
279.16824	0.9
279.19598	28.0
307.19052	100.0
316.26154	1.2
325.17996	6.5
344.15317	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	325.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71857	0.3
53.03960	1.9
55.01880	2.2
57.03440	2.6
59.04997	0.7
61.02925	1.0
69.03436	15.6
69.90156	1.8
71.01331	0.7
71.05000	5.1
73.02911	0.7
81.03425	18.1
82.86115	0.4
87.04453	0.5
91.05475	1.1
99.03840	0.5
99.04463	5.7
109.10118	0.4
116.04989	0.6
117.05488	1.4
118.06554	6.5
120.08115	0.6
121.76657	0.4
145.07619	8.1
147.09183	8.8
151.03827	0.5
157.06491	0.4
159.51825	0.4
161.07060	0.4
162.07884	1.5
163.03926	2.5
163.08655	1.2
173.07117	12.2
175.08684	6.7
183.10185	0.4
190.07277	0.5
191.08173	100.0
192.08540	1.1
205.09784	0.7
215.11855	0.7
231.11346	0.7
233.09184	1.7
271.10840	0.5
289.11920	2.2
307.12912	31.5
308.13297	0.5
325.13968	22.4
332.99509	0.4
334.59274	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	10.0
56.96568	38.4
57.03446	23.4
61.02643	6.1
61.02933	99.9
66.84530	4.4
67.28338	3.3
69.03440	25.4
70.98110	5.8
71.01364	4.3
71.04987	8.1
71.55396	4.0
73.02905	12.1
81.01035	3.2
81.03410	19.0
82.37904	3.6
84.96031	7.8
85.02913	48.2
86.03727	4.4
87.00828	4.0
89.03899	5.0
89.06016	6.6
97.02876	9.8
98.97580	32.8
99.04474	9.0
99.88573	3.9
100.97166	3.4
101.00886	5.9
101.02351	4.2
109.02873	12.3
110.01300	3.9
110.97586	8.1
113.02386	6.6
116.98620	14.4
117.02015	9.8
119.01905	21.5
119.04957	11.6
121.01634	7.1
124.79839	3.6
126.02596	16.2
127.03926	21.8
128.02298	9.4
128.98592	8.3
129.02058	3.6
131.00183	9.3
133.03474	4.0
134.99738	4.0
135.03113	46.4
135.04123	5.6
135.53291	5.2
138.01675	4.0
138.94235	3.2
139.01512	3.3
143.00208	7.0
143.01965	6.4
144.03639	82.3
144.53716	4.9
145.01669	7.2
145.03506	4.5
145.07613	7.5
146.02420	4.1
146.99673	5.0
147.04391	36.5
150.01743	5.0
151.04381	7.6
152.02272	3.6
153.04118	7.5
154.04753	16.1
155.54468	4.1
157.01707	9.1
157.03517	3.7
158.99629	5.8
161.01190	4.2
163.02745	5.2
163.03951	22.9
163.05287	6.6
163.08627	6.0
169.02528	7.8
171.05078	4.4
174.99156	7.6
175.02753	8.7
176.97414	4.5
177.00768	9.3
177.02258	4.2
177.04112	5.5
178.03075	8.5
182.04181	5.9
183.02351	4.7
185.03902	10.4
189.04158	4.0
190.03047	6.6
194.54697	3.6
194.98376	4.4
197.02933	6.4
198.04745	5.1
199.03624	22.1
204.02728	9.0
205.00336	5.1
205.05553	7.1
208.04208	5.6
212.05348	5.1
212.55394	9.3
213.03403	15.7
213.05309	6.9
214.06013	4.0
217.05710	6.8
219.01884	10.4
220.02341	3.7
220.04170	100.0
220.54373	8.4
222.05786	7.5
228.05757	12.0
228.52351	4.5
229.04684	65.6
229.54973	5.4
233.03346	4.2
234.03642	10.4
235.06824	14.0
236.06761	11.9
237.06442	7.5
238.05157	10.1
240.55313	6.3
241.05620	5.6
251.04512	28.9
253.07867	4.5
255.07425	4.2
258.99951	8.9
263.00790	3.7
269.05566	35.8
283.00021	17.3
293.05676	7.9
301.01120	21.5
304.05780	4.2
307.08746	16.4
319.03180	8.8
323.06662	4.3
325.13947	6.6
333.05240	5.0
347.02856	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	324.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.2
60.16130	1.1
61.02906	2.5
64.87315	1.2
67.05520	6.4
67.05815	1.4
69.03440	2.2
69.52779	3.9
69.53191	5.0
71.04963	1.3
79.05480	2.2
81.03385	2.0
81.07061	14.0
83.71664	1.2
85.02431	1.6
85.02910	15.4
85.06547	100.0
86.31448	1.1
91.05465	1.7
97.02893	3.5
98.21461	2.7
104.25156	1.1
107.51696	1.2
109.06508	9.5
114.08796	1.3
115.03856	1.2
127.03914	3.2
127.07565	83.7
134.06035	1.7
135.04425	1.2
145.04913	1.9
145.08620	2.6
147.04393	2.5
148.04826	2.0
163.03897	5.2
195.11336	1.4
294.24103	1.5
317.26740	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77500	1.1
57.03414	1.0
61.02931	1.4
67.05506	6.4
67.08285	0.9
68.12592	1.1
69.03431	3.2
70.92161	0.9
70.96668	1.3
70.96996	1.8
72.25654	0.9
79.05486	2.5
81.03427	1.1
81.07070	13.4
85.02916	12.5
85.06549	100.0
86.06880	1.2
97.02905	4.1
109.02872	1.5
109.06522	7.1
116.71188	1.0
119.55960	0.9
127.03952	2.4
127.07567	85.6
135.04434	1.6
135.60994	1.2
145.04959	2.4
145.57420	1.2
163.03917	7.8
192.03873	1.3
220.52380	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.3
61.02940	0.4
63.42826	0.3
67.87627	0.3
69.03423	1.4
70.89548	0.6
71.05009	1.3
72.05340	0.3
79.05511	0.4
81.07050	0.6
85.02894	2.4
85.06573	0.4
89.03940	0.4
91.05498	0.7
95.04994	0.6
96.05305	0.3
96.23433	0.3
97.02915	0.7
98.21175	0.5
105.03375	0.3
106.06566	0.9
107.04981	0.9
109.06561	0.4
111.04471	0.7
113.06042	0.5
114.06397	0.4
116.04973	1.5
117.03284	0.3
119.04946	0.9
120.05295	0.5
121.02840	0.6
122.06065	0.4
123.06346	0.4
127.03908	0.7
127.07552	1.4
131.05022	0.3
134.06013	3.6
134.06938	0.4
135.04424	0.7
136.07562	0.4
140.07071	1.4
141.07393	1.1
144.04446	0.3
145.05040	0.3
145.08615	0.8
147.04424	2.2
147.06258	0.3
147.12823	0.3
148.04765	1.4
149.06110	0.3
156.06590	0.7
157.06905	0.4
162.05513	100.0
163.03909	2.7
163.05858	1.0
175.03825	0.3
176.06946	0.5
184.06052	1.9
185.06400	2.5
194.10013	0.3
204.06589	1.5
261.09424	0.4
276.08725	0.5
279.10434	0.3
282.11594	0.5
324.10464	14.7
346.75845	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1058
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12863	0.9
56.36222	1.0
57.73112	0.9
69.64700	1.7
69.65112	3.7
70.06576	0.8
71.04984	4.4
72.05312	2.1
85.02911	2.0
85.06535	1.9
91.05477	1.0
95.04980	1.4
97.02869	1.1
98.55139	1.0
107.04963	2.1
110.06014	1.3
111.04468	1.4
112.04763	1.4
113.06021	1.5
114.06316	0.9
119.04932	2.2
120.08070	1.5
121.02858	1.1
122.06007	3.3
123.04456	0.9
123.06396	1.1
127.07539	3.9
134.05154	1.0
134.05995	6.2
134.06837	1.0
140.07077	3.8
141.07391	3.3
141.77228	0.9
145.02853	1.4
147.04440	4.8
148.04755	4.8
148.07579	1.4
156.06561	3.4
157.06906	2.0
159.32483	1.0
162.05502	37.6
163.03896	3.9
176.07040	1.1
184.06058	8.7
185.06442	9.2
190.08276	0.9
192.93802	1.0
204.06631	2.9
218.05316	1.1
276.08575	4.4
279.10724	1.4
282.11423	0.9
324.10507	100.0
325.10611	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1057
Annotation	Tazarotenic acid
Peak:m/z	Relative Intensity
51.53711	0.6
59.10496	0.6
63.01626	0.5
71.29128	1.1
79.05485	0.8
81.07042	1.6
85.02914	1.1
85.06552	3.1
91.05497	0.9
92.05824	1.1
95.04935	0.9
97.02854	0.8
105.07082	0.6
106.06593	0.8
107.04964	1.1
108.05315	0.8
119.04932	2.1
120.05323	1.4
121.02922	0.8
127.07567	6.4
133.02856	0.7
133.06500	1.3
134.06017	2.3
137.06084	0.6
145.08572	0.7
147.04440	5.2
148.04771	6.0
161.02280	0.7
161.05972	0.9
162.05405	4.4
163.03937	1.2
189.05482	0.7
190.05817	1.1
200.04344	0.8
204.06633	0.6
218.05269	1.9
264.05835	2.4
324.10562	100.0
325.10849	2.0
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	Rapanone
Peak:m/z	Relative Intensity
53.03936	0.4
55.01880	0.8
55.05263	0.7
55.05517	11.1
57.03425	0.6
57.07080	2.5
59.05000	0.5
65.03950	0.5
67.05511	13.8
68.99791	1.8
69.07073	15.1
70.17374	1.7
71.05000	5.4
71.08620	1.4
79.05504	3.1
81.03418	1.2
81.07063	22.8
83.08626	13.7
83.51082	0.4
85.02913	1.8
85.06562	2.0
85.10199	0.7
87.00837	1.2
91.05494	1.4
92.87445	0.4
93.07053	3.6
95.04988	0.8
95.08614	31.7
97.06533	0.8
97.10182	10.8
99.08096	0.9
105.07034	1.7
107.08578	2.7
109.10165	19.6
110.10390	0.4
111.00793	1.4
111.11726	3.8
113.09660	0.7
115.11174	0.6
119.08597	1.4
121.10149	6.3
123.04457	0.4
123.11715	8.6
125.09665	1.0
127.03934	2.5
127.11232	0.4
129.12750	1.3
133.10117	1.3
135.11687	1.4
137.09698	0.6
137.13269	4.0
139.03938	0.6
139.11205	0.8
147.11697	1.7
149.13239	0.7
151.11189	0.5
161.13310	1.0
163.14803	0.5
165.12729	0.4
193.19598	3.2
203.17920	3.7
211.20609	1.2
221.19037	2.4
239.20082	1.3
255.23268	0.4
257.21136	23.4
263.16577	0.4
281.17529	1.2
281.21143	4.0
305.32758	0.4
323.22180	100.0
324.22522	1.1
331.40756	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.222
Annotation	Vitedoin B
Peak:m/z	Relative Intensity
55.01873	5.2
55.05502	5.8
57.03440	27.5
65.03951	1.5
65.83531	1.4
66.00796	1.3
67.05505	30.5
69.07078	6.1
70.28169	1.6
70.28539	5.5
71.04985	4.5
71.48211	1.3
79.05504	13.9
81.03423	2.3
81.07065	21.5
83.04977	6.2
83.08614	5.6
85.02888	1.7
85.06550	26.4
86.08057	1.3
87.40673	1.4
90.70599	1.3
91.05488	13.6
93.07042	14.1
95.04978	36.1
95.08602	12.9
97.06519	2.2
97.10181	3.4
105.07047	6.4
105.77682	1.5
107.04942	3.4
107.08619	9.0
109.06525	28.0
109.10170	5.6
111.04443	5.8
111.08092	2.1
113.06017	100.0
117.07019	5.0
119.08565	8.6
120.57624	1.5
121.06478	3.0
121.10152	4.2
123.08086	3.1
123.11673	1.6
125.09629	1.4
128.06274	1.7
128.59677	1.3
129.07043	4.6
131.08560	9.9
133.10109	4.6
135.08063	24.0
135.11708	5.3
137.09689	2.5
143.08542	5.0
144.66841	1.3
145.10126	7.0
147.08046	4.3
149.09628	3.2
149.13217	2.5
153.12773	3.4
157.10149	2.4
159.11694	2.6
161.09637	2.4
163.11217	5.9
165.09212	1.7
171.11752	2.3
175.11308	1.5
177.12766	1.4
181.12268	4.6
184.39581	1.4
185.13205	1.4
191.10707	3.6
198.72757	1.9
199.14900	2.5
201.12881	2.3
217.15894	5.9
227.12846	5.2
245.18855	1.4
273.18478	15.7
291.19553	51.3
305.21152	4.1
323.25803	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	323.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.1
53.70056	2.0
55.01886	13.3
55.05267	2.7
55.05517	41.0
57.03430	6.8
57.07076	4.7
65.03922	4.2
67.05508	84.0
67.05869	4.2
67.89726	2.4
69.03430	7.6
69.07072	26.2
69.32188	2.3
71.04968	3.6
73.06563	3.1
78.12871	1.9
78.76936	2.0
79.05061	3.0
79.05499	55.9
81.03416	7.6
81.07061	100.0
83.01341	4.1
83.04987	48.5
83.08632	13.4
85.06544	10.6
91.05487	56.1
93.07053	62.9
94.74956	2.0
95.04982	19.3
95.08617	45.3
97.06533	13.1
97.10180	5.1
98.20795	5.9
99.04496	2.5
99.08065	3.2
103.05494	2.6
105.06381	3.8
105.07042	56.1
107.04968	15.1
107.08603	57.2
109.02911	2.9
109.06527	14.1
109.10163	53.9
111.04456	10.8
111.08118	12.9
112.77490	2.3
117.07018	12.5
119.08583	24.8
121.06533	13.0
121.10158	18.6
123.08107	12.9
123.11690	14.2
125.09642	3.4
127.07571	3.0
128.06235	4.6
129.07018	8.2
131.08565	19.0
133.06526	12.1
133.10139	82.1
135.08051	10.8
135.11691	9.3
137.06006	4.8
137.09627	6.6
139.07588	10.3
141.08997	2.1
143.08575	8.5
145.10114	12.6
147.08092	10.5
147.11722	8.1
149.09669	12.2
151.07574	2.5
151.11191	70.4
157.10121	7.7
159.08031	5.2
159.11711	8.2
161.09581	15.4
161.13226	4.7
162.02483	2.0
163.11160	6.1
165.09158	4.1
165.12691	2.4
169.10170	3.4
171.11731	7.2
173.09625	4.1
173.13277	2.3
175.11214	9.6
177.09128	10.2
177.12756	3.1
179.10696	6.8
180.00081	2.1
181.12254	2.3
183.13828	21.3
185.13327	5.8
189.12773	6.5
191.14388	2.2
207.13844	5.1
217.12163	2.6
227.17896	5.7
233.15297	2.7
245.19057	22.4
255.17413	5.2
263.20258	14.3
273.18515	43.7
291.19559	63.3
305.21301	13.8
323.22195	35.9
323.25870	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	323.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.3
55.01863	5.1
55.05515	29.0
62.06082	3.0
67.05512	15.7
67.15472	1.7
69.03414	3.7
69.07078	12.4
70.00342	6.5
72.66048	1.8
79.05500	14.6
81.03463	2.1
81.07070	16.6
83.04974	3.0
83.08619	10.4
91.05495	11.6
93.07043	13.7
95.04995	4.4
95.08639	8.5
97.10183	22.7
105.07039	8.6
107.08617	8.2
109.06471	2.7
109.10155	4.7
117.07018	3.6
119.04913	2.2
119.08588	9.0
121.06527	2.5
121.10164	4.7
123.08074	4.2
125.09645	21.4
129.07062	1.9
131.08580	5.2
133.06470	3.5
133.10023	1.9
135.08081	7.5
137.09621	2.9
143.08542	2.5
145.10143	3.2
145.36491	2.0
146.86105	1.7
147.08092	3.1
153.09131	2.9
157.10121	2.5
161.09616	2.3
165.09109	2.1
176.33936	2.0
203.12784	10.0
215.12492	1.7
223.13313	11.0
223.15109	2.0
237.14964	2.0
265.82477	2.0
273.18478	9.3
291.19568	100.0
292.20044	2.1
305.21146	23.8
323.22253	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	323.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.4
55.01875	12.9
55.05514	43.7
57.03431	5.8
57.07067	4.1
57.56364	1.3
59.04993	2.5
65.03928	4.4
67.05508	76.3
69.03442	8.8
69.07069	28.5
71.04985	5.2
71.08647	1.5
71.57433	2.0
73.06525	1.6
79.05499	58.7
81.03410	5.0
81.07062	83.0
83.01335	6.7
83.04984	40.3
83.08630	14.9
85.02924	2.8
85.06540	9.1
91.05483	67.3
93.07047	69.9
95.04976	18.6
95.08612	51.0
95.09233	2.1
97.02876	3.9
97.06535	16.6
97.10191	7.7
99.04494	2.2
99.08076	3.5
105.07036	55.6
107.04953	12.5
107.08601	43.6
109.02856	1.8
109.06532	16.5
109.09452	2.8
109.10164	45.8
111.04453	9.4
111.08089	16.4
115.05460	3.4
117.07012	14.0
119.04982	2.2
119.08598	26.8
121.06513	23.9
121.10157	18.2
123.04428	5.8
123.08050	8.5
123.11709	14.5
125.05995	6.7
125.09608	2.5
127.07561	3.3
128.06203	3.5
129.06981	8.2
131.04967	1.5
131.08583	16.0
133.06508	13.8
133.10133	74.0
135.08054	14.2
135.11694	12.7
137.05992	6.0
137.09613	6.1
137.13158	1.5
139.07532	13.7
139.11224	2.8
142.07784	1.9
143.08575	13.4
145.06390	2.7
145.10168	14.5
147.08058	18.7
147.11716	13.1
149.09639	13.7
149.13249	4.7
151.07564	2.8
151.11186	55.7
153.09006	1.7
153.12686	2.1
155.08589	1.6
157.10141	6.3
159.08104	4.0
159.11697	8.0
161.09657	17.7
161.13252	5.2
163.11172	6.5
165.09117	4.5
165.12784	3.0
167.10703	2.5
169.10190	1.6
171.08086	1.6
171.11737	8.5
173.09682	3.2
173.13243	2.1
175.11188	10.2
177.09074	5.6
177.12770	3.7
179.10660	11.5
179.14316	2.7
181.08586	1.7
181.10101	2.1
181.12250	2.4
183.13823	19.3
185.13239	3.7
187.11153	2.7
189.12720	7.7
195.11705	2.1
199.11252	4.3
199.14842	1.7
203.14351	3.8
207.13812	4.6
211.13231	2.6
213.12796	2.5
217.12253	4.9
219.13910	2.7
223.13226	4.5
227.17876	3.9
229.14354	2.4
235.13234	2.7
235.17068	1.8
237.16434	2.0
245.19032	18.3
255.17474	6.4
263.20044	23.2
273.18494	45.9
291.19556	100.0
305.21045	9.7
323.18668	2.3
323.22263	38.5
323.26056	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	323.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.9
55.05511	17.1
57.07073	4.7
59.04997	4.4
61.26005	2.1
67.01237	2.0
67.05510	28.6
68.99780	2.6
69.03419	6.5
69.07072	28.4
71.04987	7.2
71.14160	3.5
71.14479	2.5
71.17868	1.8
79.05507	16.3
81.07067	42.7
83.04976	8.2
83.08621	12.7
85.02884	2.3
85.06541	5.9
87.32826	2.1
91.05481	17.8
93.07057	23.4
93.32482	2.0
95.05006	4.7
95.08611	40.6
97.06556	9.8
97.10183	10.4
99.08102	4.0
105.07036	26.2
107.04958	3.7
107.08592	20.0
109.02933	2.0
109.06529	8.6
109.10172	23.1
111.04401	2.9
111.08080	6.7
111.11729	4.3
113.05992	3.4
117.07037	5.6
119.08579	25.2
121.06535	2.3
121.10155	15.7
123.08067	12.6
123.11703	14.9
125.06005	46.9
125.09641	2.7
126.00760	1.9
126.06750	4.2
126.74328	1.8
127.03927	60.1
129.07030	4.9
131.08575	7.0
133.06482	3.3
133.10146	21.0
135.08060	4.3
135.11707	10.6
137.06001	4.9
137.09601	6.2
137.13255	4.6
139.07532	4.0
139.11180	6.8
141.05457	3.4
142.07809	2.8
143.08554	7.0
145.10138	9.8
146.87035	2.3
147.08080	5.7
147.11697	15.1
149.05946	3.2
149.09654	4.9
149.13283	6.8
151.07568	6.1
151.11160	4.1
153.05510	5.3
153.12733	2.8
154.06219	3.3
157.10127	7.4
157.12289	3.0
159.11699	7.9
161.09618	7.2
161.13284	8.1
163.07574	4.1
163.11227	3.3
165.05479	6.3
165.09166	11.0
165.12779	2.4
167.07028	2.2
167.10635	2.6
168.03645	1.9
168.98039	2.1
169.10114	2.2
171.11707	8.0
173.13257	5.5
175.07574	4.4
175.11171	5.0
175.14998	2.4
176.96974	4.8
177.09082	2.5
179.10692	3.5
179.14264	2.7
185.13292	3.5
189.09120	2.3
189.12781	5.1
189.16457	5.5
193.08609	24.7
193.15985	2.4
199.14880	6.5
203.14432	2.6
203.17851	2.4
213.05444	2.0
213.16373	8.5
215.14441	3.4
217.15889	6.4
221.15396	3.6
231.17496	16.5
235.17056	4.6
241.15932	5.6
245.15417	6.9
249.18500	3.8
259.16922	13.4
263.16440	83.5
269.15430	5.2
277.18015	26.2
287.16498	14.6
294.01117	2.1
295.19107	5.0
305.17517	50.0
305.24625	3.8
323.09088	3.7
323.18558	100.0
324.18994	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.8
54.60558	0.9
55.01855	1.9
55.05514	12.5
57.03429	1.7
57.07069	2.9
59.04974	1.1
62.30360	1.0
67.05512	13.0
68.99779	1.0
69.03416	3.6
69.06730	1.8
69.07075	23.2
70.54126	1.1
71.04996	7.1
71.08599	1.0
71.56505	1.6
71.56872	1.1
79.05495	9.5
81.03468	1.3
81.07063	37.0
83.01385	1.2
83.04974	4.5
83.08620	9.3
85.02877	1.1
85.06527	2.1
91.05479	6.2
93.07057	12.6
95.04955	3.1
95.08611	34.3
95.21136	1.0
97.06563	5.2
97.10188	15.6
99.04437	1.9
99.08089	1.6
105.07039	14.0
107.04961	3.8
107.08604	15.1
109.06540	5.3
109.10157	25.5
111.04459	2.2
111.08076	2.3
111.11707	2.9
113.05988	2.1
113.09644	1.3
117.07034	1.7
119.08590	14.8
121.06496	2.4
121.10155	12.2
123.08087	9.5
123.11727	10.3
125.06005	30.1
125.09624	2.4
126.06831	5.6
128.06244	1.5
128.58104	1.0
129.07014	2.0
131.08575	4.8
131.16795	0.9
133.06508	3.2
133.10136	8.0
135.08035	2.3
135.11707	4.0
137.05977	4.4
137.09631	5.7
137.13225	3.4
139.07509	2.4
139.11195	9.1
141.05478	1.4
142.07784	1.4
143.08563	3.9
143.10645	2.7
145.10130	4.1
147.08081	4.9
147.11676	6.5
149.05998	1.6
149.09605	4.4
149.13248	3.5
151.07570	6.3
151.11194	3.4
151.14839	3.5
153.05452	7.0
153.09151	1.6
153.12773	1.6
154.06232	1.9
157.10172	5.0
157.12248	6.6
159.08144	1.6
159.11687	4.3
161.09659	5.2
161.13226	3.0
163.07542	2.1
163.11198	3.7
163.14796	3.1
165.05504	4.7
165.09119	11.2
165.12788	2.7
167.07071	2.5
167.10674	1.8
168.87453	1.0
169.10170	1.0
171.07964	1.6
171.11668	2.5
173.09648	1.4
173.13271	3.3
175.07532	3.2
175.11148	3.2
175.14827	3.0
176.96916	2.8
177.09126	3.9
177.12747	1.5
177.16449	1.5
179.10651	1.8
185.09653	1.5
185.13280	1.5
189.09129	2.0
189.12804	1.5
189.16388	2.7
191.14392	1.1
193.08614	25.0
193.10286	2.1
195.10127	1.3
195.13855	2.4
199.11241	1.2
199.14835	3.0
201.12770	1.3
203.10771	1.7
203.12714	1.3
205.12238	1.7
213.16406	3.1
215.14322	1.2
217.15897	5.7
221.15411	3.9
223.14775	1.6
227.14290	1.8
231.17542	3.1
235.16898	2.4
241.15913	3.6
245.15411	7.9
259.16946	4.6
263.16431	84.4
264.16751	1.9
269.15353	4.5
277.17972	10.2
287.16492	7.0
295.19043	3.7
305.17487	39.5
305.24750	5.3
306.18066	1.6
308.30988	0.9
315.83185	1.1
323.18546	100.0
323.25827	7.6
324.18829	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	323.1854
Annotation	beta-Zearalanol
Peak:m/z	Relative Intensity
53.03931	2.5
55.01869	1.8
55.05257	1.9
55.05506	17.3
55.05755	2.2
57.03435	2.4
57.07059	4.0
59.04987	1.2
67.05166	1.8
67.05504	20.8
69.03426	4.5
69.06723	2.2
69.07072	29.3
70.90911	1.1
71.04986	7.4
71.08625	4.4
71.56554	1.6
73.02895	1.0
79.05481	12.9
81.03419	1.7
81.07061	47.1
83.01360	2.5
83.04979	5.9
83.08633	9.1
85.02910	1.9
85.06526	3.5
86.26201	1.0
87.69940	1.1
91.05479	10.2
93.07051	20.7
95.04989	5.6
95.08609	39.9
96.01286	1.0
97.06530	8.0
97.10164	14.9
99.04465	1.7
99.08078	3.2
101.06012	1.2
105.07031	17.6
107.04961	4.3
107.08607	20.7
109.06525	9.5
109.10160	27.4
111.04446	4.1
111.08076	3.2
111.11702	2.5
113.06017	2.3
117.07047	2.9
119.08569	16.2
121.06472	3.5
121.10146	13.7
123.04361	1.8
123.08067	11.0
123.11707	11.4
125.05995	34.6
125.09653	2.5
126.06763	6.5
127.03922	2.2
128.06221	1.4
129.05472	1.5
129.06995	1.8
131.08553	6.7
133.06461	5.1
133.10133	11.7
135.08051	3.5
135.11722	5.6
137.05978	4.1
137.09627	9.7
137.13254	4.7
139.07520	2.5
139.11192	9.8
143.08559	4.8
143.10664	1.6
145.10123	4.7
147.08044	5.6
147.11684	10.3
149.05962	3.9
149.09627	5.6
149.13248	5.3
151.07558	7.9
151.11191	4.9
151.14787	4.0
153.05473	10.5
153.09181	1.9
153.12691	1.4
154.06248	2.9
155.08488	1.8
157.06334	1.2
157.10162	5.9
157.12247	7.8
159.08067	2.8
159.11700	4.4
161.09619	6.3
161.13251	4.2
163.07491	2.2
163.11191	4.5
163.14786	2.4
165.05522	5.8
165.09125	17.4
165.12721	2.5
167.07031	3.4
169.10109	1.7
171.08058	1.5
171.11713	3.4
173.09602	1.6
173.13271	5.2
175.07561	4.0
175.11183	4.5
175.14780	2.3
176.96935	2.5
177.05547	1.6
177.09113	2.4
179.07109	1.4
179.10654	3.9
181.08632	1.1
183.80864	1.2
185.09627	1.4
185.13174	1.5
187.11200	2.2
189.09140	2.0
189.12727	1.5
189.16382	3.1
191.10651	3.4
193.08606	29.0
193.10284	2.0
199.14810	5.8
203.10611	2.1
203.12573	1.4
203.14349	2.1
213.16374	3.6
217.15906	5.2
221.15323	3.2
227.14349	2.8
231.17511	3.7
235.16919	3.1
241.15825	5.3
245.15390	12.5
245.22902	1.7
249.18600	1.8
259.16907	8.6
263.16428	89.0
269.15292	6.7
277.18024	9.6
277.21072	1.4
277.25232	1.3
287.16412	10.2
287.23605	1.5
295.19080	4.0
304.93347	1.2
305.17474	45.7
305.24817	6.7
323.18527	100.0
323.25958	7.9
324.18866	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	323.1855
Annotation	beta-Zearalanol
Peak:m/z	Relative Intensity
51.92650	1.1
53.03946	1.1
55.01868	1.6
55.05525	8.8
57.03421	1.7
57.07084	2.0
57.73081	1.1
65.03921	1.2
67.05508	11.6
69.03426	2.7
69.07076	13.6
69.07421	2.0
69.92482	4.9
71.05002	5.6
79.05505	7.3
81.03416	1.4
81.07064	21.2
83.04986	4.2
83.08620	7.2
85.06534	2.0
85.78741	1.1
91.05473	8.2
93.07045	13.4
95.04992	3.2
95.08053	1.5
95.08618	19.3
97.02874	1.9
97.06532	4.6
97.10178	2.6
99.08102	1.6
105.07041	15.2
107.04969	3.4
107.08606	13.4
109.06522	6.0
109.10162	15.7
111.00795	1.2
111.04442	2.6
111.08104	2.6
113.06004	2.1
117.07024	2.1
119.08585	11.9
121.06487	3.2
121.10153	10.0
123.08076	9.0
123.11736	8.1
124.24255	1.0
125.05998	44.8
126.06770	5.1
129.07025	1.4
129.55217	1.1
131.08521	5.7
133.06496	4.6
133.10139	11.8
135.08060	5.4
135.11685	3.4
137.05991	4.1
137.09639	5.5
139.07571	2.4
139.11211	2.6
141.05571	1.2
143.08566	3.4
145.10097	5.8
145.19766	1.1
147.08043	5.3
147.11687	7.0
149.05998	2.0
149.09654	5.2
149.13313	3.4
151.07523	7.8
151.11211	3.4
153.05496	7.3
153.09134	1.0
153.12767	1.5
154.06248	2.8
156.09348	1.2
157.10133	5.4
157.12190	1.3
159.08047	1.3
159.11714	4.4
160.08853	1.2
161.09639	5.1
161.13321	3.0
163.07574	3.5
163.11197	4.0
165.05463	6.1
165.09132	11.9
165.12805	2.4
167.07034	2.8
171.11705	4.5
173.13306	4.7
175.07497	2.8
175.11162	3.1
175.13454	1.1
175.14832	2.3
177.09085	2.8
179.07042	1.9
179.10751	2.3
183.11736	1.6
185.09625	2.3
185.13380	1.3
189.09109	3.7
189.12796	3.2
189.16370	3.6
191.10596	3.2
193.08623	21.8
199.14839	4.0
201.12823	1.6
203.14215	1.5
207.10133	1.1
213.16437	4.2
215.14301	1.8
217.12389	1.5
217.15919	7.7
221.15326	2.7
227.14360	3.6
231.17476	9.0
235.16939	2.2
241.15970	5.3
245.15446	8.8
249.14894	1.9
251.16493	1.8
259.16995	12.0
263.16449	80.9
264.16855	1.3
269.15320	5.0
277.18042	20.1
277.20886	2.3
279.15991	3.8
287.16440	14.3
291.83295	1.1
293.04663	1.3
295.19150	7.3
305.17487	48.1
323.18549	100.0
324.18765	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1855
Annotation	2-Acetylzafronic acid
Peak:m/z	Relative Intensity
53.03943	4.7
55.01869	8.2
55.05520	26.1
55.90116	2.2
56.66229	1.9
57.03450	2.3
65.03948	3.2
67.05505	18.8
69.03434	40.5
69.07072	39.9
69.61381	2.3
70.92123	5.0
71.05007	10.0
79.05503	21.3
81.03424	13.9
81.07064	42.3
83.01345	3.7
83.04987	6.8
83.08623	20.0
85.02925	4.6
85.06540	4.3
91.05481	23.7
93.07051	37.3
95.04980	9.1
95.08614	43.7
97.06538	13.1
97.10186	5.4
99.04441	2.5
99.08145	2.5
103.03982	2.3
105.07036	50.8
107.04971	4.7
107.08601	39.4
109.06525	19.3
109.10168	21.1
110.15640	2.0
111.04491	4.2
111.08088	100.0
111.11731	3.1
113.06007	4.2
117.07041	6.4
119.08586	35.5
121.06531	7.1
121.10166	17.2
123.04451	3.3
123.08091	25.3
123.11710	15.3
125.06002	22.7
125.09678	2.5
127.11061	2.2
129.07054	5.9
131.08586	20.9
133.06517	27.9
133.10138	21.7
135.08054	11.0
135.11752	6.8
137.05998	6.4
137.09650	8.4
139.07558	33.7
139.11230	9.4
141.05522	3.0
141.12779	3.1
142.07759	3.6
143.08524	13.6
145.10172	11.9
147.08064	22.6
147.11691	14.9
149.05988	3.8
149.09608	12.8
149.13274	3.9
151.07532	25.6
151.11188	9.3
153.05478	40.2
155.08620	2.3
157.10136	19.7
159.08067	5.2
159.11714	9.8
161.09645	14.6
161.13307	5.0
163.07576	9.8
163.11182	10.2
165.05479	8.8
165.09138	29.9
167.07085	4.3
167.10670	5.5
169.10106	3.6
169.12279	12.8
171.08061	2.7
171.11711	11.2
173.09709	3.3
173.13316	11.1
175.07585	18.7
175.11247	6.8
175.14778	3.8
177.09146	11.5
179.07028	2.5
179.10661	10.8
183.11702	2.8
185.09663	4.8
185.13269	5.2
189.09132	4.7
189.12840	4.4
189.16403	7.7
191.14339	2.9
193.08632	29.3
195.06546	2.8
199.11206	3.1
199.14810	16.1
201.12759	7.2
201.16467	2.6
203.10614	4.6
203.14441	4.9
205.12292	3.6
213.16391	3.9
215.14348	2.8
217.12392	3.8
217.15889	27.5
219.13766	6.1
219.17488	2.4
221.15352	3.6
223.14824	2.2
227.14287	14.5
231.17566	2.6
231.21840	2.2
235.16954	5.0
237.14937	5.8
241.15903	16.6
243.17531	2.6
245.15407	62.3
251.14066	2.4
259.16989	20.2
263.16437	70.0
269.15405	21.9
277.17984	9.2
287.16418	40.6
305.17496	95.3
323.14883	13.0
323.18576	40.4
323.26212	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	323.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.0
65.03937	0.9
67.05511	4.9
69.03413	1.6
71.04998	28.2
71.15152	0.7
71.55477	0.9
75.69791	0.8
79.05504	1.1
81.03436	0.8
81.81111	0.8
83.04999	4.7
85.02901	2.6
89.43920	0.7
91.05486	6.5
94.06561	0.9
95.04971	14.7
97.02908	1.8
98.06081	5.8
100.04003	1.9
104.05036	1.4
105.03416	1.4
105.07034	1.8
107.04965	6.4
110.06047	5.9
111.04459	15.8
113.06020	18.0
115.05399	0.9
119.04952	11.2
120.04443	0.7
120.08150	1.5
121.02850	1.1
121.06539	1.6
122.06034	23.3
123.04447	5.1
125.06044	0.8
128.07086	2.6
131.04936	2.7
133.02843	2.6
133.06497	4.9
134.06035	1.6
135.04402	1.9
138.05510	6.2
139.03908	5.6
140.07074	47.9
145.02827	1.4
145.06464	1.5
146.06041	2.6
147.04422	38.8
148.07603	2.2
149.06009	2.0
151.03915	1.4
156.05270	1.5
156.06564	31.8
157.04996	7.1
157.06345	1.7
159.04491	2.2
161.02275	3.5
161.05981	4.9
161.07135	1.2
162.05518	7.3
163.03903	1.5
165.05440	1.0
166.05061	2.5
172.07391	0.9
177.05478	2.2
184.06068	100.0
185.04205	2.8
185.06229	0.9
187.03981	2.3
189.05501	7.1
189.10301	1.2
190.08690	2.5
191.03416	4.8
191.08168	3.4
199.03949	2.0
203.05312	1.7
203.07095	1.2
214.08624	2.7
217.04984	9.2
217.09671	1.6
232.09712	2.0
235.10657	1.2
236.09204	4.8
242.08197	1.7
245.09245	1.6
249.05522	1.2
259.11072	1.3
260.09235	3.8
263.05505	5.5
263.10388	1.3
264.08740	2.4
277.11945	0.9
278.10287	11.9
281.11346	11.4
287.05515	1.6
287.10077	1.2
288.08548	0.9
291.09933	1.2
305.11420	2.0
306.09601	5.3
323.07599	3.4
323.12430	39.2
323.15649	1.5
324.10474	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	323.0764
Annotation	(+/-)-Altenuic acid II
Peak:m/z	Relative Intensity
56.47219	0.8
59.05005	5.3
61.31757	0.7
65.03947	2.9
69.03430	1.1
69.69213	3.0
69.69619	2.2
74.64305	0.8
79.05496	1.4
87.04476	10.2
89.03968	1.0
91.05490	26.9
95.04964	0.8
97.02885	1.9
107.05009	1.5
115.03937	18.7
115.05463	2.8
117.03392	2.0
117.07035	1.3
118.04179	1.4
119.04948	23.7
124.07586	1.7
129.03387	2.0
129.07024	1.7
133.02837	0.8
135.04424	26.9
135.05411	1.7
136.07587	0.9
137.05989	3.7
141.06956	1.1
143.04947	2.5
145.02853	17.5
145.06581	0.9
147.04428	29.3
147.05511	2.1
157.02956	1.0
157.06508	0.9
159.04443	1.9
161.05992	1.4
164.07056	1.2
171.04463	3.1
185.02283	0.9
185.05940	1.2
187.03951	1.7
191.03404	100.0
192.03833	1.0
195.04378	1.4
199.03981	2.6
201.05534	1.0
203.08524	1.7
209.02481	0.9
209.04399	1.4
213.01794	9.2
213.05496	1.4
215.03792	0.8
215.07118	1.0
217.05003	2.3
223.04233	1.0
227.03293	4.7
231.06410	1.5
241.04970	5.1
243.00087	0.8
243.06659	1.2
245.04466	2.3
248.08351	1.6
253.00969	0.9
259.05875	4.0
263.10672	1.2
269.04584	2.3
277.07187	2.9
283.91940	0.8
285.64084	0.9
287.05521	25.4
287.14178	0.9
291.10239	4.0
293.08176	0.9
295.06027	1.0
305.06534	9.6
323.07672	38.5
323.12680	5.2
333.90738	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.074
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	25.9
62.57872	5.3
70.98121	6.8
71.55385	6.9
81.03426	7.1
95.84712	5.5
98.97581	48.5
101.00891	16.5
103.00632	8.1
116.98624	18.5
119.01910	21.5
121.01692	8.7
127.51555	5.2
128.98625	12.4
131.01920	10.4
132.98195	6.4
143.01915	59.4
155.01927	17.8
157.03529	6.6
158.99715	6.8
159.04951	6.2
161.02953	61.7
173.03003	37.0
173.04329	6.2
174.99199	7.7
177.02449	6.2
185.02907	8.0
188.97160	5.5
191.04144	6.1
202.98712	5.8
203.04022	31.0
220.99709	11.0
230.98135	7.5
233.05098	19.3
234.55185	7.1
235.06650	18.8
237.06416	27.1
241.07542	5.6
244.99626	6.2
251.04425	12.6
253.07838	7.9
255.07547	13.4
263.00739	9.2
269.05475	17.2
277.07758	15.3
279.07626	9.6
281.01926	11.3
323.07239	100.0
323.10632	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	323.0764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.8
57.03440	1.3
65.03943	1.4
67.05515	1.0
69.03434	0.8
69.43984	0.6
70.27200	2.7
71.04996	1.7
77.36303	0.6
79.05518	1.0
82.71467	0.7
84.08139	1.5
85.02909	2.9
90.72171	0.7
91.05490	14.7
93.07015	0.8
95.04960	2.4
97.02914	1.0
103.05459	1.8
105.03407	4.1
105.07038	4.8
107.04968	14.7
111.04494	0.8
115.05447	1.9
117.07019	0.8
119.04954	28.9
121.02868	2.6
121.06508	1.5
122.06010	1.5
123.04427	6.4
131.04927	7.2
133.02852	10.3
133.06508	14.7
135.04439	3.6
139.03940	2.5
140.07085	2.1
143.05014	0.9
145.02841	1.7
145.06514	2.3
147.04425	100.0
148.04744	0.9
149.06047	4.3
149.07097	0.7
151.03940	1.2
156.06595	1.2
157.06528	1.9
159.04431	3.8
161.02350	7.0
161.05994	16.8
163.03978	1.3
165.05482	2.2
165.06750	0.7
171.04396	5.1
171.05681	1.0
172.07610	1.1
173.06087	1.6
177.05519	4.7
179.03458	3.4
184.06058	4.2
185.04239	0.8
185.05969	1.2
187.03906	6.3
189.05486	26.7
191.03374	3.6
199.03952	7.1
201.05519	1.0
203.07059	1.9
205.05031	0.9
214.08763	0.9
215.07062	0.9
217.04996	31.5
242.08182	1.6
260.09106	0.9
263.05530	24.3
263.10321	2.2
269.04532	1.9
287.05594	1.4
287.10388	1.2
290.61356	0.7
295.06042	1.1
305.11377	1.8
323.05380	1.6
323.12225	4.1
323.16129	1.4
324.10464	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	322.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.9
55.01875	7.7
55.05507	7.1
57.03431	9.2
64.70464	2.7
67.05509	8.9
69.03429	11.8
69.07069	6.4
71.01360	3.5
71.56374	4.0
79.05502	30.5
81.07066	50.3
83.04982	9.4
85.02907	8.0
86.09710	4.4
91.05472	14.1
93.07053	13.3
95.01335	13.5
95.04977	5.5
95.08604	4.5
96.44891	2.9
97.02917	4.4
97.06544	21.6
105.07014	8.7
107.04952	6.0
107.08601	5.5
109.06513	29.4
110.07140	3.3
111.04432	7.5
111.08092	4.8
117.07038	5.6
118.06517	4.7
119.04967	4.1
119.08597	14.9
120.08086	5.6
121.02846	5.2
121.06560	4.6
122.06049	3.7
123.04414	3.8
123.08050	3.5
125.02390	4.6
125.05993	5.0
129.07028	5.6
131.08556	4.9
133.06503	4.1
135.08031	5.9
137.05940	7.3
139.03915	10.9
139.07588	3.6
141.01817	5.6
141.05527	3.4
145.06479	3.1
147.08070	10.9
149.05971	3.9
151.07390	3.0
155.07074	5.6
161.06070	3.4
163.07509	13.7
165.09123	27.4
175.07578	3.5
177.04016	2.8
181.08571	7.4
183.10101	5.9
193.08665	22.4
197.04579	4.0
199.09682	19.0
209.08131	13.8
211.09663	15.6
223.34117	3.4
227.09149	12.3
237.07654	5.2
255.08673	100.0
269.10275	3.2
273.09677	6.8
276.10263	6.4
322.10791	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	322.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19216	2.7
55.05514	4.6
56.96551	8.0
57.03429	3.7
59.05000	6.9
60.04248	5.0
60.04528	53.8
61.02887	3.2
69.03420	13.0
69.06717	5.2
69.07072	74.4
69.43558	25.5
70.06586	3.5
71.01333	2.9
71.08642	23.5
73.06564	4.8
81.03410	7.3
84.04498	14.2
85.02907	48.0
91.05482	9.6
96.04501	17.1
97.02900	58.6
97.06519	11.0
98.06082	5.4
99.04410	3.8
109.02875	6.9
114.05584	3.0
114.09188	24.4
115.03941	5.7
115.07589	46.6
119.04939	17.2
120.05300	5.4
126.05482	7.5
126.38376	3.0
127.03920	10.4
135.63785	3.1
138.09053	3.3
142.07555	7.4
142.08643	100.0
143.07053	59.2
144.06561	34.3
145.04979	3.5
146.10289	2.8
147.04416	42.3
148.04776	18.5
160.09708	70.5
162.07648	21.4
163.03841	3.8
168.99571	5.5
180.08754	4.1
184.09724	40.2
195.98184	3.9
196.99051	21.8
202.10757	16.0
203.22466	3.4
215.73215	3.9
220.00682	13.9
224.98695	4.9
239.02287	6.1
240.02647	9.1
258.03735	5.7
279.01541	3.2
280.02237	6.2
323.05151	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	322.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.7
55.01871	1.1
55.05515	18.8
57.03432	0.6
65.03938	2.5
67.01868	1.3
67.05497	1.9
69.03434	14.6
69.03811	0.8
69.07074	0.6
70.06586	1.7
71.56341	0.6
72.20096	0.4
83.04984	100.0
84.05302	0.8
85.02920	0.9
86.09705	0.8
91.05487	1.0
93.03401	2.7
93.07053	0.6
95.04971	1.2
95.08564	0.5
96.21545	0.5
97.02913	0.5
103.05483	2.4
107.04965	0.6
111.04449	37.8
119.04967	0.8
120.08110	53.3
121.02847	2.8
121.08474	0.8
123.04456	2.6
124.04803	1.7
124.07610	0.7
125.09654	0.6
129.05481	1.4
133.06532	0.8
139.03906	17.3
141.09056	0.6
144.08167	0.5
147.04436	2.3
149.06070	0.5
157.04973	17.2
159.68469	0.5
160.07570	1.1
161.06003	0.6
165.05511	0.6
166.05870	0.6
166.08664	6.4
169.06474	0.6
178.05048	1.8
191.03401	0.8
198.06265	0.7
201.94087	0.5
216.07259	2.2
240.19125	0.5
240.21526	0.5
258.11221	5.7
258.13327	0.5
269.76520	0.6
276.09476	2.8
276.12378	10.7
286.10681	0.8
304.11865	2.2
322.12827	3.8
323.05234	0.6
323.12384	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.9931
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	0.7
69.69689	0.9
78.93581	0.2
80.17870	0.2
96.42902	0.2
98.20840	0.3
98.97599	2.7
99.29745	0.2
101.00881	0.5
111.31947	0.2
116.98641	2.2
118.90796	0.2
119.01914	2.2
122.86837	0.2
122.97836	0.4
134.99689	1.0
137.03009	0.3
140.98810	0.4
142.03522	0.3
153.00757	0.2
157.07245	0.2
158.99898	0.8
177.00964	12.6
178.01059	0.4
182.99835	1.5
201.00926	6.2
202.01096	0.2
214.92102	0.2
214.95558	0.2
219.02020	100.0
220.02148	4.2
221.02448	0.7
223.94785	0.2
233.03627	1.1
234.99811	0.4
236.99463	1.0
237.03076	0.3
238.95512	1.5
242.03639	4.9
256.93845	0.3
256.96652	8.7
257.96747	0.5
258.99857	0.6
260.00089	0.3
261.03091	0.7
262.95587	0.3
271.16971	0.2
272.94489	0.3
274.94205	1.0
274.97696	2.1
275.97733	0.2
277.00833	0.8
278.01184	0.3
279.98227	1.4
280.96478	1.0
290.95630	0.3
292.95352	0.6
298.18564	0.2
298.97702	35.6
299.18793	0.3
299.97910	1.4
301.00955	0.3
303.98245	0.3
312.99194	0.8
314.95535	0.2
316.95694	0.4
316.98734	0.3
317.43604	0.4
319.43924	0.4
319.93896	0.3
321.99316	3.8
328.44324	1.7
328.94199	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.6
55.01864	16.5
55.05522	48.8
57.03189	5.6
57.03444	87.8
57.07068	6.8
62.40258	4.2
63.84779	4.6
65.03924	8.6
67.05503	58.7
69.03414	6.2
69.07060	18.0
70.03457	19.2
71.04993	7.2
78.04763	4.0
78.93726	3.9
79.05500	51.3
81.03398	6.5
81.07066	54.6
83.04987	94.3
83.08611	10.6
85.06544	11.0
91.04967	7.4
91.05492	83.9
93.07056	55.4
95.04962	21.3
95.08610	59.9
97.06522	10.7
97.10155	9.4
99.04465	11.4
99.08106	4.7
103.05479	4.5
105.07047	45.9
107.04965	83.4
107.08605	35.6
107.47677	4.2
109.06520	43.6
109.10188	20.9
111.04456	56.9
111.08066	6.9
113.06011	8.2
117.07026	21.5
119.08597	36.5
121.06519	22.7
121.10178	22.2
123.04443	7.4
123.08079	41.0
125.05997	10.2
125.09650	5.3
128.06195	9.1
129.07008	16.3
131.08582	28.3
133.06490	17.6
133.10172	25.3
135.08060	36.2
135.11697	20.4
137.05901	5.7
137.09622	12.8
141.06970	8.8
143.08571	12.3
145.06551	22.1
145.10101	28.5
147.08060	22.7
147.11662	10.8
149.06021	11.2
149.09616	11.6
150.16637	4.5
151.07495	5.9
153.09138	7.5
155.08578	16.1
157.10153	10.3
159.08070	31.4
159.11728	11.1
160.08839	4.4
161.05977	8.5
161.09639	17.2
163.07529	19.9
163.11154	21.2
169.10107	10.4
171.11696	12.7
173.09653	13.3
173.13272	12.8
175.11189	7.3
177.09018	7.8
177.12726	15.6
179.14304	60.5
181.10323	5.5
185.09547	5.9
187.11136	6.5
187.14856	12.5
189.12717	6.7
197.13219	12.5
199.11171	7.7
205.15897	18.3
215.14305	12.9
217.12311	6.6
225.16255	8.3
229.12250	6.1
229.15910	5.5
233.15352	67.7
243.17400	18.7
248.22791	4.6
251.26611	4.6
253.15862	12.4
261.18582	31.9
265.17987	9.5
271.16940	42.9
289.18008	100.0
303.19849	6.7
303.23065	9.5
321.20767	11.0
321.24246	95.8
321.27979	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	321.067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64359	1.2
56.37911	1.2
56.52680	1.4
58.26440	1.4
58.64931	1.2
61.02922	2.4
62.82267	1.2
70.08082	3.9
70.99869	3.3
73.01443	2.0
82.99863	3.8
85.02901	3.4
91.02470	2.8
93.97173	1.3
97.01402	1.8
98.97586	1.8
99.04451	2.3
101.00892	51.5
103.26240	1.2
109.03478	1.7
110.80168	1.2
113.00887	7.9
115.02437	13.4
116.41751	1.3
117.04050	2.0
119.01932	100.0
120.02032	3.2
126.98770	2.4
127.03940	3.7
129.04012	4.1
131.01906	18.0
133.03484	33.9
137.02965	14.0
142.03487	1.4
143.01898	12.4
144.99849	6.9
145.03499	4.5
145.05017	1.7
149.02974	4.0
151.04582	4.9
155.01961	2.6
157.03516	4.3
159.05029	2.0
161.02980	20.9
163.03954	6.1
163.28836	1.5
168.99847	17.7
171.01396	7.5
173.02997	15.9
175.04543	5.2
177.02492	4.6
183.01389	2.4
185.03024	2.3
187.00900	38.1
188.52028	1.4
189.02467	18.7
191.04022	16.2
196.99315	11.7
199.00938	3.2
201.02519	6.1
203.04019	2.0
205.02008	12.1
207.03560	1.6
215.00395	47.9
217.01953	3.6
218.03581	1.8
219.03580	7.0
219.07111	1.6
221.03030	4.0
221.04993	2.1
229.01970	23.8
231.03464	3.8
233.01442	5.2
233.05081	20.5
238.02116	1.9
247.03021	77.2
248.03195	1.9
249.04622	4.1
261.04773	3.2
261.08255	1.8
265.03992	10.7
270.04749	2.0
279.05688	3.6
279.09103	2.6
289.03998	9.4
307.04974	1.8
321.06613	8.6
321.10324	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09023	1.2
53.46026	1.3
56.96569	2.0
66.25283	1.2
69.27649	5.7
69.28073	5.9
70.99857	2.1
72.81220	1.5
74.45009	1.3
82.99869	4.2
85.01437	1.2
89.00855	1.4
89.03918	9.3
91.02466	3.1
91.68808	1.4
98.20720	2.5
98.97585	4.5
101.00885	43.3
103.02509	1.8
105.04035	1.8
107.04966	2.2
113.00866	8.0
115.02435	14.3
116.98646	2.4
117.03391	10.6
119.01929	100.0
119.04912	2.4
126.98816	1.6
127.02407	1.4
129.03981	3.8
131.01900	17.5
133.02530	2.4
133.03485	28.9
135.04402	20.2
137.02946	12.9
142.01134	1.6
143.01891	11.4
144.99838	3.2
145.02895	10.0
145.03662	1.9
147.04285	3.2
147.05208	1.8
149.02988	4.6
151.04507	6.4
155.01923	2.4
156.02661	1.8
157.02376	1.5
157.03419	7.8
160.02184	1.9
161.02962	19.9
163.03911	66.7
164.04341	1.8
168.99809	15.3
171.01419	5.0
171.05045	1.9
172.99365	1.5
173.02962	16.0
175.04544	4.6
177.00909	1.3
177.02480	4.1
183.01445	2.4
184.02255	2.0
185.03032	3.9
187.00908	34.3
187.11473	1.5
189.02469	15.9
191.03998	14.5
193.03575	1.7
196.99330	9.3
199.00914	1.5
199.04601	2.9
201.00841	1.7
201.02524	9.8
203.01984	3.5
203.03986	2.6
205.01959	10.7
207.03519	1.8
213.02417	1.5
215.00388	39.2
217.02003	3.5
217.05641	3.0
219.01680	2.0
219.03584	10.8
219.07024	1.7
221.02985	53.9
222.03197	3.1
226.56287	3.2
227.06197	1.3
229.01920	20.2
231.03511	5.9
231.07175	2.3
233.01410	4.8
233.05070	18.0
235.06631	22.3
239.04076	7.9
247.03018	72.1
248.03133	1.9
249.04585	4.8
253.07729	11.9
261.02429	5.9
261.04791	2.7
263.03928	3.0
265.04077	10.9
267.09192	3.3
270.04648	2.2
274.98959	1.3
277.07675	4.7
279.03519	5.9
279.06110	2.4
280.98148	1.5
289.04056	9.4
298.18887	2.0
299.06158	1.6
303.05740	6.4
307.05371	1.8
321.06699	10.4
321.11023	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	321.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49611	0.5
56.96568	9.1
57.19551	0.5
63.02384	0.5
63.94746	0.5
65.03931	0.5
65.22337	0.5
69.03458	0.5
69.87688	2.0
69.88100	0.9
75.16644	0.5
79.05501	2.4
79.36023	0.5
89.03925	12.0
91.05494	7.7
97.02895	0.6
98.21516	0.7
98.97594	6.6
101.00899	4.6
107.04966	2.7
109.25454	0.5
115.02452	1.5
116.98647	4.7
117.03381	14.1
119.01931	12.2
119.04949	15.2
131.01926	1.5
133.03490	2.0
134.99692	1.6
135.04417	23.9
137.03003	1.2
143.01889	1.2
145.02837	15.1
147.04416	46.7
149.02988	0.5
157.03452	0.7
158.99625	0.6
161.02962	1.9
163.03920	100.0
164.04214	1.3
168.99861	1.4
171.01360	1.6
173.02983	1.4
177.00772	0.9
177.02400	0.8
185.00858	1.2
187.00914	3.6
189.02502	2.9
191.00133	0.5
191.04030	2.0
193.03452	1.7
194.03651	0.7
195.03297	1.3
196.99292	1.3
201.02394	0.8
203.00261	1.0
203.01962	2.7
205.01929	1.5
210.03198	0.8
211.06497	0.6
213.04353	1.0
215.00346	5.5
219.01698	1.1
219.03580	1.1
221.01277	3.1
221.02980	73.6
222.03210	1.9
229.01967	2.5
231.03432	1.0
233.01414	0.8
233.04974	2.4
235.04643	0.6
235.06680	1.1
237.02748	1.0
239.02238	11.3
239.04095	9.4
240.02496	0.6
244.04636	1.4
245.01198	1.2
247.03036	8.0
247.74504	0.5
249.04558	0.9
257.03326	9.1
258.05298	1.8
261.02460	5.9
263.01962	1.3
263.04056	2.0
263.06094	1.6
265.04077	2.2
272.97702	0.5
279.03775	9.9
281.04675	1.9
281.06970	2.7
283.68799	0.6
289.03995	1.1
297.02859	2.4
298.18646	1.3
321.06586	1.7
325.61099	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0008
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01187	1.1
54.11721	1.0
56.96569	26.4
70.02113	3.8
79.05491	2.5
85.02916	1.8
89.03925	8.4
91.05481	17.0
95.04991	1.5
95.08632	1.4
98.21424	1.4
98.97580	6.1
99.35363	1.3
107.04958	3.3
113.70557	1.1
116.98653	7.3
117.03400	10.1
119.04100	1.8
119.04945	33.9
120.05315	1.3
127.03867	1.2
134.99675	4.9
135.04411	22.2
135.05385	1.6
139.03955	1.4
145.02835	15.3
147.04416	100.0
153.05431	1.4
159.06636	1.3
163.03914	88.2
177.02130	1.4
185.00908	1.3
189.05452	2.0
191.00134	2.2
193.01697	1.2
195.03329	5.2
203.00204	1.9
203.01868	2.3
203.03516	2.9
209.01141	1.8
213.04282	8.3
215.03407	2.3
217.10632	1.3
221.01170	7.7
221.02977	73.8
235.04782	1.4
239.02135	45.1
239.04109	8.5
244.04630	2.5
257.03333	28.2
261.02667	6.8
262.03894	1.9
263.02209	4.9
263.06174	2.2
279.01367	22.1
281.07211	2.5
297.02914	11.2
321.09442	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	320.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31216	0.8
53.03941	2.3
55.01870	5.0
56.96566	1.3
58.07515	0.7
59.16399	0.8
61.02917	1.1
68.05027	1.2
69.03430	0.9
69.61023	1.9
69.61431	4.5
70.06590	1.3
81.03419	8.6
84.04539	0.9
85.02887	1.0
91.05482	6.5
94.06534	1.5
95.04987	1.4
96.04500	1.9
97.02878	2.4
98.21432	1.7
103.05477	2.0
103.46751	0.8
105.07013	2.4
107.04958	10.6
110.06061	2.0
114.05529	2.3
115.05424	2.0
116.97185	0.9
117.07010	5.7
119.04945	9.6
119.08574	2.3
120.08085	1.1
121.02876	3.3
122.06027	15.0
123.04417	4.6
129.06993	1.5
131.04959	2.4
132.05664	1.5
133.06499	15.9
135.04407	0.9
140.98485	2.0
141.06950	1.3
145.06494	24.8
147.04414	24.8
147.08040	12.3
155.06056	3.0
157.06508	5.6
157.08597	1.1
158.11772	2.6
159.06821	6.4
160.05157	2.3
166.99992	2.3
169.06467	2.0
171.08041	1.2
172.07594	6.1
173.04849	0.5
173.05991	21.8
173.08363	3.6
174.09157	22.3
175.07564	4.2
181.83022	0.8
184.07596	2.6
186.09099	7.4
187.07524	1.3
187.09952	2.6
188.10719	2.6
191.01555	0.9
193.98769	1.4
194.99530	9.7
197.05963	2.5
198.09113	1.1
199.07635	1.1
200.07092	7.2
201.05463	17.7
201.07382	1.0
202.08684	1.9
203.08260	0.9
214.08624	40.8
215.07043	1.7
216.10201	100.0
217.04988	2.5
218.01085	7.7
222.99026	2.9
239.02232	2.7
242.08125	80.3
252.99998	1.0
260.09204	27.1
260.11896	1.6
261.07553	1.7
278.13318	2.2
279.01941	1.1
302.10254	1.2
303.12900	1.8
320.08200	0.9
320.11337	23.7
320.15250	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	319.2269
Annotation	Eoxin A4
Peak:m/z	Relative Intensity
55.01868	6.0
55.05513	15.6
57.07072	7.6
65.03945	3.9
67.05505	32.2
68.99796	4.1
69.07059	6.5
71.05004	6.7
71.08636	100.0
71.56744	5.7
72.76038	3.9
78.99050	3.8
79.05511	28.0
79.59717	3.8
81.03432	9.4
81.07056	28.2
83.04972	8.5
85.06554	4.2
91.05486	49.1
93.07056	27.3
95.04986	8.5
95.08613	16.8
96.08868	3.7
97.06520	8.8
99.08098	74.3
105.07051	27.6
107.08607	12.3
109.06496	4.2
109.10146	7.8
117.07043	37.3
119.08612	47.0
121.06517	7.7
121.10150	7.0
123.08076	7.1
127.11185	7.1
128.06265	8.1
129.07016	16.2
131.08574	19.8
131.31190	4.0
133.10149	10.0
135.08060	6.0
141.07022	9.4
141.12718	9.8
143.08543	24.8
145.06480	4.7
145.10112	25.5
147.08043	7.0
149.09578	4.9
151.11192	21.9
153.12769	5.5
155.08580	7.7
157.10170	9.6
159.11734	10.4
161.09636	9.3
163.14868	4.2
169.10156	21.7
173.62076	4.5
179.14328	7.0
181.90024	3.8
185.13237	22.8
187.11217	26.9
189.12759	8.1
203.14371	20.7
205.12294	30.0
217.15874	11.9
235.17050	5.4
262.14322	9.0
263.14618	18.8
283.20679	6.1
301.21674	17.1
319.15707	5.1
319.19095	11.6
319.22687	12.9
319.30365	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	319.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91871	0.9
56.05046	8.4
57.05832	2.0
59.06111	0.9
60.05651	2.2
66.88536	0.7
69.04552	1.4
70.06604	4.0
70.81207	2.1
74.27985	0.7
76.94310	0.9
79.05530	0.9
81.03406	0.9
83.06093	4.3
87.05608	0.9
91.05492	1.0
95.06097	3.4
97.03996	0.8
101.51738	0.7
106.06573	1.8
111.05580	9.7
112.08781	1.1
113.07153	4.7
113.09526	0.8
118.06510	0.8
120.04485	3.4
120.11579	0.7
123.05555	1.4
126.06682	4.7
127.07397	1.4
130.06528	0.8
132.04469	18.3
132.08087	1.5
134.06017	4.9
136.07672	0.9
137.04686	1.9
140.08205	3.0
146.08401	0.8
148.03941	1.9
150.05513	8.1
151.06184	10.0
157.04967	0.8
165.06662	1.5
174.02702	0.9
174.05513	1.1
176.07054	1.7
187.08699	5.6
189.06670	1.3
202.09790	4.1
203.08197	5.1
216.11427	1.5
219.07759	1.1
230.09235	4.1
231.07671	34.9
232.10799	3.3
233.09167	2.3
233.14015	9.5
234.12305	1.2
242.09268	2.6
246.08746	1.5
249.13313	1.2
257.10284	6.2
259.11923	28.0
260.10049	1.6
273.11472	0.8
277.12982	100.0
278.13416	1.2
284.11407	4.8
291.05539	0.7
301.14142	2.7
302.12506	59.0
319.15161	87.3
320.15314	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13417	4.8
52.23450	4.0
55.01868	7.6
55.05505	13.8
55.89886	4.4
56.05030	5.2
67.05499	9.6
69.03429	10.7
69.07066	6.6
70.06583	7.6
71.04988	11.3
72.08199	4.7
79.05486	8.9
81.03419	10.4
81.07053	8.6
84.36281	3.9
85.02518	4.9
85.02927	58.7
91.05452	7.4
93.07053	5.7
95.04976	6.8
97.02891	19.3
99.80643	4.3
107.04951	8.1
107.08549	4.8
108.08125	5.5
109.02901	6.8
109.06541	5.1
116.56548	4.1
119.04942	4.5
121.10097	6.0
122.06075	5.2
126.05424	5.2
127.03918	16.2
129.01849	9.7
129.06984	4.5
132.04436	3.8
134.06044	4.8
136.07574	11.7
137.02303	8.9
139.11157	7.1
140.07098	20.9
145.04958	11.6
145.10077	5.6
147.04404	14.5
149.05995	8.6
151.03903	10.1
152.07033	10.7
153.01836	13.3
157.01425	4.2
157.12244	7.6
159.08115	7.2
161.05968	5.8
163.03854	9.1
163.06075	5.4
164.07082	16.8
165.01929	6.8
169.01352	8.5
177.05423	13.0
178.08673	9.0
179.03357	9.7
181.06508	6.5
182.08145	55.7
183.02777	8.5
183.06606	4.8
206.08141	19.8
227.11891	5.0
231.07701	10.3
245.04471	9.9
248.09096	8.2
250.82826	4.6
259.11926	7.6
273.03870	14.6
277.12924	31.3
301.11786	5.2
302.12558	17.9
319.04501	100.0
319.08148	8.8
319.15741	31.6
343.50888	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	319.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
57.37035	0.4
67.05503	1.0
67.87607	0.4
70.61833	0.4
71.05003	1.0
71.44849	0.4
71.45176	0.5
73.36396	0.4
79.05502	0.4
81.05800	0.4
82.06577	0.9
83.04992	0.6
85.02921	0.4
91.05489	0.9
92.04928	0.5
94.06564	5.5
95.04964	1.0
97.02871	0.4
105.06985	0.4
106.06561	2.0
107.04958	1.0
108.04496	5.0
108.08110	2.6
110.06055	0.9
111.04446	1.6
113.06029	0.7
118.06557	0.7
119.04955	0.5
120.04478	1.5
120.08118	0.5
121.06520	1.1
122.06024	2.0
124.07613	0.7
132.08139	0.7
133.07576	0.6
133.10106	0.4
134.06024	3.2
135.04475	0.9
135.06860	0.5
136.07579	4.2
138.05516	1.5
143.77843	0.4
144.08133	1.0
146.06001	1.1
146.09627	0.4
147.04489	0.4
148.07549	0.9
149.05984	1.4
152.07089	0.6
153.01825	1.6
156.06573	1.5
156.08130	0.7
158.09666	1.1
160.07538	1.0
160.09973	0.7
161.07121	8.5
162.05562	0.5
162.07925	0.8
163.03920	1.3
163.08659	0.7
164.07086	1.1
166.08669	1.2
169.08839	0.8
170.09692	0.5
171.09171	0.7
172.07652	1.1
172.11240	1.1
173.10704	2.6
174.09190	1.0
175.12355	0.5
179.03365	0.5
181.04973	0.7
182.04494	0.8
182.09612	0.9
183.09271	1.0
184.06071	1.6
184.07565	0.7
184.09860	0.8
184.11301	1.0
185.10794	0.8
186.07759	2.4
186.09210	1.2
187.08673	2.5
188.09435	1.6
189.10326	0.6
197.10808	1.3
198.11401	0.6
199.08658	3.9
199.12363	1.5
200.07112	0.6
200.10895	2.3
201.08359	0.7
201.10242	14.9
202.10886	0.6
203.11813	0.9
209.10776	0.6
210.09172	0.8
212.07541	0.4
212.09451	1.7
213.10193	2.0
215.08188	4.0
215.11748	1.0
216.12526	0.6
217.09845	0.7
217.13356	0.9
226.11064	1.9
227.11783	5.5
228.10271	1.9
229.09741	4.2
230.10573	0.8
231.11212	0.6
232.09795	1.1
245.04541	0.5
245.09174	0.6
245.12881	3.8
246.07712	0.6
246.11293	1.8
255.11340	3.0
256.09665	0.7
273.12350	23.6
274.10629	3.3
275.11188	0.6
277.11844	0.7
291.13379	3.0
301.12051	2.1
302.10266	0.7
309.79871	0.4
319.04922	6.4
319.12915	100.0
320.13190	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07164	0.7
53.03957	0.8
55.01867	1.5
55.05514	0.8
56.04989	0.9
65.03919	0.9
67.05488	2.6
68.99785	2.0
69.03439	1.2
69.07057	0.9
71.05001	7.2
71.46279	1.1
79.05484	0.9
81.03423	1.4
82.06567	2.4
83.04974	1.6
84.91647	0.7
85.02906	1.6
91.05475	1.7
94.06574	16.1
95.04983	4.2
96.08133	0.8
106.06554	1.9
107.04979	7.2
108.04485	10.8
108.08142	4.1
109.02867	1.2
109.06533	0.8
110.06046	2.6
111.00784	0.9
111.04449	4.6
112.32071	0.8
113.06001	2.8
119.04914	1.3
120.04483	1.6
121.02879	1.4
121.06512	2.6
121.10126	0.9
122.06028	2.8
126.03153	1.3
127.03857	0.9
129.06984	0.8
131.13408	0.7
132.08092	0.8
133.07593	1.0
134.06020	4.9
135.04430	13.7
135.06682	1.3
136.07590	24.9
136.54572	0.8
137.02309	1.1
138.05524	5.5
139.03886	1.8
144.08046	2.6
146.06049	1.1
147.04385	0.9
149.05977	4.9
150.56476	0.8
151.03880	1.2
152.07053	5.1
153.01860	8.6
156.06560	5.1
157.05008	1.2
158.09631	3.0
160.07579	1.7
161.07111	14.6
162.05492	1.1
162.07840	1.1
163.03937	5.4
164.07025	1.4
165.01845	3.3
166.08650	3.1
168.08076	0.8
169.01367	0.9
170.09685	0.8
172.07645	1.8
172.11223	3.8
173.10773	2.9
174.09142	1.6
175.03864	1.1
179.03441	2.5
182.09691	1.2
183.02876	1.1
183.07864	0.9
183.09293	1.0
184.06088	13.9
184.07561	1.8
184.11267	1.5
185.08362	2.0
185.10751	1.3
186.09120	5.6
187.08681	2.5
188.07152	0.9
188.09383	2.1
188.10844	1.7
193.05057	1.0
195.02942	2.1
197.10742	1.5
198.11537	1.5
199.03970	1.6
199.08563	4.3
199.12337	1.3
200.07059	3.3
200.09076	1.5
200.10861	6.0
201.08470	1.0
201.10225	7.1
202.08594	1.8
203.03392	1.2
207.02724	1.2
209.10773	0.8
210.09174	1.5
211.12349	0.8
211.57236	0.8
212.09364	1.1
213.10294	3.0
214.08781	1.1
215.08305	0.8
215.11772	0.9
216.10321	0.9
216.12379	0.8
217.04956	1.4
221.04488	0.9
226.11008	3.2
227.11760	6.8
228.06554	2.5
228.10245	5.7
229.09853	3.6
229.13397	1.2
230.08281	1.2
231.02968	0.8
232.09731	7.3
233.12851	4.5
239.11783	0.9
245.04492	3.5
245.12910	1.6
246.07640	9.2
246.11230	4.7
255.11269	5.5
256.09750	2.4
257.12848	2.9
260.09058	1.2
273.03891	5.4
273.12427	6.4
274.10751	17.0
277.11826	15.2
290.04169	1.2
291.13348	5.4
301.03485	1.0
301.11890	8.8
302.10184	12.2
319.04568	38.0
319.12885	100.0
320.04889	1.3
320.13361	1.2
326.52319	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.0
65.03946	2.7
67.05504	6.8
68.99796	1.0
69.03437	0.9
69.07066	1.1
69.76382	6.1
79.05488	1.5
81.07045	1.0
86.75878	1.0
90.73973	0.9
92.04984	2.2
93.07058	1.6
94.06562	3.4
95.04980	2.6
95.08591	1.0
105.07024	2.2
108.08134	1.1
110.06018	1.1
111.00808	1.1
115.05473	0.9
116.98627	0.9
118.42587	0.9
119.08613	0.9
121.10167	1.0
122.06046	1.8
124.07588	5.2
128.06163	1.0
129.47749	1.0
131.07285	1.3
133.10139	1.3
136.07582	2.7
137.02356	1.2
137.08304	1.2
138.05525	14.6
138.09155	1.7
143.08553	1.3
144.08066	2.5
144.95805	1.2
148.07582	1.3
150.09172	1.5
152.03421	3.3
153.01848	3.1
154.06532	1.3
157.10130	1.5
157.24565	1.0
158.06117	1.2
164.07056	1.4
165.06920	1.3
166.04993	16.0
167.07294	3.0
168.08098	2.2
170.09613	1.3
172.11118	1.4
178.05025	2.8
179.08145	1.0
182.04510	5.5
182.09671	3.7
183.02885	1.3
184.07558	1.2
184.09889	1.4
184.11252	2.6
185.10805	1.0
188.07089	1.3
188.10780	1.6
189.06702	2.2
194.08333	2.7
198.09094	2.7
199.12335	3.8
200.10788	2.0
205.06151	1.1
207.07643	11.5
209.10751	2.2
210.09122	2.2
212.10741	3.5
213.10225	2.2
215.11746	1.9
216.10175	2.0
217.05011	1.7
225.10210	3.0
226.11113	1.0
227.11832	5.1
228.10178	2.9
229.13353	1.6
230.11757	2.6
237.10196	1.5
238.08667	3.4
240.10327	1.7
241.09717	5.2
243.11348	2.9
245.04584	1.4
245.09181	4.6
255.11328	23.5
256.09659	2.1
257.12997	2.6
259.10837	2.9
261.12421	1.5
270.10022	4.2
271.10788	45.6
272.08817	2.0
273.03931	2.9
273.09195	1.6
273.12366	12.8
274.10715	1.3
275.13986	2.1
283.10751	13.9
286.04721	1.7
289.08542	1.5
289.11832	42.4
301.11856	100.0
302.09830	1.7
312.67206	1.0
319.04568	19.1
319.12946	22.7
319.16330	1.1
337.11624	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.045
Annotation	Myricetin
Peak:m/z	Relative Intensity
55.01859	0.5
58.23360	0.2
65.03938	0.6
67.01859	0.4
68.99440	0.3
68.99795	4.6
69.03415	0.6
71.55608	0.2
72.79279	0.2
75.41700	0.2
79.01850	0.4
79.05475	0.4
81.03421	1.0
85.02905	0.3
86.63711	0.2
91.05449	0.3
93.03385	0.5
93.07053	0.2
94.35730	0.2
97.02879	0.5
103.05448	0.3
105.07102	0.3
107.05009	0.2
109.02885	2.4
111.00811	4.8
111.04425	0.9
115.05440	0.4
117.07045	0.2
120.84512	0.2
121.02868	0.7
121.06497	0.6
123.04456	0.4
125.02334	0.5
126.03144	0.4
127.03898	0.8
133.02870	0.4
133.06502	0.3
133.10147	0.4
135.04471	0.3
137.02347	4.2
139.03883	0.6
143.03336	0.2
147.04417	0.5
149.02335	0.3
153.01837	22.8
153.05423	0.6
161.02373	0.3
161.05992	1.0
163.03897	0.4
165.01836	6.5
166.02606	1.0
168.00430	0.3
169.29317	0.2
171.04410	0.7
173.05931	0.2
175.03917	0.6
177.05507	0.6
179.03394	2.8
183.02933	2.3
189.05461	2.6
191.03307	0.4
193.01260	1.0
194.02036	0.3
195.02872	1.2
199.03893	1.2
203.03433	1.3
207.02922	0.8
217.04974	9.3
219.02882	0.6
221.04381	0.8
227.03352	0.7
229.04950	0.6
231.02888	0.7
232.03690	0.3
235.02492	0.3
235.05980	0.8
238.32465	0.2
244.03690	0.8
245.04466	8.7
255.02882	1.4
262.04758	0.2
263.05551	1.3
272.03220	0.3
273.03940	9.0
283.02353	0.2
290.04227	2.1
291.04810	0.3
301.03445	1.7
301.11826	0.3
319.04495	100.0
320.04865	1.1
332.24741	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0449
Annotation	Myricetin
Peak:m/z	Relative Intensity
50.09951	0.2
50.38594	0.2
50.57515	0.2
55.01866	0.4
60.63347	0.2
61.37420	0.2
65.03936	0.9
67.01859	0.4
67.05502	0.3
68.99435	0.2
68.99792	4.3
69.03411	0.6
70.10779	0.4
70.11154	0.9
71.74316	0.2
79.01842	0.4
79.05496	0.4
81.03408	0.7
81.07071	0.2
82.06572	0.2
84.13293	0.2
84.28629	0.2
85.02914	3.5
88.07385	0.2
91.05461	0.3
93.03407	0.5
94.06542	0.7
97.02888	0.3
98.21526	0.2
103.05485	0.3
105.07019	0.6
106.17952	0.2
107.01308	0.2
107.04939	0.4
108.02092	0.2
108.04485	0.6
108.08108	0.6
109.02891	3.1
110.26486	0.2
111.00806	4.6
111.04459	1.3
115.05457	0.3
121.02872	0.8
121.06506	0.8
122.06042	0.4
123.04414	0.5
124.07615	0.2
125.02374	0.5
126.03143	0.6
127.03953	0.9
129.01932	0.2
133.02875	0.5
133.06461	0.5
134.06044	0.3
135.04413	0.6
136.07590	1.1
137.02348	4.6
139.03923	0.9
144.07985	0.3
147.04425	1.0
149.02338	0.4
149.06038	0.3
149.10701	0.3
151.03903	0.3
153.01836	23.6
153.05336	0.5
160.04272	0.2
160.07512	0.3
161.02376	0.3
161.05977	0.9
161.07138	0.6
163.03902	0.7
165.01840	7.1
166.02631	1.2
166.08670	0.6
171.04440	0.7
172.11235	0.2
175.03922	0.5
177.05469	0.7
179.03391	2.9
183.02930	2.2
184.06055	0.7
186.09119	0.4
187.08742	0.2
189.01764	0.3
189.05516	2.2
193.01324	0.9
193.04843	0.3
195.02919	1.3
199.03909	0.9
199.08604	0.2
200.10797	0.2
201.10269	0.4
203.03383	1.7
207.02922	1.0
213.10226	0.3
216.04156	0.3
217.04977	7.9
219.02902	0.8
221.04497	0.8
227.03415	1.0
227.11804	0.4
229.04959	0.7
229.09802	0.2
231.02834	0.7
231.11295	0.4
232.03766	0.2
235.02420	0.6
235.06009	0.8
239.01866	0.4
244.03673	0.6
245.04448	9.5
245.12955	0.2
245.16495	0.3
246.07597	0.3
246.11346	0.4
255.02959	1.5
255.11191	0.4
259.11066	0.3
263.05609	1.4
272.03098	0.2
273.03946	8.4
273.12320	1.4
274.10602	0.3
275.17517	1.1
283.02383	0.4
290.04184	2.6
291.05002	0.3
291.13513	0.2
301.03522	2.0
301.11862	0.7
301.15405	0.4
318.48676	0.3
319.04495	100.0
319.16553	4.3
320.04724	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0449
Annotation	Myricetin
Peak:m/z	Relative Intensity
55.01873	1.1
64.24037	0.3
65.03918	0.4
67.01855	0.5
67.05486	0.3
68.99436	0.4
68.99791	4.3
69.03425	0.5
69.07056	0.2
69.61911	1.1
69.62331	0.4
71.04970	0.3
79.01852	0.4
79.05499	0.3
81.03407	0.8
81.07069	0.2
83.04971	0.3
85.02893	0.3
90.09979	0.2
91.05484	0.5
93.03405	0.5
94.06566	0.6
95.01340	0.2
95.04958	0.7
96.45416	0.2
97.02891	0.9
98.20718	0.3
99.08070	0.2
103.05447	0.3
104.40013	0.2
105.07032	0.5
107.01335	0.4
107.04958	0.7
108.04531	0.3
109.02863	0.9
109.06559	0.3
111.00819	2.5
111.04430	0.8
115.05468	0.6
116.17268	0.2
119.04868	0.3
119.08603	0.3
121.02883	1.2
121.06541	0.3
121.67258	0.2
123.00809	0.4
123.04463	1.5
125.02370	1.7
126.03133	1.3
127.03889	1.2
131.04927	0.3
133.02896	0.3
135.04437	1.1
136.07576	0.5
137.02351	6.5
137.03406	0.6
139.00266	0.3
139.03871	0.6
143.04921	0.3
144.08095	0.2
145.10173	0.2
147.04430	1.5
149.02361	0.4
149.05962	0.5
151.03886	1.1
153.01840	16.0
155.04837	0.3
156.06592	0.3
161.05977	0.5
161.07140	0.5
163.03949	1.1
165.01852	8.0
166.02647	0.5
167.03380	0.5
168.00648	0.3
169.01349	7.0
171.03105	0.3
171.04358	1.2
173.05968	0.3
175.03938	1.1
177.05453	1.3
179.03412	7.2
180.03802	0.2
181.01358	1.2
183.01509	0.2
183.02896	1.3
185.00876	0.4
186.09117	0.3
188.10715	0.3
189.05377	1.3
191.03329	0.2
193.01373	0.3
193.04958	0.5
195.02905	3.9
197.11371	0.2
199.03955	2.0
200.10686	0.2
203.03416	2.7
205.04973	0.4
207.02904	3.9
208.03729	0.2
216.04117	0.3
217.04971	2.8
219.02869	0.3
221.04465	1.3
226.11130	0.2
227.03270	1.3
227.11900	0.3
229.05095	0.7
229.09500	0.4
231.02856	0.6
232.03729	1.7
235.02414	0.6
244.03645	0.3
245.04456	9.4
246.04904	0.3
246.07700	0.3
249.03932	1.0
255.02901	1.6
259.02533	0.2
263.05502	1.0
273.03943	11.0
274.10681	0.5
277.12549	0.7
283.02423	1.0
290.04178	2.8
291.04767	0.5
301.03439	2.7
301.11826	0.6
302.09985	0.3
319.04495	100.0
320.04773	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.1
53.50067	1.0
55.05516	1.2
55.14019	1.1
55.93523	1.4
56.96562	2.2
58.75584	1.0
67.05516	10.0
69.03422	2.1
69.49444	4.5
69.49880	4.1
70.06587	3.4
72.21788	1.1
72.93785	2.7
80.04990	1.3
81.03423	2.9
81.07053	3.8
85.02901	5.0
91.05489	1.5
93.07053	2.3
95.04955	2.3
95.08620	8.9
96.04516	1.4
97.02889	1.4
99.04474	1.2
107.04963	1.5
109.02884	1.8
109.05250	1.4
109.35109	1.1
110.06041	4.9
110.09689	1.9
116.98616	1.3
119.04942	3.2
120.08081	1.2
121.06490	1.8
130.06543	6.8
131.04947	1.5
132.04425	1.3
133.06458	1.4
134.06053	2.0
134.99780	1.1
138.05519	4.7
138.09152	100.0
139.03828	1.6
139.09369	1.3
140.04272	1.5
146.06000	1.8
147.04466	3.3
149.03487	1.2
155.03453	1.6
155.04559	1.3
156.06703	2.6
156.08096	17.8
156.10210	74.4
157.07539	2.9
157.08635	2.7
158.06012	1.7
166.97957	1.3
185.07155	1.8
188.07149	1.3
218.52391	1.2
218.97350	1.7
224.06868	1.3
236.98480	2.4
237.06274	6.0
240.07814	1.3
253.03917	2.5
254.08211	1.5
255.07222	2.6
258.08755	2.6
272.11206	2.9
276.97903	1.6
277.03784	2.8
282.08661	3.0
295.04688	1.6
300.09845	7.9
318.06851	2.7
318.11740	8.6
319.07797	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	318.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
55.01875	0.5
55.05498	0.6
56.05128	0.3
56.05399	0.4
57.02888	0.3
57.03428	1.3
61.02919	1.5
67.05501	0.6
69.03437	3.6
69.07076	0.9
69.74714	1.8
73.02923	0.5
79.05475	0.5
81.03413	1.6
81.07036	0.3
82.06573	1.1
83.08591	0.4
85.02916	6.9
87.04478	0.7
91.03972	0.4
93.07052	1.6
95.08625	1.3
96.04498	2.9
96.08132	2.3
97.02907	2.9
97.05285	2.1
97.05865	0.3
97.06503	1.6
98.21419	0.4
100.07626	1.2
109.02872	1.0
109.06519	0.7
110.06059	7.0
110.09699	4.1
111.08077	0.8
120.08067	0.5
121.06566	0.5
125.08360	0.8
126.09161	7.7
127.03941	1.5
138.09151	17.9
139.07574	1.4
145.05022	1.3
146.06000	1.2
152.10759	0.5
156.10214	100.0
157.10551	1.1
165.07040	0.8
168.10159	1.1
180.10156	0.4
183.08078	1.3
185.96381	0.3
198.11235	0.6
199.08487	0.4
209.06067	0.4
211.07555	1.1
233.26970	0.4
236.55147	0.4
237.05446	1.1
254.28853	0.4
255.06531	2.6
256.11703	0.4
272.08896	0.7
272.11334	0.8
318.11664	3.3
318.15530	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.3
57.03432	0.8
64.86168	0.5
69.03434	2.9
69.07071	0.6
69.77509	3.1
70.06568	1.0
70.55192	0.5
71.92609	0.5
79.05460	0.6
81.03413	1.5
81.17655	0.5
81.53420	0.5
85.02905	4.0
86.09709	0.8
91.04646	0.6
91.05481	1.0
93.07032	0.7
95.04971	0.6
95.08611	0.6
96.04481	1.5
96.08120	0.7
97.02872	1.4
97.05268	0.8
98.21205	1.6
99.04390	0.6
109.02878	0.8
110.06020	1.9
110.09691	1.1
115.05444	1.3
126.09145	2.6
127.03900	1.1
129.07005	0.9
138.05482	1.9
138.09135	7.4
141.06992	3.9
145.04945	0.9
146.06027	6.8
152.06190	1.6
153.06978	8.7
154.07730	0.7
155.08578	6.5
156.06540	0.8
156.10208	33.7
159.08028	0.9
165.06998	28.0
168.05760	1.3
169.06474	4.6
170.59152	0.5
177.07007	0.8
180.10193	0.6
181.06471	11.1
183.08061	54.8
184.08415	0.7
187.07462	3.9
188.08949	1.2
193.06471	5.5
193.07712	4.7
195.08147	0.8
197.06087	0.8
199.08755	0.7
200.08954	2.9
202.10507	1.3
205.12007	0.5
209.05949	21.4
211.07544	28.2
212.04703	0.6
213.05328	0.6
215.07074	0.7
216.08455	1.5
221.07133	2.4
227.07014	6.8
230.10062	0.9
237.05467	39.8
238.05864	1.0
239.07114	0.9
241.05003	3.4
241.08572	0.9
244.11310	0.6
254.08055	1.3
255.06531	100.0
256.06924	1.8
256.11597	1.5
259.06055	2.2
265.05026	2.3
272.08972	34.9
274.12805	0.9
277.12994	0.8
282.07590	5.1
283.05972	7.1
300.08652	3.1
301.07053	8.2
318.09683	22.0
318.11938	10.8
319.04648	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48539	1.9
55.05515	10.2
57.03440	9.9
57.07081	100.0
62.19899	2.1
62.90519	2.5
67.05507	30.5
69.07076	28.1
69.48369	12.6
70.06577	2.6
71.08638	71.5
79.05495	5.6
80.77555	2.0
81.07063	34.6
82.12056	2.1
83.08254	1.8
83.08630	17.3
85.10190	36.4
88.07626	7.1
89.06025	2.6
90.21512	2.1
90.95377	2.1
91.05464	4.2
93.07016	5.1
95.08614	65.3
97.10171	9.1
98.21498	2.9
99.11737	3.9
103.07584	3.0
105.07043	6.4
107.08576	3.4
109.10162	25.3
111.11733	7.0
119.08633	4.1
121.10110	2.5
123.11693	11.4
125.13260	4.0
133.10110	2.8
137.13266	4.2
145.10124	2.0
151.14868	2.5
168.00600	4.4
169.01140	2.1
173.41068	2.0
186.01627	3.3
207.21144	2.7
225.22133	20.7
243.23174	6.9
268.92929	2.5
299.25845	57.7
302.04199	30.8
317.06540	32.6
317.21170	6.8
317.32407	27.6
318.29855	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	317.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29190	4.3
53.84566	4.6
55.05500	15.9
57.03419	10.4
57.06827	7.2
57.07081	100.0
65.61411	3.9
67.05505	33.8
69.07072	27.9
69.28202	19.9
69.28634	21.3
71.08634	71.1
79.05513	8.4
81.07068	33.7
83.08620	14.2
85.06516	4.5
85.10188	30.2
88.07618	4.9
91.05492	8.5
93.07025	7.2
95.08617	55.2
97.10169	9.2
99.08111	4.6
105.07047	6.4
109.10161	27.8
111.11735	8.4
119.08556	6.3
123.11720	13.0
133.10114	7.5
147.15329	5.2
168.00517	6.6
186.01685	8.1
225.22183	23.3
299.25845	62.8
302.04239	43.8
317.03162	7.5
317.06522	33.5
317.21313	9.6
317.24612	8.1
317.32312	26.4
318.30145	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	317.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.6
55.05509	20.7
55.19063	4.5
57.07078	13.6
59.05007	5.5
67.05505	51.1
69.07074	13.0
70.09409	17.1
73.06567	6.0
73.45794	4.9
79.05501	29.9
81.07063	47.1
86.83530	5.3
91.05483	85.2
93.07043	27.2
95.04996	5.9
95.08607	27.0
98.20780	6.6
105.07043	58.8
107.04921	5.0
107.08620	20.3
107.23203	4.5
109.10156	10.7
117.07016	39.0
119.08588	38.4
121.10151	14.1
127.00226	4.8
128.06287	5.1
129.07028	31.4
131.08578	58.4
133.10133	26.1
134.04944	4.7
135.08064	7.3
135.11757	5.6
137.02328	6.2
137.13239	5.8
141.07021	21.7
143.08585	13.7
145.10143	44.3
147.11708	13.5
149.09669	5.5
155.08586	14.8
157.10149	18.5
159.08089	9.0
159.11694	27.2
161.09705	5.5
161.13274	13.5
168.00533	8.1
169.10191	30.0
171.11676	11.5
173.09610	8.0
173.13292	17.4
175.14818	13.5
183.11768	13.8
186.01764	5.6
187.11217	13.2
187.14796	8.7
189.16388	5.7
197.13300	9.7
198.85301	6.6
199.14810	5.5
201.12738	17.3
201.16457	7.6
215.14481	6.2
217.19467	5.5
220.43901	4.8
221.87141	5.2
232.88379	9.5
234.33347	5.5
241.19498	9.3
243.21132	21.3
250.89406	32.3
257.19199	8.4
257.22614	5.4
267.21100	21.1
274.04675	5.0
274.89389	17.1
285.22202	39.0
302.04230	47.0
317.06686	48.9
317.24847	100.0
317.28397	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	317.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70018	1.5
54.12387	1.7
55.01838	1.7
55.05516	36.3
55.85239	1.6
57.03443	73.6
57.07079	8.9
67.05172	2.9
67.05511	56.3
69.03439	1.9
69.07074	27.8
69.30885	15.9
71.04996	2.8
71.08638	2.8
75.04485	36.0
79.05499	7.9
81.03427	5.8
81.07062	81.0
83.08625	26.3
85.06536	5.7
85.10201	1.6
87.00818	1.7
91.05487	3.8
93.05540	4.9
93.07066	11.4
95.08613	100.0
97.10174	33.3
99.08094	1.7
103.03954	19.7
105.07024	4.7
107.08591	6.2
109.10165	57.5
111.11709	5.9
113.05980	1.9
115.07747	1.6
119.08579	5.9
121.10166	5.8
123.11716	29.0
127.03913	4.5
129.05511	2.6
131.08578	2.6
133.10139	4.4
135.08052	2.3
135.11729	2.3
137.09697	2.5
137.13277	6.4
147.11688	2.4
149.13263	3.0
168.00583	1.8
171.11742	1.6
173.13339	1.9
178.56036	1.8
179.17964	12.5
189.16376	3.3
197.19023	10.4
207.17410	2.9
271.22894	2.9
299.16846	1.8
299.22510	9.3
300.12354	1.6
302.04193	6.9
317.06598	6.8
317.17654	2.0
317.23325	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.9
55.05260	1.9
55.05512	35.0
57.03438	69.8
57.07081	5.8
65.03951	3.1
67.05505	68.5
68.64820	1.3
69.03439	1.4
69.06723	1.9
69.07071	29.6
70.02129	2.7
70.02542	3.7
71.04986	3.9
71.08629	4.1
75.04485	36.4
79.05486	8.5
80.37585	1.1
81.03417	3.0
81.07060	72.6
83.04988	1.7
83.08620	25.0
85.02926	2.1
85.06548	5.2
91.05475	3.9
93.05520	3.9
93.07044	8.3
95.04958	3.2
95.08610	100.0
97.02883	1.3
97.06548	2.5
97.10173	23.8
98.21519	1.3
99.04429	1.4
99.08063	2.8
103.03939	15.4
103.68639	1.1
105.07018	4.1
107.08591	3.8
109.10154	50.7
111.08057	1.6
111.11705	5.6
113.06024	1.4
117.07033	1.5
119.08575	5.9
120.17528	1.2
121.10143	4.2
123.11710	27.2
127.03915	5.3
129.05516	1.4
129.06976	1.2
131.08557	1.6
133.10156	4.1
135.11661	2.1
137.09634	1.6
137.13261	5.1
138.05521	2.7
138.09096	1.5
145.09970	1.5
147.11642	2.1
149.09529	1.5
149.13313	1.3
152.07066	2.2
160.14874	1.3
161.16954	1.0
166.05026	7.0
168.00465	1.3
179.17953	11.3
180.06581	2.4
185.88702	1.3
189.16394	2.7
197.18983	10.6
207.17380	1.5
215.20082	1.5
230.90013	1.3
257.12836	1.7
271.22693	1.8
272.11514	2.5
285.12314	2.3
299.22293	9.8
302.04230	7.6
303.13303	2.1
317.06665	8.7
317.14865	14.5
317.23273	25.5
320.56326	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76659	0.3
65.28839	0.3
69.03430	0.7
70.54648	0.9
81.03389	0.4
85.02907	0.5
90.82738	0.4
91.05470	0.8
94.06577	1.9
95.04967	0.4
95.65356	0.4
97.04034	0.4
107.08549	0.4
108.04489	3.2
108.08125	0.6
109.57302	0.4
110.06046	0.4
116.55183	0.3
120.04482	0.4
120.08116	0.8
122.06042	0.9
129.06938	0.7
132.08125	0.5
134.06007	2.0
135.06749	0.4
136.07602	1.0
139.03905	0.5
141.06940	0.4
144.08093	0.8
146.05991	0.8
146.09663	0.4
156.08038	0.8
158.09677	1.3
159.09221	1.0
160.07513	0.7
161.07109	2.1
162.05556	0.4
165.07027	0.6
167.07304	0.5
168.08179	0.8
170.08423	0.5
171.06831	0.4
171.09222	2.9
172.06308	0.6
172.07584	0.9
172.11171	0.7
173.10785	2.4
181.07666	1.4
182.09663	1.0
183.07947	0.7
183.09325	0.8
184.06271	0.9
184.07664	1.2
184.09975	1.0
186.07796	2.0
186.09286	0.6
187.08675	6.9
187.12263	1.1
197.07079	0.7
197.10805	0.5
198.07748	0.6
198.09312	0.8
199.08675	18.7
199.12329	0.7
200.09242	0.7
200.10875	0.6
201.10262	6.9
203.11729	0.5
209.05978	0.4
210.09175	0.6
211.07376	0.5
212.07318	0.5
212.09465	1.1
213.10130	0.9
214.07301	0.7
215.08165	6.4
215.11816	1.3
225.10373	0.5
227.11742	1.9
229.09720	3.9
230.10394	0.6
237.05489	0.9
238.21632	0.5
240.09004	0.5
243.07581	0.5
243.11372	2.6
255.06639	2.3
255.11259	6.7
271.10785	42.5
272.11435	0.7
273.12344	2.6
289.11902	0.7
299.10196	0.5
302.04239	0.7
317.11334	100.0
318.11887	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1133
Annotation	2,6-dimethoxybenzoylsalicylhydrazide
Peak:m/z	Relative Intensity
56.22617	0.3
57.03704	0.3
65.70941	0.4
67.72879	0.3
70.62971	0.8
70.63306	0.3
78.09094	0.4
79.05492	0.3
82.06573	0.4
85.42680	0.3
94.06557	1.5
101.17089	0.4
106.06553	0.4
108.04485	3.9
110.06096	0.6
118.06540	0.6
120.04498	0.6
122.06035	0.6
129.06964	0.3
132.08130	0.4
133.07539	0.4
134.06013	1.3
136.07576	0.7
138.09132	0.6
143.07347	0.5
143.08395	0.3
144.08073	0.4
146.06017	0.4
154.06531	0.6
156.08083	0.6
156.10178	1.6
158.09666	1.3
159.09198	0.9
160.04222	0.3
160.07571	0.4
161.07115	1.5
162.05478	0.4
167.07303	0.5
168.08118	0.6
169.08887	0.4
170.09700	0.5
171.09186	3.8
172.07559	0.9
172.11310	0.6
173.10799	2.0
181.07626	1.2
182.09720	0.8
183.09238	0.7
184.06168	0.4
184.07596	1.1
184.09938	0.8
185.10759	0.5
186.07759	1.9
186.09291	0.5
187.08676	7.3
187.12329	1.2
198.09305	0.7
199.08679	20.4
199.12343	1.2
200.09259	0.8
200.10901	0.5
201.10265	5.9
210.09268	0.4
211.08574	0.9
212.09486	1.2
213.10283	0.8
214.07367	0.4
215.08183	7.0
215.11681	1.8
225.06587	0.4
225.10225	0.8
226.08742	0.5
226.11040	0.5
227.11850	2.8
229.09732	3.3
230.10461	0.5
239.08183	1.1
240.09038	0.9
243.11307	2.0
253.09796	0.6
255.11319	9.9
271.10791	40.8
272.11093	0.9
273.12341	2.5
289.11816	0.7
299.10257	0.8
317.11334	100.0
318.11633	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0657
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
53.20956	0.2
55.01871	0.3
65.03933	0.7
67.05511	0.3
68.99792	0.5
69.03423	0.3
69.76501	0.8
69.76936	0.8
79.05489	0.2
81.07060	0.6
85.06547	0.3
91.05481	0.5
92.02634	3.3
93.03411	2.5
93.07027	0.3
95.04968	0.5
95.08601	0.4
97.02876	0.4
98.20808	0.2
105.07055	0.5
107.08579	0.3
111.00795	0.5
117.07035	0.3
119.08572	0.4
121.02879	2.1
122.03648	0.4
123.04444	0.3
126.03133	1.1
129.06970	0.2
133.02820	0.3
133.66434	0.2
137.02338	0.5
137.05998	0.3
139.03922	1.5
145.10173	0.3
150.03101	0.3
151.03972	1.1
153.01836	17.1
159.11774	0.2
163.03929	0.5
165.01828	1.1
170.02116	0.3
173.05920	0.4
177.05505	0.4
179.03439	0.3
183.02834	0.4
183.04369	0.3
187.03981	0.3
200.04729	0.9
201.05476	1.6
203.03397	1.4
204.04207	0.3
206.94032	0.2
217.04974	3.9
218.05679	1.3
219.02887	0.6
228.04185	3.7
229.04982	7.5
230.05647	0.3
231.02916	1.2
245.04466	4.3
246.05286	3.3
256.03769	0.7
257.04428	4.8
260.03195	0.6
261.07718	0.7
271.06073	0.4
273.03986	3.5
274.04749	7.0
284.03226	0.8
285.03946	7.8
299.19992	0.4
301.03534	0.5
302.04230	24.2
317.06570	100.0
318.06955	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	6.8
60.73977	2.6
61.02935	3.9
63.00811	2.4
63.92006	3.0
69.03423	3.0
69.68719	4.6
69.69118	8.8
72.26527	2.7
81.03417	3.0
85.02896	5.5
95.04949	9.6
97.02873	10.3
98.20806	5.2
99.04466	8.4
105.07040	7.0
107.04965	28.8
109.07635	5.4
117.06986	3.3
119.04935	10.9
121.02871	5.8
121.06490	6.4
123.04430	100.0
128.81833	2.5
131.04910	14.1
133.06503	49.7
135.04352	3.3
139.03937	6.4
145.06493	11.0
147.04448	25.1
147.08051	14.2
149.05988	11.6
157.06505	12.8
159.04430	15.2
161.05991	26.9
165.05473	34.6
165.06731	4.5
171.08096	6.1
173.06003	22.3
175.07509	15.0
177.05476	49.5
181.06476	5.1
185.06038	12.5
187.07571	3.4
189.05490	5.4
191.06897	6.1
195.06657	2.8
199.07561	24.6
201.05492	6.3
203.07066	16.7
207.06519	5.0
207.86913	2.6
217.08672	8.2
219.06583	3.7
221.08119	33.5
227.07095	12.8
233.08086	4.7
245.08064	29.5
263.09109	13.0
281.10214	55.9
282.92160	3.2
316.12732	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	316.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37428	2.6
56.10823	2.3
64.40698	2.3
69.03423	3.9
70.26416	9.7
73.02922	2.9
81.03430	4.1
85.02917	7.3
86.93636	2.5
91.05492	3.5
95.04990	9.4
97.02893	2.8
99.04487	4.2
103.03966	9.9
105.07007	4.6
107.04964	27.0
119.04975	4.1
121.02861	4.9
121.06538	4.1
123.04448	61.1
126.05529	3.1
126.09110	4.2
131.04959	10.9
133.06500	32.3
135.04567	2.6
136.07607	5.7
145.06535	9.6
147.04431	24.3
147.08099	7.9
149.05952	8.3
151.71193	2.5
153.09180	3.0
154.08640	13.5
157.06511	17.8
159.04417	10.2
159.07996	3.8
161.06000	100.0
165.05495	26.4
171.05620	3.4
171.08125	6.8
173.05981	22.6
173.07210	3.4
175.07552	6.8
177.05493	33.4
181.06493	5.1
185.05998	15.6
191.07114	9.6
195.06526	4.6
199.07576	16.4
203.07089	16.0
205.06941	2.7
217.08609	6.0
219.06487	2.4
221.08127	9.1
227.07068	18.1
240.51430	3.7
245.08162	14.6
263.09222	8.5
267.71811	2.7
270.11530	16.5
281.10260	7.7
299.09396	7.3
316.12085	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	315.2532
Annotation	9,10-DHOME
Peak:m/z	Relative Intensity
53.03925	1.8
55.01865	3.3
55.05515	68.1
56.41962	1.2
57.03440	33.1
57.07078	32.1
67.05175	1.7
67.05507	27.6
69.03441	1.5
69.07071	96.0
69.67022	4.8
69.67429	2.3
71.04986	2.4
71.08637	18.6
73.06561	3.3
75.04473	1.9
79.05492	17.6
81.07059	37.8
81.57461	1.2
83.04981	4.8
83.08622	59.9
85.06526	2.9
85.10177	9.3
86.33886	1.3
89.03803	1.4
91.05494	2.5
93.07043	24.5
95.04999	2.0
95.08048	2.5
95.08611	29.9
97.06539	14.9
97.10174	33.3
101.06040	3.2
105.07048	1.6
107.08601	16.8
107.17307	1.3
109.10181	17.3
111.08092	9.8
111.11724	9.9
113.48978	1.5
115.07532	3.4
115.11202	1.4
121.10152	24.2
123.11736	13.9
125.09623	12.2
125.13280	2.2
129.06937	1.4
129.09122	3.9
135.07950	1.3
135.11694	19.6
137.13277	4.0
139.11172	12.6
143.08624	1.8
143.10677	1.8
149.13261	13.6
153.12799	7.7
153.13814	1.4
163.14850	6.6
167.14340	5.3
173.13156	1.4
181.15872	3.2
184.87891	1.4
205.19522	19.4
223.20593	20.2
241.21648	3.4
297.24289	12.0
315.19388	2.7
315.25323	100.0
317.99762	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2533
Annotation	9,10-DHOME
Peak:m/z	Relative Intensity
53.03939	2.8
55.01870	1.8
55.05516	66.2
57.03445	30.3
57.07079	34.3
57.83671	1.1
59.05006	1.5
59.71129	1.0
67.05513	24.5
69.07073	89.9
69.99878	5.0
71.04999	3.0
71.08639	17.8
73.06551	2.1
75.04491	1.6
79.05502	15.1
81.06581	1.7
81.07063	34.1
83.04981	4.6
83.08626	58.7
85.06541	3.2
85.10181	7.3
87.04459	3.6
91.05474	3.1
93.07048	24.7
95.08618	28.4
97.06539	16.8
97.10182	29.3
98.21400	1.8
101.06008	2.4
102.24973	1.0
105.06999	1.7
107.08606	14.3
109.10172	18.7
111.08101	9.8
111.11715	7.3
115.07578	3.9
121.10158	24.4
123.11719	12.2
125.09643	11.3
125.13260	1.2
129.09117	4.2
135.11710	22.1
137.13275	1.7
139.11185	10.0
139.14864	1.1
140.94006	1.0
143.10678	1.8
148.62891	1.0
149.13280	15.1
151.88028	1.0
153.12801	7.2
157.12241	1.5
163.14851	5.9
167.14328	3.4
167.93161	0.9
181.15929	3.5
205.19548	18.2
223.20618	16.1
241.21619	2.4
297.24307	15.3
315.25336	100.0
316.28613	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.7
55.01863	6.6
55.05269	3.2
55.05518	54.8
57.03447	34.2
57.07075	22.2
57.17459	1.8
59.04988	2.8
67.05511	39.1
67.66706	1.7
69.03434	4.4
69.07074	79.9
71.01408	4.3
71.05000	4.1
71.08640	13.6
73.06565	3.2
73.46941	1.9
79.05499	24.2
79.33801	2.0
81.07065	50.9
83.04974	9.0
83.08626	48.6
85.06538	5.0
85.10170	3.9
87.04452	3.0
91.05478	8.3
93.07060	36.4
95.08616	73.0
96.93925	2.0
97.06541	23.0
97.10181	35.9
99.08069	3.9
101.06011	4.2
105.07034	6.8
107.08612	31.8
109.06512	2.0
109.10175	26.1
111.08096	18.0
111.11754	9.4
115.07581	4.8
117.07038	2.8
119.08565	4.8
121.10149	41.5
123.08083	3.3
123.11699	4.7
125.09648	16.3
129.06970	1.9
129.09126	6.7
131.08571	9.3
135.11711	21.3
137.09666	2.4
137.13159	2.0
139.11179	15.2
145.10158	5.8
149.13243	2.8
152.26813	1.8
153.12767	5.8
159.11766	3.5
161.13261	2.2
163.11165	2.0
177.16400	52.2
187.14796	13.0
195.17451	28.4
205.15901	4.0
213.18536	3.1
223.16930	9.0
241.18031	6.7
259.19077	80.6
260.19458	2.2
297.20639	9.1
315.05008	2.6
315.08624	3.5
315.13663	3.4
315.21722	100.0
330.13327	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	315.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	1.7
54.42721	1.3
55.01878	3.6
55.05515	48.6
55.05782	2.7
57.03183	2.1
57.03444	29.2
57.07080	19.0
67.05176	1.8
67.05513	30.5
69.03448	2.6
69.07074	69.1
70.31814	3.3
70.32187	2.7
71.04983	4.5
71.08645	12.4
73.06543	5.3
79.05499	21.7
81.07065	42.5
83.04981	6.4
83.08627	45.4
85.06544	6.3
85.10180	4.6
91.05473	5.9
93.07050	29.8
95.04972	1.7
95.08612	64.4
97.06537	19.1
97.10175	30.6
99.08107	3.4
101.06010	1.8
105.07050	4.5
107.08603	29.6
109.10161	20.2
111.08091	15.6
111.11726	9.4
113.09682	1.7
115.07600	5.0
117.07046	1.9
119.08566	4.8
121.09309	2.9
121.10151	41.4
123.08055	2.4
123.11711	5.0
125.09660	15.8
129.09189	2.2
131.08566	4.2
133.10072	1.4
135.11687	22.1
139.11153	11.1
143.10684	2.0
145.10165	7.8
149.13249	3.0
152.21303	1.4
153.12788	4.7
154.10217	1.4
157.12312	2.3
159.11644	2.2
161.13214	1.7
177.16403	48.8
187.14844	18.2
193.06499	1.4
195.17462	31.6
196.24394	1.5
205.15884	4.8
213.18510	2.3
223.16940	7.5
241.18005	5.6
259.19061	90.1
260.19397	2.2
292.77167	1.5
297.20645	11.4
315.04889	1.7
315.21695	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0478
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	11.6
57.03428	6.8
58.99847	4.2
61.02927	15.9
69.03423	12.5
70.22459	15.5
70.99853	3.8
71.04994	7.5
73.02918	3.2
73.51408	3.5
81.03423	7.8
82.88902	3.2
85.02917	23.0
93.03408	5.1
97.02891	7.0
98.97591	8.3
101.00900	13.1
115.02446	5.7
116.98680	6.8
119.01921	24.8
126.98792	10.6
127.03983	11.2
131.01912	10.3
133.03471	12.1
134.09459	3.4
137.03014	4.1
143.01915	22.8
144.01898	3.6
144.71638	3.3
144.99826	45.3
145.03497	8.0
145.04988	4.4
147.04398	5.4
155.01958	4.9
156.97520	17.1
157.03491	8.6
159.01476	9.3
159.05135	4.3
161.02966	18.5
163.00903	8.7
163.03998	5.6
169.03641	9.6
170.98953	4.9
171.01384	5.2
171.05034	7.2
172.99355	17.5
173.03069	6.0
174.98709	7.6
176.02698	5.7
177.02467	12.2
182.04251	4.1
182.99217	4.4
185.03017	7.1
187.00865	6.4
187.04568	6.2
188.52759	3.5
189.00266	4.0
189.02580	4.4
191.00412	8.8
192.98741	5.9
194.99097	9.8
197.02971	13.5
198.98573	13.7
201.00037	5.9
203.04030	15.0
205.01898	11.2
211.04520	6.1
212.05391	5.0
213.00102	13.5
213.02306	5.0
215.04037	5.7
223.03000	6.0
226.56186	7.1
227.00459	6.4
227.06050	8.4
227.55997	3.9
234.04883	7.4
235.06688	24.9
239.01662	5.1
240.99763	6.5
241.99428	6.7
245.01437	11.5
245.05017	11.3
253.07751	12.4
254.99777	8.1
257.01968	4.2
261.25064	4.6
273.00912	11.5
277.44589	3.6
287.09705	7.5
301.00467	7.5
314.59619	12.2
315.02957	100.0
315.10266	29.1
333.03439	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	314.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
63.83844	4.3
69.03425	4.7
70.06584	3.9
70.16193	6.9
70.16592	9.8
72.14689	3.5
72.93803	3.6
85.02910	15.9
91.05502	6.7
95.01328	8.8
95.04968	8.2
97.02883	7.2
98.21338	6.6
103.03951	14.8
105.07007	8.2
105.63871	3.7
107.04945	10.0
119.04944	14.0
121.06496	7.8
121.21937	3.4
123.04449	75.2
131.04926	23.6
133.06483	15.8
134.05977	6.3
135.04369	6.4
137.05981	6.9
139.97441	3.3
145.06497	61.2
147.04416	100.0
149.05998	14.4
153.05415	10.1
157.06528	9.3
159.04396	11.7
159.08115	3.8
161.05978	13.9
162.06313	4.9
165.05486	38.5
169.06468	6.7
171.04420	9.4
171.08052	6.4
173.06006	68.1
175.03917	13.5
175.07631	4.8
177.05545	23.6
183.39076	3.7
185.04413	6.7
185.05995	12.7
187.07567	12.4
189.05476	21.2
191.07079	16.2
197.05962	24.5
199.07582	9.5
201.05431	21.7
215.07085	36.9
219.06558	98.1
228.14365	3.7
231.06540	8.5
233.08125	30.9
237.07594	5.2
243.06480	24.2
252.01599	3.8
261.07620	31.9
262.52188	3.8
268.13989	5.3
279.08649	47.2
306.63705	3.9
314.14020	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	314.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45244	4.8
57.13634	4.9
70.95990	13.2
91.05458	6.1
95.01332	47.1
95.04952	14.2
105.07047	5.9
107.04977	7.2
109.02931	8.1
115.05482	6.0
117.07023	9.0
119.04932	11.1
123.04449	68.4
129.07095	4.6
131.04941	18.2
133.06503	22.1
145.06506	73.4
147.04417	56.6
149.05991	10.1
152.01698	6.2
155.06015	6.8
157.06502	12.0
159.04565	6.5
159.08049	15.4
161.06009	39.8
165.05447	30.4
169.06551	11.6
171.04410	11.5
173.06003	100.0
175.03860	9.0
177.05502	5.3
185.06044	13.1
187.07602	13.4
189.05490	10.3
191.07034	9.4
197.05952	37.3
199.07605	15.2
201.05507	21.4
208.72369	5.0
215.07062	67.3
219.06563	56.8
231.06514	8.0
233.08122	36.9
243.06615	45.3
247.07803	5.0
252.10289	8.8
261.07492	26.2
279.08688	17.3
279.42862	5.1
308.64862	5.0
314.10547	6.3
314.13818	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72607	0.7
55.05301	0.8
55.05518	8.3
57.03442	20.9
57.07080	61.7
67.05177	1.0
67.05510	11.4
69.07073	12.0
69.63539	4.4
71.08636	40.6
75.04464	1.0
79.05508	1.2
79.75002	0.9
80.37582	0.6
81.07063	15.4
83.08623	14.8
83.09116	1.2
85.10188	21.1
85.84332	0.6
87.04453	0.6
87.52414	0.7
89.06024	2.3
93.07065	1.8
95.08613	24.0
97.06546	0.8
97.10181	6.1
99.11716	1.0
103.07579	2.8
105.07066	1.2
109.10159	11.1
111.11758	1.8
117.09132	1.4
121.10088	1.1
123.11705	4.4
125.09666	0.8
133.10103	0.7
137.13266	1.8
168.23712	0.6
221.22562	1.1
239.23726	4.7
257.24734	7.1
298.08469	0.9
313.10730	2.5
313.21548	3.6
313.27377	100.0
314.27542	1.6
332.99887	0.7
335.62466	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	8.4
57.03440	22.8
57.07078	63.9
60.34063	0.6
67.05173	1.0
67.05507	11.9
69.06720	0.8
69.07069	10.2
71.04984	0.9
71.08633	44.2
71.30360	1.2
78.07932	0.7
78.29015	0.6
79.05489	1.1
81.07058	16.1
82.78682	0.7
83.08141	0.9
83.08621	12.4
85.06528	1.0
85.10184	22.4
89.06043	4.9
93.07028	1.2
95.08614	23.1
97.03782	0.6
97.10170	5.9
99.11748	0.8
99.21288	0.6
103.07571	2.5
109.09449	1.1
109.10159	12.0
111.11720	1.7
117.09119	1.0
123.11687	4.4
125.13262	1.0
137.13277	1.8
187.17032	0.8
203.29636	0.7
221.22643	0.9
239.23705	4.5
257.24799	7.0
257.77573	0.7
313.27365	100.0
314.27753	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	10.0
57.03442	20.6
57.07079	67.0
58.10249	0.7
67.05176	1.1
67.05509	14.7
69.06733	0.8
69.07076	12.6
69.24716	7.8
70.05391	0.7
71.08635	44.9
73.06577	0.8
79.05495	1.2
81.07064	19.7
83.08629	13.5
85.10187	24.1
89.06033	3.6
93.07038	1.6
95.08616	26.5
97.06493	0.8
97.10177	7.0
98.20679	1.7
103.07598	2.1
109.10165	13.1
110.07150	1.2
111.08011	0.9
111.11758	1.6
117.09134	1.0
121.10167	0.7
122.07083	0.9
123.11710	4.7
125.13278	1.0
136.89359	0.8
137.13232	2.9
154.25249	0.7
165.16356	0.9
196.15274	0.7
221.22687	0.7
226.24612	0.7
239.23740	4.6
257.24756	6.9
298.08328	0.7
313.10687	2.2
313.15259	1.7
313.27371	100.0
314.27689	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	6.7
57.03445	20.6
57.07083	53.7
60.33656	0.5
66.57548	0.6
67.05173	0.7
67.05512	9.6
69.07076	11.5
69.38371	1.2
69.38782	3.4
69.51171	0.5
71.04994	0.8
71.08640	35.6
74.03836	0.6
74.16297	0.6
75.04486	0.6
79.05492	0.8
81.06580	0.8
81.07068	15.9
83.05000	0.7
83.08624	11.7
85.06544	0.7
85.10193	18.7
88.41111	0.5
89.06040	3.3
93.07056	1.3
95.07395	0.6
95.08614	19.8
97.10185	6.5
98.14151	0.5
99.11714	1.5
101.06039	0.5
103.07588	3.4
109.10168	10.9
111.11733	1.6
117.09108	0.9
123.11737	4.2
125.13300	0.8
137.13281	2.5
151.14862	0.7
221.22710	1.4
239.23782	4.0
257.24802	6.5
278.55383	0.7
298.08237	0.8
298.27402	0.8
313.27396	100.0
313.33200	2.8
314.27719	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2376
Annotation	CHEBI:132678
Peak:m/z	Relative Intensity
53.03940	1.1
55.05517	34.0
57.03441	18.2
57.07081	9.5
59.05005	2.6
65.03958	1.2
67.05511	48.9
69.07075	47.9
69.62569	0.8
69.85451	5.3
71.05002	16.3
71.08643	6.1
74.69758	0.8
79.05497	8.8
81.07066	77.2
83.08630	50.2
85.06556	6.0
85.10183	3.1
86.24336	0.9
91.05484	3.5
93.07062	12.5
95.08617	100.0
96.08909	1.2
97.06554	1.8
97.10184	30.8
98.12214	0.8
99.08101	3.2
102.62562	0.8
105.07058	2.6
107.08614	9.0
109.10166	58.5
111.08086	2.4
111.11736	14.6
113.09666	1.2
115.11252	1.5
119.08607	3.4
121.10152	15.9
123.11723	25.9
125.09660	3.1
125.13302	1.6
127.11128	1.2
129.12785	3.8
133.10136	3.5
135.11681	4.3
137.09581	1.1
137.13264	13.0
139.11218	1.5
141.12776	1.2
147.11713	6.9
151.11212	2.4
151.14838	1.5
161.13257	3.8
163.14783	1.3
165.12793	2.0
166.06943	1.0
173.13223	0.9
184.82674	0.8
193.19545	14.2
194.07419	0.8
195.45787	0.8
199.43895	0.9
203.17943	13.6
211.20587	7.9
221.19017	7.6
239.20155	5.6
249.57008	1.0
257.21140	57.4
313.10852	2.3
313.23779	56.5
313.27017	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.237
Annotation	9-Hydroperoxyoctadecadienoic acid
Peak:m/z	Relative Intensity
55.05261	2.4
55.05518	35.1
56.72219	1.9
57.03442	18.3
57.07083	13.2
59.04984	2.5
65.03947	1.9
66.91885	2.0
67.05511	45.7
68.95080	1.7
69.07075	51.9
71.05000	21.9
71.08634	5.8
71.58257	1.6
79.05500	9.1
81.07067	77.0
83.08623	48.6
85.06527	5.3
85.10156	4.3
91.05516	3.8
93.07071	9.2
95.08615	100.0
97.10183	32.0
99.08092	3.5
105.07021	4.0
107.08585	8.3
109.10164	66.2
111.08076	2.0
111.11728	14.2
115.11176	2.4
119.08585	3.9
121.10166	16.9
123.11724	27.3
125.09661	2.9
125.13196	2.2
129.12767	2.8
133.10149	5.1
135.11697	4.2
137.13272	11.4
139.11195	2.9
145.80339	1.7
147.11726	5.9
151.11108	2.4
151.14891	2.4
161.13284	1.9
167.03546	1.8
193.19551	13.4
203.17981	15.1
211.20647	4.9
221.19104	7.9
239.20074	5.4
257.21146	59.0
297.07669	4.1
298.08252	8.3
313.10641	15.7
313.23822	58.1
313.27408	4.3
314.14096	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1648
Annotation	Pestalotheol A
Peak:m/z	Relative Intensity
52.37935	0.4
53.03941	0.5
55.01863	0.7
55.05511	3.6
57.03436	0.5
57.07065	1.0
67.05512	12.0
68.99801	2.6
69.03431	0.7
69.07074	5.8
70.50472	0.8
71.05000	4.2
79.05504	3.2
81.03402	0.5
81.07065	22.1
83.04986	1.5
83.08619	2.2
84.74828	0.4
85.06544	7.1
87.00832	0.9
91.05484	2.7
92.00830	0.4
93.07053	2.4
95.04950	0.7
95.08614	21.0
97.06544	2.5
97.10138	0.5
99.08084	1.3
102.94027	0.4
105.07054	3.7
107.08607	2.6
109.06523	0.5
109.10148	1.6
111.00822	3.8
111.04424	1.4
111.08068	0.5
116.92931	0.4
119.08598	3.5
121.10141	2.9
123.04476	0.5
123.08038	1.1
123.11713	3.3
125.06049	0.4
127.03910	1.0
129.06996	0.4
133.10136	0.9
135.11729	1.0
137.13268	1.5
139.03917	2.7
147.11697	8.8
151.07492	0.5
153.09091	0.5
157.10229	0.4
161.13319	0.4
165.12769	6.5
166.34381	0.4
170.49506	0.3
183.13818	4.1
191.84421	0.4
197.12921	0.4
199.66837	0.4
201.14867	4.5
207.13742	0.6
207.51802	0.4
225.14929	2.0
267.15933	100.0
268.16287	1.6
295.21051	0.9
313.07544	0.8
313.11008	0.8
313.16425	3.3
313.21780	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0707
Annotation	3-Carboxy-6,7-dihydroxy-1-(3',4'-dihydroxyphenyl)-naphthalene
Peak:m/z	Relative Intensity
55.01880	1.7
58.87909	0.7
63.08549	0.7
65.88058	0.6
68.70614	0.7
68.99783	0.9
69.66594	3.4
69.67017	1.3
71.08627	0.7
71.48055	0.7
73.95846	0.7
80.01150	0.7
81.03408	1.9
83.04978	0.8
91.05473	1.1
94.50685	0.7
95.04976	1.5
96.13445	0.7
98.21510	1.0
103.17876	0.7
105.06963	0.7
109.02880	3.1
114.09186	0.8
121.06483	1.0
123.04421	1.3
128.06287	0.7
131.04912	3.0
135.04439	1.1
135.08069	0.8
137.02335	2.0
145.06578	0.8
152.06227	2.7
153.07025	2.0
159.04419	3.2
160.05209	21.7
161.05931	2.0
163.07640	0.8
165.07005	5.5
166.07710	1.3
167.08554	4.3
169.06506	1.0
175.03915	1.3
176.06230	5.9
177.07028	13.9
181.06505	17.2
189.09128	0.8
191.07063	1.9
193.04927	0.9
193.06526	2.3
195.08092	8.3
197.05920	1.6
199.07584	1.8
204.05708	1.0
205.06508	43.2
206.07040	0.9
207.08202	1.0
209.05965	0.9
211.07626	1.7
221.06010	28.6
222.06668	0.9
223.07555	100.0
224.07892	0.9
233.05986	22.3
234.06737	6.0
237.05423	0.8
239.07080	1.7
249.05490	22.8
250.06250	2.6
251.07054	89.3
252.07463	1.4
253.05113	0.8
267.06494	4.2
268.07285	1.0
269.08096	58.5
270.08408	0.9
272.54810	0.9
277.04965	17.9
285.07703	1.6
295.06033	55.1
296.06326	1.2
297.07455	0.8
298.08228	1.1
313.03555	1.4
313.07065	9.9
313.10767	3.3
329.28644	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18218	2.7
69.03415	2.9
69.07072	45.3
70.06598	100.0
71.55791	3.6
73.06546	11.0
77.94172	2.5
80.38270	2.6
85.02908	11.6
91.05478	3.3
97.02892	2.7
97.06525	13.0
100.04025	3.7
107.04951	6.5
112.11510	2.7
115.07573	72.7
116.07091	6.7
116.07839	2.6
119.04997	3.5
122.06032	5.3
130.02856	2.4
133.08586	20.2
135.04335	4.0
147.04474	13.7
147.08028	8.6
161.05914	2.9
163.03865	4.2
164.07060	4.0
189.05450	3.5
193.05043	2.9
196.99788	2.8
197.09209	5.6
213.12366	30.3
262.35095	3.0
312.19989	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	311.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
55.01865	1.7
55.05515	60.6
57.03155	0.8
57.03440	23.4
57.07078	28.6
63.57337	0.8
64.23580	0.7
67.05505	8.9
69.07072	65.5
70.82165	1.2
70.82502	1.6
71.04979	0.9
71.08282	1.2
71.08640	17.0
71.69709	0.8
73.02900	0.8
73.06560	0.9
79.05508	7.6
81.07063	14.8
83.04978	2.0
83.08624	57.4
85.10180	4.8
91.05463	1.8
91.10069	0.7
93.07050	6.9
95.08627	7.4
97.06557	5.7
97.10178	38.7
101.06011	0.9
107.08616	4.8
109.10155	3.2
111.08083	2.2
111.11739	11.0
121.10141	7.7
123.11699	2.5
125.09641	1.3
125.13266	2.8
132.95213	0.8
135.04390	2.6
135.11699	5.0
139.11174	1.4
149.13264	3.1
161.09575	0.9
163.14825	1.5
167.14400	1.4
184.10715	0.7
209.11777	3.3
219.21030	1.7
220.24976	0.7
237.11217	2.0
237.21857	1.0
239.45216	0.7
311.25815	100.0
312.26114	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	311.2579
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03932	3.4
55.01863	2.2
55.05513	47.0
57.03442	27.3
57.07075	28.3
57.64861	1.7
64.96089	1.3
67.05169	2.6
67.05507	37.3
69.07070	64.1
71.04994	3.7
71.08624	9.6
79.05499	19.9
81.06573	2.6
81.07059	50.1
83.04974	4.8
83.08135	2.8
83.08620	46.1
85.02889	2.8
85.06528	3.7
85.10172	2.6
91.05474	5.5
93.07049	24.7
95.04968	3.3
95.08611	33.2
97.06534	9.6
97.10169	22.3
99.08082	3.2
105.07061	2.6
107.08586	15.5
109.02945	1.5
109.10173	11.4
111.04441	5.9
111.08089	7.4
111.11729	5.4
117.82957	1.3
117.92427	1.4
121.10146	21.3
122.95882	1.4
123.11720	6.2
125.05991	4.2
125.09621	3.5
135.04445	2.8
135.11684	14.7
137.13266	6.1
139.11176	4.3
141.12714	1.7
149.13272	7.8
153.05464	5.5
161.09677	2.2
163.14891	2.3
181.12363	1.7
191.10681	3.1
209.11746	32.4
209.13640	2.2
219.21060	9.5
231.30318	1.7
237.11212	28.5
237.22131	6.1
255.12273	7.1
293.17786	1.6
293.21097	7.0
311.25830	100.0
312.26004	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.4
55.01863	2.2
55.05513	47.0
57.03442	27.3
57.07075	28.3
57.64861	1.7
64.96089	1.3
67.05169	2.6
67.05507	37.3
69.07070	64.1
71.04994	3.7
71.08624	9.6
79.05499	19.9
81.06573	2.6
81.07059	50.1
83.04974	4.8
83.08135	2.8
83.08620	46.1
85.02889	2.8
85.06528	3.7
85.10172	2.6
91.05474	5.5
93.07049	24.7
95.04968	3.3
95.08611	33.2
97.06534	9.6
97.10169	22.3
99.08082	3.2
105.07061	2.6
107.08586	15.5
109.02945	1.5
109.10173	11.4
111.04441	5.9
111.08089	7.4
111.11729	5.4
117.82957	1.3
117.92427	1.4
121.10146	21.3
122.95882	1.4
123.11720	6.2
125.05991	4.2
125.09621	3.5
135.04445	2.8
135.11684	14.7
137.13266	6.1
139.11176	4.3
141.12714	1.7
149.13272	7.8
153.05464	5.5
161.09677	2.2
163.14891	2.3
181.12363	1.7
191.10681	3.1
209.11746	32.4
209.13640	2.2
219.21060	9.5
231.30318	1.7
237.11212	28.5
237.22131	6.1
255.12273	7.1
293.17786	1.6
293.21097	7.0
311.25830	100.0
312.26004	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2582
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03959	4.2
55.01871	7.4
55.05264	3.8
55.05516	46.3
57.03437	5.0
57.07083	20.0
60.12996	2.1
61.77685	2.0
63.31897	2.2
64.76669	2.6
65.03947	3.7
67.05510	51.2
69.03426	5.4
69.06719	4.6
69.07075	69.0
71.04995	6.6
71.08627	10.7
71.56291	3.6
71.56652	3.1
73.06555	3.0
79.05495	24.3
80.20935	2.1
81.03444	3.4
81.07066	100.0
83.04984	7.9
83.08626	48.0
85.06535	6.6
85.10189	4.8
91.05489	10.2
93.07050	34.6
95.04979	6.9
95.08614	92.3
97.06541	25.2
97.10187	37.0
99.08095	7.1
100.11252	5.1
105.07035	7.6
107.04979	3.7
107.08598	27.2
109.06540	3.3
109.10165	69.4
111.08099	11.6
111.11714	8.3
117.07023	4.4
119.08588	9.1
120.23494	2.6
121.10159	32.9
122.09693	2.7
122.47893	2.7
123.08041	2.8
123.11730	28.9
125.09651	8.5
129.09082	2.7
131.08594	8.3
133.10117	4.4
135.11707	16.0
137.13303	7.0
139.11185	7.2
141.06995	3.9
145.10167	5.8
147.11696	5.2
149.13274	8.0
151.11285	3.2
153.12794	4.0
155.08620	2.8
157.10187	5.0
159.11687	3.6
161.13388	3.3
163.11182	3.7
169.10109	3.2
177.16415	22.2
187.14693	3.4
195.17474	11.1
227.33487	2.6
237.18486	3.9
247.24286	3.6
265.25287	20.3
275.23709	23.0
279.11359	4.9
293.24768	96.2
294.24969	3.1
302.14450	5.6
311.09720	3.4
311.12839	16.0
311.16357	5.1
311.20096	11.4
311.25909	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	311.2582
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
50.06534	0.5
51.91242	0.5
53.03956	2.6
55.01875	1.5
55.05515	23.7
57.03443	11.2
57.07078	12.2
67.05508	17.2
68.99800	0.6
69.03453	0.6
69.07072	29.0
69.44854	3.1
69.45267	1.1
71.04992	1.2
71.08639	4.4
71.88555	0.6
79.05490	9.7
81.07061	21.9
83.04991	1.9
83.08624	22.7
85.06540	0.7
85.10175	2.2
91.05465	3.4
92.02645	0.9
93.07051	10.5
95.04959	2.7
95.08616	15.4
95.09233	0.8
95.85506	0.5
97.06508	3.8
97.10184	11.2
99.08089	0.7
105.07036	2.6
107.04967	1.2
107.08609	8.8
109.06512	0.5
109.10162	7.5
111.04460	2.2
111.08085	2.7
111.11716	2.1
113.09660	0.6
117.07016	0.6
119.08520	0.6
121.10156	10.3
123.11726	3.1
125.06023	3.5
125.09634	1.8
131.08588	0.6
133.10194	1.2
135.04427	100.0
135.11697	7.4
136.04782	2.0
137.13274	2.4
139.11197	1.7
143.80527	0.6
146.07259	3.0
149.13283	4.0
150.06671	1.0
151.11209	0.6
153.05466	2.4
153.12746	0.8
161.09627	42.6
162.09987	0.9
163.11211	0.7
163.14839	2.0
173.13245	0.5
177.16429	0.8
181.05020	0.8
181.12259	0.7
191.10797	1.0
209.11742	11.3
219.21098	3.3
237.09023	1.1
237.11235	11.1
237.22104	4.5
255.12367	2.1
267.13193	0.5
275.19913	0.9
293.21133	1.0
296.66339	0.5
311.16522	2.9
311.25836	54.6
312.26138	0.8
312.32596	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	311.2582
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
50.04373	0.6
53.00302	0.8
53.03937	1.5
55.01882	1.5
55.05516	57.7
57.03441	21.9
57.07079	25.9
57.98431	0.7
67.05510	8.7
69.07074	64.6
69.52055	3.4
70.64735	0.6
71.05003	0.8
71.08641	15.1
73.02898	0.6
73.06596	0.7
79.05500	5.4
81.07065	10.0
83.04979	2.0
83.08625	52.4
85.10185	5.3
91.05497	1.0
93.07045	6.4
95.08617	8.4
97.06543	6.3
97.10176	38.3
98.10513	0.7
107.08624	5.6
109.10169	3.9
111.08092	2.1
111.11729	11.1
112.43205	0.7
121.10164	6.8
123.11713	1.2
125.09639	1.6
125.13273	2.5
129.05573	0.6
135.11722	5.6
137.13280	0.8
139.11215	1.1
149.13255	2.6
153.12752	0.8
163.14835	0.8
177.16319	1.1
209.11691	0.6
219.21069	1.5
237.22057	0.9
311.25821	100.0
312.26138	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	311.2581
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03933	2.9
55.01863	1.6
55.05514	58.2
57.03440	24.8
57.07080	30.6
60.26757	0.8
67.05172	1.1
67.05506	13.2
69.07071	70.4
71.08632	17.9
73.02915	0.8
73.06537	0.9
79.05503	9.1
81.07065	16.3
83.04988	3.9
83.08622	58.8
85.06514	1.2
85.09698	1.1
85.10174	6.7
91.05492	2.0
93.07043	8.8
95.04965	1.3
95.08616	12.1
96.20043	0.8
97.06532	7.7
97.10173	42.4
99.08087	0.9
105.07018	1.1
107.08591	6.5
109.10165	5.7
111.04477	3.8
111.08100	3.0
111.11720	12.2
119.08561	1.0
121.10140	7.5
123.11681	1.8
125.06003	1.4
125.09628	3.2
125.13278	2.5
131.21774	0.8
135.04428	1.8
135.11714	7.1
137.13272	1.1
139.11176	2.4
148.63177	0.9
149.13246	3.0
153.05475	2.4
153.12752	1.4
161.09621	1.2
163.14848	1.4
167.50919	0.8
167.80145	0.7
181.12267	1.9
191.10597	2.1
209.11740	12.9
219.21059	2.6
237.11205	13.5
237.22232	1.4
255.12227	2.7
265.58505	1.0
288.15726	0.7
293.17584	0.9
293.21143	1.8
298.02911	0.8
311.25812	100.0
312.26141	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.5
55.05513	57.3
57.03440	30.8
57.06818	4.3
57.07079	41.8
57.62559	3.2
60.14590	2.8
67.05505	39.1
69.03450	4.2
69.07072	55.9
71.04967	3.8
71.08624	8.4
71.56886	3.6
71.57245	4.1
73.95323	3.1
79.05492	17.0
81.07060	52.4
83.04985	8.0
83.08627	43.4
85.10148	3.0
91.05494	5.6
93.07040	26.4
95.04952	3.2
95.08620	38.8
97.06537	8.2
97.10161	22.2
99.08015	2.6
106.20142	2.6
107.08609	17.7
109.02863	3.1
109.10176	17.0
111.04436	14.3
111.08112	8.7
111.11714	6.8
111.70594	3.2
121.06484	3.3
121.10138	22.8
122.94094	2.7
123.11719	11.3
125.05983	3.4
135.04443	7.6
135.11713	19.4
137.13251	5.4
149.05980	22.4
149.13289	7.2
153.05458	15.7
153.12917	3.7
161.09676	7.7
163.11426	3.9
163.14854	3.8
181.12216	5.1
191.10596	4.7
209.11758	70.8
219.21150	5.9
237.11249	59.6
237.22253	7.3
255.12354	11.2
311.25842	100.0
316.67407	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	311.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
53.10119	0.8
55.01878	1.7
55.05515	63.3
57.03440	25.4
57.07080	31.9
67.05213	1.0
67.05506	10.5
69.07072	68.7
69.93032	0.8
70.81952	1.6
70.82334	1.3
71.04972	1.0
71.08635	18.5
73.02911	1.4
73.66499	0.8
79.05503	5.6
81.07063	13.9
83.04976	1.7
83.08624	59.4
85.10188	7.8
91.05461	1.2
93.07040	6.2
95.08617	9.5
97.06536	6.0
97.10178	43.9
101.06009	1.3
105.07044	0.9
107.08585	5.7
109.10151	4.4
111.08111	3.7
111.11718	10.3
115.07574	1.2
121.10146	7.6
123.11698	2.2
125.09590	1.8
125.13321	2.4
135.04443	1.3
135.11678	6.3
139.11163	1.6
149.13246	3.2
153.12741	0.9
161.09639	1.0
167.14317	1.1
170.47975	0.8
174.91687	0.8
209.11739	2.4
219.21185	1.7
237.11206	2.6
237.22145	1.9
311.25815	100.0
312.26120	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2581
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03944	1.7
55.01869	1.1
55.05515	57.4
57.03440	23.0
57.07079	27.6
67.05508	8.4
69.07072	60.4
69.86510	3.9
70.13190	0.7
71.04997	0.9
71.08282	1.3
71.08636	15.8
79.05506	4.9
81.07064	12.4
83.04948	1.4
83.08624	53.5
85.06562	0.8
85.10186	7.3
91.05539	0.8
93.07052	7.1
95.08615	9.6
97.06554	4.8
97.10179	37.1
98.21503	0.9
107.08595	4.9
109.10151	3.1
111.08065	2.2
111.11735	9.7
121.10141	7.6
123.11687	2.2
125.09623	2.6
125.13277	2.9
129.05536	0.9
135.04430	3.9
135.11710	6.3
137.13271	1.1
139.11166	0.8
149.13251	2.6
153.05492	1.1
153.12784	0.9
161.09663	1.7
163.14845	1.6
209.11754	2.6
219.21100	1.6
237.11266	3.7
237.22102	1.7
255.12244	1.0
262.22800	0.8
311.25821	100.0
312.26047	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69586	4.1
53.03934	5.5
55.01867	7.4
55.05516	34.6
55.69807	5.1
56.98676	4.2
57.03434	11.0
57.07083	26.6
59.06124	4.9
67.05515	45.5
69.07074	63.1
71.08626	8.0
72.08164	6.9
75.79307	4.1
79.05507	28.3
81.03425	7.4
81.07058	50.7
81.24018	4.1
83.04969	7.5
83.08614	22.9
91.05473	43.2
93.06470	6.5
93.07046	100.0
95.04970	49.6
95.08617	94.4
95.09214	3.7
97.06512	24.9
97.10178	11.1
105.07029	57.5
107.08595	50.7
109.06512	14.5
109.10178	32.9
111.04466	5.0
111.07997	5.2
111.11742	4.7
115.05451	5.6
117.07004	17.1
119.08587	67.4
121.06491	18.3
121.09325	4.6
121.10162	54.6
123.08079	12.5
123.11687	14.9
128.06207	6.3
129.07004	7.4
130.07823	6.3
131.08560	23.7
133.10127	42.4
135.04419	72.1
135.08037	11.0
135.11681	15.4
137.09679	5.7
137.13226	5.2
142.07764	10.2
143.08575	15.7
145.10147	35.7
146.07253	4.7
147.11671	19.0
149.13280	10.2
153.05457	8.2
157.10089	28.4
159.08145	4.6
159.11694	43.6
161.09630	71.3
161.13271	9.1
167.68869	4.8
169.10118	8.9
170.11028	5.4
171.11697	14.8
173.13220	10.7
175.14841	9.9
177.16414	15.9
183.11829	4.4
185.13254	13.1
187.14815	6.2
189.16425	13.4
191.10670	5.6
195.11711	7.3
199.14853	7.9
201.16367	8.6
203.17873	4.7
209.11674	32.4
209.13278	3.8
213.16417	7.4
215.17953	7.1
217.15828	4.9
225.89336	4.4
237.11259	24.6
255.12360	6.4
255.20996	6.4
293.22693	5.4
311.16498	34.1
311.23712	24.9
311.31369	22.1
328.88013	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	311.2218
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03941	1.8
55.01869	3.2
55.05516	19.6
57.07080	13.0
65.37134	1.2
67.01868	3.8
67.05516	9.4
68.99797	20.5
69.03432	2.2
69.06724	2.1
69.07075	27.8
69.60799	1.0
70.63091	2.3
70.63433	1.6
71.04988	2.2
71.08632	4.4
74.06117	1.1
79.05495	8.2
81.03392	1.5
81.07071	12.1
83.04987	6.7
83.08630	14.7
91.05471	3.5
93.07054	10.2
95.04975	1.2
95.08612	7.5
97.02898	2.7
97.06532	8.2
97.10178	9.3
97.48756	1.0
99.04466	1.1
104.30759	1.2
107.04981	2.6
107.08601	7.0
109.02874	1.0
109.06490	2.0
109.10174	5.4
111.00814	40.6
111.04427	10.6
111.08078	4.6
111.11728	1.4
119.08579	2.0
120.30422	1.1
121.10159	10.5
123.08056	1.5
123.11683	2.2
125.05974	5.0
125.09635	3.1
125.13259	1.1
126.03089	2.2
127.03931	11.6
131.08597	1.8
133.10114	1.8
135.08090	2.7
135.11696	8.5
135.89757	1.0
137.09557	1.3
139.03912	26.7
139.07541	2.7
139.11172	1.6
145.10069	1.9
149.05965	1.8
149.09618	1.8
149.13225	3.4
153.05466	4.0
153.09061	2.4
153.12762	1.2
157.08537	1.3
159.11732	1.3
163.11214	1.8
163.14819	1.3
167.07050	4.7
167.10748	1.8
167.14346	1.3
171.10201	1.4
177.12692	1.4
181.08601	4.5
181.12262	3.1
185.11771	2.3
191.10658	2.0
191.17955	2.9
195.10175	7.2
195.13875	2.1
199.13312	1.9
205.19510	1.2
209.11739	20.0
209.15331	1.1
209.19157	1.4
213.14903	1.6
215.18011	3.0
223.13293	10.4
233.19069	2.5
237.11317	7.3
237.14841	16.2
247.20613	1.6
251.16476	7.7
251.20056	9.4
255.12239	1.5
269.21066	1.7
275.20068	1.4
293.21121	100.0
294.21432	1.6
311.18777	1.1
311.22153	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	311.2218
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03955	1.1
55.01874	4.7
55.05265	1.1
55.05515	19.7
57.03449	1.4
57.06820	1.6
57.07080	19.5
65.03926	1.0
67.01868	3.6
67.05515	10.7
68.99796	17.7
69.03455	2.5
69.07072	27.1
70.32157	3.7
71.01366	1.2
71.04999	1.3
71.08635	5.4
73.42197	1.0
73.81345	0.8
79.05502	7.8
81.03440	1.8
81.07065	12.1
83.04985	8.1
83.08622	17.2
85.02934	1.5
87.00842	1.5
91.05493	3.9
92.65870	0.9
93.07047	11.0
95.04937	1.7
95.08616	9.3
97.02873	2.8
97.06544	10.6
97.10168	10.0
105.07024	3.4
107.04974	2.9
107.08588	9.7
109.06496	2.5
109.10158	6.0
111.00813	43.2
111.04444	15.3
111.08097	4.1
111.11736	2.3
113.02377	1.1
119.08636	2.5
121.06522	2.7
121.10159	9.2
123.08039	1.1
123.11729	3.0
125.05995	5.6
125.09652	2.9
126.03201	1.9
127.03923	13.2
131.08594	1.9
133.10167	2.1
135.04419	1.7
135.08078	3.6
135.11694	7.3
137.09590	1.5
139.03914	25.4
139.07550	3.4
139.11165	2.0
145.10167	2.6
149.02275	0.9
149.09595	3.0
149.13295	3.7
153.05501	7.9
153.09146	2.1
153.12788	1.2
157.08734	1.2
159.11694	1.7
163.11188	4.1
167.07060	2.5
167.10670	3.6
167.14352	1.6
171.10239	2.1
173.13297	1.1
181.04997	1.0
181.08652	4.1
181.12276	5.1
182.37607	0.9
185.11661	2.7
191.10681	3.0
191.14388	1.6
191.17903	2.2
193.04906	2.7
195.10204	6.3
195.13834	2.4
205.19543	1.7
209.11751	41.1
209.19002	2.0
213.14940	1.6
215.18010	2.3
219.10097	0.9
223.13326	11.8
225.50858	1.0
233.18971	2.5
237.11244	28.2
237.14847	11.2
247.20598	1.4
251.16411	5.7
251.20061	7.1
255.12352	5.5
269.21176	3.0
275.20078	1.4
293.21124	100.0
294.21463	1.4
311.19177	0.7
311.22012	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	311.1853
Annotation	7-O-Demethyl-18-hydroxy-albocycline
Peak:m/z	Relative Intensity
55.01863	1.9
55.05517	11.7
55.62964	0.9
57.03442	1.7
57.07081	5.2
67.01853	2.0
67.05512	6.2
68.99786	8.5
69.03435	1.1
69.07078	14.0
69.89684	4.7
71.08656	0.9
79.05508	5.6
81.07059	10.1
83.04978	4.0
83.08623	11.0
91.05478	1.6
93.07050	7.1
95.08617	8.2
97.02896	1.1
97.06548	6.6
97.10165	6.8
98.21465	1.7
105.07043	1.4
107.04904	1.1
107.08591	5.8
109.06478	1.2
109.10201	2.3
111.00819	23.7
111.04465	4.6
111.08072	2.5
111.11766	1.1
113.05997	1.0
117.07059	0.9
119.08585	1.4
121.10153	6.6
122.93565	0.9
123.11720	2.0
125.06011	2.3
125.09576	1.7
126.03111	1.4
127.03946	6.8
131.08603	1.4
135.08076	2.6
135.11702	2.7
137.09642	1.3
139.03922	13.6
139.07547	1.6
139.11165	1.3
145.10112	1.6
149.09615	1.3
153.09184	1.6
163.11238	1.1
163.14864	2.5
167.07071	1.4
167.10669	1.7
171.10104	1.7
177.16431	1.8
181.08635	2.9
185.11670	1.1
187.14966	1.1
195.10233	3.1
205.15895	1.7
208.21448	0.9
209.11755	3.9
223.13329	2.3
223.16948	5.7
241.17957	1.7
247.17027	1.1
265.17996	36.1
275.16449	1.6
293.17493	100.0
294.17816	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1126
Annotation	beta-Allamcidin
Peak:m/z	Relative Intensity
52.93063	2.1
53.03939	2.8
54.97980	2.3
55.01868	3.7
56.05029	2.5
57.31840	1.9
57.32246	1.8
61.02927	17.8
65.03945	3.0
67.05498	3.4
69.03414	5.3
70.06588	2.3
73.02896	4.3
81.03415	2.8
81.07021	2.3
84.07693	3.0
84.08154	44.5
85.02905	5.5
89.03932	2.9
91.03935	3.0
91.05471	6.5
97.02875	7.6
99.04440	2.3
103.03934	7.4
103.05500	11.5
105.03389	2.2
107.04945	7.2
109.02868	2.4
109.10095	2.2
111.04419	2.9
115.05447	13.0
117.03382	3.2
117.07044	26.9
119.04945	5.6
121.02882	27.2
123.04414	2.9
125.06033	2.2
126.28696	2.0
127.03919	3.0
129.07034	3.7
131.04956	25.1
131.08531	2.2
133.06496	4.9
135.04419	5.1
137.06003	19.8
141.01871	2.6
141.06993	7.0
143.04921	8.6
144.05717	4.9
145.02896	5.0
145.06485	35.8
146.03615	1.9
147.04440	17.3
148.05046	2.8
149.02367	24.3
149.06003	25.8
151.03931	7.9
152.07086	3.5
153.05559	5.4
153.06941	2.5
154.26344	1.9
155.04935	3.0
157.06480	4.0
159.04410	7.8
160.05211	7.3
161.05934	11.7
162.03192	5.2
162.06827	6.6
163.03876	7.6
163.07585	11.4
164.04407	6.3
165.05522	2.5
169.06522	4.7
171.04446	3.9
173.06009	3.6
175.03893	6.1
175.07582	12.6
176.04759	10.9
177.05493	100.0
177.09067	20.4
179.03407	3.8
179.07025	10.6
181.04956	3.4
182.11778	3.9
187.07532	15.9
189.05450	12.1
189.09073	2.7
190.06247	2.8
191.07036	64.4
192.04211	3.3
193.04947	5.8
193.08569	2.5
195.06593	3.1
199.03775	2.3
200.04773	2.6
201.09099	6.0
203.07054	34.4
205.05034	2.7
205.08582	10.6
207.06538	6.0
211.07655	2.9
215.07024	28.8
217.08609	8.7
219.06511	4.4
221.04495	3.8
221.08131	19.6
227.07143	2.8
229.08598	15.0
231.06659	2.3
233.08130	8.9
237.05444	4.5
242.33713	2.2
245.08131	6.2
251.07065	3.2
253.03850	4.4
257.08023	11.4
265.19174	5.3
275.09256	6.2
283.05939	2.5
293.07321	2.9
293.10367	17.2
311.05716	3.2
311.11285	83.2
311.16550	3.2
311.19421	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	310.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
53.39185	0.7
55.05510	1.5
57.07067	1.2
59.05005	1.2
67.05518	6.3
67.39875	0.7
69.03422	1.5
69.07050	0.8
70.86092	2.0
74.02425	0.9
79.05503	1.9
81.06635	1.1
81.07063	10.7
86.09712	100.0
91.05486	6.0
93.07045	16.4
95.04939	2.5
95.08614	14.3
95.09174	1.7
105.07038	14.1
107.08597	15.2
107.15767	0.9
109.06518	8.6
109.10166	32.5
119.08592	17.4
121.06493	2.4
122.07276	2.3
123.08070	2.0
123.11716	16.8
128.10713	2.4
132.10211	42.5
133.10138	75.8
135.08153	0.8
135.11697	7.2
137.09625	36.5
151.11198	28.1
156.10178	1.1
161.09639	15.2
169.12294	1.1
178.04944	1.1
178.75383	0.9
179.10686	88.0
180.11026	1.0
181.47255	0.8
246.18503	6.4
264.19595	30.4
292.19122	14.2
295.13696	1.0
310.20142	58.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1286
Annotation	Sporovexin C
Peak:m/z	Relative Intensity
52.13946	1.6
55.01875	4.3
56.96561	6.8
57.03433	5.4
61.02927	3.6
61.95655	1.6
66.96011	1.4
67.05504	2.8
69.03432	24.1
69.07076	2.9
70.06572	3.8
71.04984	3.4
71.55820	2.1
73.02905	4.4
73.52931	1.5
79.05491	6.6
81.03413	5.5
84.04497	3.0
85.02921	16.8
85.06550	7.6
87.03218	17.4
87.04411	1.7
88.04017	1.4
88.57614	1.5
89.03922	2.3
91.05487	35.4
95.04976	1.6
96.04468	2.1
97.02901	26.3
98.97575	4.8
99.04444	7.4
100.03930	1.6
103.05476	23.9
104.05818	2.3
105.07034	17.5
107.04964	9.5
109.02863	3.4
110.97636	1.9
112.03978	24.1
113.06012	13.8
115.05465	5.0
116.07140	1.7
116.54807	1.5
116.98607	2.6
117.03387	2.1
117.05768	2.4
117.07017	2.6
118.06503	1.6
119.04929	3.4
119.07344	3.6
120.08118	100.0
127.03937	16.1
128.06264	1.8
128.98563	2.3
129.06992	5.6
129.88376	1.4
130.06526	17.7
131.04961	11.0
131.07062	14.3
132.05269	1.7
132.08107	74.8
134.09668	4.9
135.04451	7.2
143.05811	13.5
143.08549	2.0
144.08080	13.5
145.02846	3.3
145.04974	2.2
145.06474	3.0
145.10002	1.5
146.09613	1.7
147.04430	8.2
149.02124	3.8
149.05986	4.9
150.06378	3.7
150.09154	2.2
156.08066	7.8
158.09688	2.2
161.06914	8.3
162.09171	7.7
163.03923	26.5
166.08655	41.7
171.08102	4.3
174.09134	2.4
176.07040	1.5
177.05492	2.1
178.08644	18.8
182.09627	1.8
186.09090	3.0
190.08647	3.1
193.05032	3.0
198.09126	6.2
202.08691	4.2
204.10336	1.9
205.01701	1.6
210.09181	3.6
214.12978	1.9
219.01810	1.9
228.10220	2.5
232.14026	2.4
244.09703	9.3
246.11232	17.6
258.17722	1.6
264.09579	3.3
264.12332	60.6
269.03467	1.8
270.03525	2.1
282.13351	6.1
292.11807	77.1
293.03430	1.7
310.12863	60.6
311.04282	2.0
311.07501	13.1
320.58347	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20059	0.3
63.02363	0.4
63.47557	0.3
63.50656	0.4
72.08147	0.9
74.06069	0.9
79.05486	1.5
84.04515	2.4
84.08153	1.0
86.09710	1.3
87.06513	0.3
89.03917	7.0
102.05544	0.5
104.05841	0.4
107.04980	2.7
117.03385	9.6
119.04937	0.5
123.04456	0.8
129.10246	0.4
130.05003	3.3
130.08664	0.4
135.04427	19.0
137.05952	0.4
139.03810	0.3
139.63919	0.3
140.04288	0.4
142.32465	0.3
145.02850	13.7
145.03981	0.8
147.04427	1.4
147.11295	0.6
147.62038	0.3
148.04759	1.2
148.06062	3.2
163.03915	100.0
164.04340	0.4
164.09325	0.6
165.21062	0.4
176.07266	0.3
177.05452	0.5
178.05067	0.7
186.05556	0.4
190.08629	0.4
195.53262	0.3
203.54147	0.4
232.14070	0.5
238.13867	0.3
262.14331	0.4
274.14435	0.4
292.11832	0.3
301.40640	0.3
328.58118	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2425
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
50.23938	1.7
53.03951	16.1
55.01870	8.4
55.05511	28.0
57.03420	4.2
57.07068	7.9
59.04996	2.2
67.05506	62.1
69.03414	2.5
69.06718	3.3
69.07071	45.6
71.04990	2.5
71.08630	4.8
79.05062	3.0
79.05499	40.5
81.03423	68.5
81.07061	62.2
83.04988	16.9
83.08623	17.3
85.06545	2.9
85.10180	2.8
91.05484	25.0
93.07052	41.6
95.04983	39.9
95.08604	29.8
97.06540	6.9
97.10177	11.9
97.17802	1.9
98.21535	4.6
99.08076	4.9
100.66299	2.2
105.07031	29.3
107.04951	3.3
107.08599	28.2
109.06540	11.6
109.10168	20.3
111.08041	5.8
117.06992	5.8
119.04833	2.0
119.08590	20.6
121.10159	12.2
123.08078	3.4
123.11704	8.3
125.09643	16.2
129.07047	3.0
131.08565	6.3
132.09300	2.6
133.06491	2.2
133.10165	18.2
133.63950	2.1
135.08041	8.8
135.11694	10.7
143.08537	2.6
147.04396	2.9
147.08121	2.1
147.11705	40.7
149.09641	3.4
149.13257	8.1
151.11189	49.2
151.54591	1.9
153.09068	7.7
153.12793	2.2
157.10175	4.3
159.11635	3.5
161.13284	13.8
163.14786	4.5
165.12759	8.8
171.10220	2.2
171.11700	3.6
173.13301	3.4
175.14799	5.8
179.14290	7.2
185.13228	5.9
189.12862	3.3
203.12790	6.9
207.13774	6.1
213.12753	3.6
231.13774	4.6
231.21118	9.6
241.19426	6.6
249.22162	6.1
259.20471	9.6
277.21637	100.0
309.08234	3.6
309.24289	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	309.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.3
53.55006	1.7
55.01872	4.2
55.05515	13.1
57.03428	6.2
57.07075	4.0
59.04976	3.1
65.03928	5.2
67.05169	2.5
67.05506	38.0
69.07068	17.4
70.77080	3.3
71.04980	3.1
79.05067	2.0
79.05505	30.1
81.03402	3.6
81.07062	42.8
83.04977	3.6
83.08631	8.5
91.04958	3.2
91.05484	43.0
93.07052	70.5
95.04977	53.6
95.08615	37.9
97.06535	18.0
97.10142	1.9
99.08108	2.0
103.05460	4.5
105.04533	1.7
105.07040	79.5
107.04954	3.1
107.08598	32.7
109.06520	11.7
109.10163	23.4
115.05438	3.7
117.07021	17.0
119.07795	3.3
119.08593	55.5
121.06521	8.8
121.10147	100.0
123.08062	11.0
123.11700	7.2
128.06238	9.8
129.07010	16.0
130.07773	6.0
131.08577	34.8
133.06497	3.3
133.10124	38.1
135.08037	5.0
135.11748	10.6
141.06966	5.8
142.07780	14.5
143.08571	23.9
144.09297	6.4
145.06464	4.3
145.10136	46.2
147.04399	2.5
147.08034	5.6
147.11700	9.2
149.09546	3.4
149.13251	2.1
153.06911	2.3
154.07722	4.0
155.08591	9.8
156.09332	8.7
157.10141	34.5
158.10925	4.2
159.08035	4.4
159.11714	36.9
161.06012	3.2
161.09612	7.6
161.13261	6.3
163.11147	2.2
167.08546	3.5
168.09343	3.3
169.10149	17.2
170.10895	4.0
171.11745	18.7
172.12373	2.0
173.09575	2.5
173.13239	16.5
175.11125	3.1
175.14798	5.3
179.08495	4.8
181.10097	5.7
182.10938	2.7
183.11696	12.7
184.12386	1.7
185.13252	14.9
187.11151	9.3
187.14879	13.3
187.73924	1.9
189.12729	5.8
192.09258	2.0
193.10121	3.3
194.10938	2.2
195.11690	7.8
196.12488	2.9
197.13278	12.4
199.14850	8.5
206.10870	3.9
207.11678	6.0
209.13232	7.5
211.14816	10.0
213.12811	4.6
213.16409	3.0
215.14375	2.5
217.15665	1.9
220.12482	2.3
221.13239	4.3
223.14745	3.7
224.82907	1.9
225.16354	4.1
229.15874	2.2
231.13802	13.5
233.09422	1.9
234.95050	2.0
235.14787	7.5
237.16301	3.6
239.14365	2.1
239.18036	4.2
253.15845	5.6
265.19455	2.7
273.12680	2.5
281.22632	5.8
289.76016	1.8
291.21121	9.0
309.22067	69.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2213
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
53.03934	5.8
53.50977	3.1
55.05514	22.6
57.03438	9.1
57.07067	3.8
67.05509	43.9
69.07085	23.9
69.79909	15.8
71.08630	9.1
76.83395	3.3
79.05497	36.4
81.03394	5.6
81.07066	48.5
83.08618	13.1
84.54873	3.2
91.05492	43.3
91.71570	4.2
91.95789	3.5
93.07050	70.8
95.04975	49.3
95.08615	47.4
97.06539	13.0
99.08073	5.8
105.07040	91.3
107.08593	34.9
109.06530	8.4
109.10165	22.9
115.05482	3.5
117.07002	21.1
119.08591	64.4
121.06514	8.2
121.09306	6.8
121.10150	93.2
123.08076	9.3
123.11680	7.1
128.06209	9.9
129.07025	18.7
130.07791	6.8
131.08586	40.4
133.10139	44.2
135.08069	8.9
135.11674	12.8
141.07001	9.3
142.07773	21.0
143.08560	33.2
144.09323	5.0
145.10135	47.6
146.97296	3.5
147.08017	5.0
147.11717	17.9
155.08565	14.2
156.09369	14.5
157.10158	44.5
158.10870	4.6
159.11722	35.6
161.09602	9.6
161.13228	10.7
164.98396	7.3
165.06972	3.6
167.08519	6.7
168.09276	4.0
169.10144	26.5
170.10901	9.5
171.11737	22.0
173.09573	4.7
173.13304	19.4
175.14764	9.8
179.08548	4.9
181.10147	9.0
182.10887	3.7
183.11708	15.7
185.13287	16.2
187.11186	8.5
187.14821	15.6
189.12787	5.7
193.10144	9.5
194.10905	3.7
195.11717	11.1
197.13264	13.7
199.14824	10.0
199.57452	3.1
201.12775	4.2
201.16472	4.8
205.10164	4.3
206.10890	4.2
207.11699	7.3
209.13243	11.3
211.11368	3.9
211.14803	11.5
213.16414	7.4
215.14453	4.4
217.15987	4.0
220.12468	4.7
221.13232	10.1
223.14761	7.6
225.16325	6.4
231.13916	4.7
235.14735	7.8
237.16351	4.2
249.16455	4.2
251.17839	3.6
253.15892	9.9
253.19536	3.7
265.19522	4.5
277.21423	4.4
281.22577	7.8
291.21078	13.8
309.22110	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2062
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03938	6.3
55.01886	20.6
55.05515	28.2
55.20511	2.1
57.03435	5.4
57.07085	4.3
59.05006	3.4
65.03966	3.4
67.05514	77.4
69.03433	7.3
69.07072	29.9
71.05000	11.0
71.48864	2.2
79.05499	48.1
81.03418	5.4
81.07064	91.6
83.01348	4.1
83.04981	18.6
83.08631	13.1
85.06561	9.9
91.05489	59.1
93.07050	52.8
95.04977	13.1
95.08616	36.2
95.99570	2.1
96.36821	2.2
97.02929	3.1
97.06544	9.2
97.10187	3.1
98.21516	5.0
98.98529	2.7
99.04463	7.4
105.07043	60.4
107.04980	8.3
107.08604	49.7
109.06538	10.0
109.10166	86.2
111.04445	6.4
111.08098	10.0
113.06031	4.0
117.07024	7.5
119.04952	2.6
119.08598	17.6
121.06525	9.9
121.10173	13.6
123.04445	3.8
123.08083	9.2
123.11747	13.0
125.09686	5.0
127.07572	4.8
129.07024	6.3
131.08569	15.1
133.06508	6.7
133.10146	100.0
135.08075	8.0
135.11703	10.3
137.06050	2.4
137.09630	3.3
137.49963	1.9
139.07574	7.6
143.08583	9.8
145.10124	12.8
147.04474	3.3
147.08044	10.0
147.11726	7.6
149.09634	6.7
151.07596	2.2
151.11200	53.3
155.06999	2.4
157.10158	9.8
159.08107	2.2
159.11673	6.4
161.09650	14.6
161.13319	3.9
163.11185	5.0
165.09145	4.3
165.12665	2.9
169.12305	12.9
171.11736	6.8
175.11226	7.1
175.14752	2.1
177.09184	4.5
177.12776	3.0
179.10747	2.7
179.14250	4.4
181.08632	3.1
185.13239	5.3
187.11234	2.6
189.12679	2.4
191.14049	2.1
195.11824	2.5
203.14337	3.7
207.13730	3.3
211.13028	2.5
213.12883	4.3
213.45641	2.2
215.12848	5.5
217.12282	3.0
227.17975	3.6
231.13818	16.0
238.80545	2.1
245.19044	15.0
249.15054	2.7
255.17435	3.7
263.20123	11.4
273.18530	33.8
291.19550	63.5
299.34674	1.9
309.20468	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2062
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03924	1.5
55.01870	4.3
55.05518	29.5
57.03437	3.2
59.04991	2.1
62.61458	1.4
67.05511	16.8
69.03439	3.2
69.07071	14.0
69.85464	7.2
71.05003	2.2
79.05494	17.8
81.03410	2.7
81.07068	18.9
83.04978	5.2
83.08623	14.1
84.19601	1.3
91.05480	11.6
93.07052	15.2
95.04973	5.9
95.08617	8.6
97.02867	1.5
97.06561	1.8
97.10181	25.2
98.21407	2.3
102.69830	1.3
105.07059	9.8
107.04967	3.0
107.08595	10.6
109.06547	1.9
109.10162	4.3
111.04437	3.5
111.08074	2.2
117.07018	3.1
119.08586	9.5
121.06519	3.6
121.10119	3.8
123.08086	7.4
123.11687	1.5
125.09647	18.3
129.06982	2.4
131.08566	5.4
133.06502	5.0
133.10130	3.4
135.08076	4.0
137.09581	4.0
142.43120	1.5
143.08575	3.1
145.10159	5.2
147.04404	2.0
147.08060	4.7
147.11688	3.5
149.09682	2.3
151.11171	1.4
153.09082	2.2
153.12767	1.7
157.10139	3.2
161.09653	2.7
163.11130	2.8
165.09116	3.6
171.08075	1.4
171.11673	2.5
185.13298	2.9
189.11198	10.8
213.12843	2.4
217.12196	1.5
223.13397	3.3
231.13803	4.9
249.14893	3.5
273.18527	13.7
291.19571	100.0
292.19812	1.6
309.20474	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	309.206
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.96962	2.3
53.03937	7.6
55.01880	13.1
55.05515	55.7
57.03418	3.9
59.04995	4.9
63.63087	2.7
65.03942	4.1
67.05506	54.1
69.03426	9.2
69.07072	32.5
71.04961	3.0
71.57130	2.4
79.05071	3.1
79.05498	44.4
81.03439	14.0
81.07060	100.0
83.04993	16.7
83.08621	29.7
85.02899	6.3
85.06531	3.8
91.05073	2.0
91.05499	23.9
93.07053	32.2
95.04992	20.9
95.08606	41.5
97.02890	2.7
97.06515	10.4
97.10181	35.4
98.97569	4.0
99.08082	7.4
105.07045	22.6
107.04956	4.2
107.08610	30.9
109.06499	9.0
109.10153	20.8
111.04449	17.4
111.08089	10.5
114.45116	2.3
117.07010	9.5
119.04920	3.8
119.08598	24.9
121.06504	7.9
121.10133	16.8
123.08070	40.2
123.11667	3.6
125.05959	2.5
125.09634	32.1
128.06247	4.0
129.07013	4.4
131.08575	13.3
133.10123	10.7
135.08025	7.0
135.11681	9.7
137.09631	13.3
139.11185	4.9
142.07828	4.0
143.08533	7.7
145.10132	13.9
147.04474	10.9
147.08003	7.2
147.11650	11.4
149.09587	6.2
153.09077	6.1
153.12706	6.2
155.08452	3.4
157.10135	9.6
159.11674	5.7
161.09622	4.3
163.11198	23.9
165.09148	12.7
165.12729	3.1
168.41089	2.4
173.09756	4.3
173.13309	3.3
175.11255	4.9
177.16499	2.5
179.10568	5.0
181.12221	5.4
185.13306	8.0
189.11252	27.6
189.12778	4.9
191.10765	4.8
193.12282	13.7
209.11650	2.4
211.13205	5.6
213.12729	7.1
223.13258	5.4
227.12729	2.5
227.17953	2.3
231.13815	18.6
245.18892	3.1
249.66318	2.4
263.20059	2.9
271.09201	2.3
273.18533	23.1
291.19543	80.7
291.22818	3.9
309.17331	4.7
309.20621	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.206
Annotation	Paecilocin C
Peak:m/z	Relative Intensity
51.14083	0.7
53.03928	0.7
55.05511	12.3
57.03468	0.8
57.07065	2.2
57.82189	0.8
59.05004	0.9
65.19185	0.8
67.05164	1.1
67.05506	13.4
67.38139	0.7
69.07063	7.0
70.69911	2.3
71.04999	4.8
71.08630	0.9
79.05493	3.8
79.15852	0.8
81.03429	1.3
81.07063	26.1
83.04985	0.9
83.08624	19.1
85.02895	2.1
85.06536	1.7
87.00845	1.7
91.05482	2.3
93.07027	2.8
95.04982	1.0
95.08614	30.6
97.10176	9.9
101.09634	1.0
105.07026	2.0
107.08597	4.8
109.09455	1.5
109.10162	22.2
111.00838	1.4
111.08084	2.0
115.11234	1.5
119.08568	1.7
121.10133	2.1
123.11717	8.9
127.03892	2.5
133.10109	2.5
137.13243	1.8
139.03929	1.0
147.11736	2.4
149.13239	2.3
155.00049	0.7
179.17946	2.7
189.16379	4.2
197.19023	1.9
207.17455	1.9
225.18555	1.2
231.13924	1.2
243.19588	30.5
267.19543	5.9
291.19424	1.2
309.20609	100.0
310.20911	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1333
Annotation	82975-93-7
Peak:m/z	Relative Intensity
51.02375	1.0
53.03950	18.0
55.01872	3.7
55.05512	5.1
57.03431	2.0
65.03925	2.1
67.05500	7.0
69.03445	5.4
69.07078	5.0
70.96725	2.9
71.04997	1.9
72.61464	1.0
76.79891	1.0
79.05495	25.3
81.03423	19.1
81.07067	12.3
83.04967	2.6
83.08621	3.2
85.02911	4.7
85.06562	1.4
86.21865	1.0
91.05493	14.3
93.07047	7.2
95.04971	11.3
95.08622	7.5
97.02885	2.3
97.06516	2.5
97.10172	3.8
98.20831	1.3
103.05453	1.6
105.03383	2.2
105.07028	8.7
107.04955	26.3
107.08583	3.8
109.06546	2.4
109.10170	5.9
111.04445	1.7
111.08136	1.4
113.02368	2.2
115.05466	2.2
117.07043	9.4
119.04937	3.7
119.08582	4.2
121.06531	2.8
121.10150	3.9
122.09710	1.5
123.04427	4.3
123.08151	1.4
123.11665	3.1
124.20030	1.0
124.49643	1.0
128.06198	1.7
129.07002	5.5
131.03336	1.1
131.04938	3.4
131.08578	11.0
133.06500	4.9
133.10138	1.8
135.04416	2.6
135.11668	1.1
136.07567	1.4
137.05994	1.8
139.07492	1.2
139.11314	1.3
141.05441	1.8
141.06989	3.7
141.29813	1.1
142.07756	2.0
143.08615	5.0
144.05696	1.2
145.06477	8.2
145.10172	2.5
147.04395	6.6
147.08015	2.3
149.05974	1.5
150.09860	1.1
151.07588	1.6
151.11157	1.1
152.06270	1.7
153.05473	1.8
155.08595	2.4
157.06523	2.6
157.10141	6.6
159.08055	17.8
159.11685	1.5
161.05978	4.6
161.09651	3.7
165.05563	7.4
165.06839	1.7
167.08577	5.3
171.08134	1.4
173.09634	1.8
177.09087	1.4
179.07014	1.7
185.05995	1.9
185.09691	6.1
185.13242	2.6
187.07542	9.1
187.11186	10.8
195.08040	1.9
195.40054	1.1
201.09081	1.9
203.10724	3.8
205.08638	10.6
213.05692	1.1
213.09131	17.0
213.12724	2.1
219.10202	17.5
231.10181	25.8
231.13699	8.2
249.11255	3.9
259.09616	12.8
273.18658	1.6
277.10727	100.0
278.11377	1.6
291.19531	2.1
291.23209	2.0
309.24506	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17402	1.4
55.05519	4.1
57.03451	12.5
59.05019	1.5
61.02955	1.6
67.05505	1.7
69.03434	4.4
71.01364	2.8
71.05000	25.5
71.56142	2.5
73.02921	4.3
75.04482	14.6
75.36003	1.3
77.41935	1.3
79.05511	2.5
81.03441	2.8
81.07063	3.1
83.05003	6.9
85.02914	100.0
85.06555	5.6
86.83044	1.6
87.04458	2.6
91.05499	2.3
93.07074	1.7
95.04961	2.9
95.08638	1.8
97.02894	3.8
97.06514	1.9
99.04478	1.7
104.95660	1.2
105.07056	1.5
107.04962	2.1
107.08618	1.7
109.02888	1.5
109.10136	1.7
111.04482	3.6
119.08578	2.9
121.06541	1.9
121.10157	2.5
123.04469	1.9
125.75757	1.4
127.03911	2.8
129.04626	1.8
129.05508	19.9
130.49393	1.2
130.95206	1.4
143.08656	1.6
143.66560	1.2
147.04439	7.9
147.06508	15.6
149.02467	1.8
171.08052	1.3
174.56906	1.3
185.13223	1.4
231.13902	4.7
253.43158	1.5
263.07266	1.4
309.07669	2.0
309.11035	2.0
309.20743	2.9
314.05585	1.2
315.10977	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.05511	1.1
57.03440	1.1
63.84881	0.4
65.03948	0.6
67.04033	0.5
67.05506	0.7
69.03432	6.1
69.45076	3.5
71.04984	0.8
73.02908	0.7
81.03423	18.6
81.07031	1.2
85.02909	5.4
91.05479	9.7
95.08605	1.0
97.02875	1.4
97.10133	2.0
99.04449	1.5
105.07001	0.6
109.02888	6.4
117.08266	0.5
119.04948	24.8
121.10117	0.6
127.03918	2.2
143.10666	0.8
145.10205	0.5
147.04416	100.0
148.04724	0.9
165.05487	4.1
203.27467	0.4
213.50578	0.4
231.13823	0.7
291.08643	16.5
309.09659	1.3
309.16986	0.7
309.24432	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.0
55.05510	10.9
57.03446	12.5
59.04992	3.7
61.02929	4.4
67.05501	7.5
68.79407	2.4
69.03429	18.8
69.07060	6.2
70.03787	2.3
71.04994	28.6
73.02920	8.4
75.04469	11.2
79.05492	4.3
81.03428	5.6
81.07063	9.2
83.04980	11.0
85.02908	100.0
85.06533	15.0
87.04459	4.7
91.05492	13.2
92.49264	2.4
93.07063	7.2
95.04973	6.4
95.08624	7.5
97.02893	11.9
97.06495	4.7
99.04448	7.3
105.03392	5.1
105.07031	8.1
107.04963	6.0
107.08603	7.5
109.02894	3.9
109.06559	3.8
109.10147	7.0
111.04413	5.3
111.08141	3.6
119.04955	11.6
119.08589	11.5
121.10152	8.7
123.08080	3.8
125.06026	3.7
127.03927	8.7
127.07545	2.9
129.05484	20.9
131.08585	4.3
133.06493	3.6
133.10135	5.1
135.08067	3.3
137.09596	4.0
143.08575	6.8
145.10162	4.8
147.04416	50.1
147.06451	14.5
147.11705	4.7
149.09651	3.4
151.07591	5.0
152.07059	11.2
153.07393	8.8
153.09113	2.6
157.10149	7.9
161.06010	3.7
161.09683	3.9
161.13313	3.3
163.11218	4.3
165.09152	2.7
171.11700	4.3
173.13286	4.7
175.11095	3.1
185.13266	6.0
195.11720	2.8
199.46504	2.6
213.12743	4.3
231.13805	23.0
233.15308	3.8
262.03262	3.3
263.07248	2.8
273.18561	5.3
277.08511	3.5
291.19580	9.1
299.25467	3.1
309.03348	3.1
309.07748	10.8
309.11261	7.2
309.14175	3.3
309.17462	3.6
309.20572	5.4
309.50830	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
53.46099	0.3
55.01875	0.9
55.05521	5.7
57.03428	1.8
57.07075	0.5
59.05008	8.8
65.03938	0.8
67.05513	2.3
69.03436	5.3
69.07082	2.9
70.96221	0.7
70.96573	0.4
71.04993	1.0
79.05503	1.6
81.03429	17.2
81.07066	4.2
81.76935	0.4
83.04980	1.0
83.08634	1.4
85.02914	5.8
85.06579	1.0
86.09709	0.4
91.05489	11.8
93.07059	2.0
95.04995	1.1
95.08623	4.2
97.02904	1.4
97.06528	0.9
97.10179	10.5
99.04475	2.3
99.08135	0.6
105.07043	1.7
107.08610	2.6
109.02886	7.0
109.06519	1.1
109.10159	3.0
109.79677	0.4
113.09668	0.5
115.45384	0.4
117.09140	1.4
118.85390	0.4
119.04958	27.7
119.08590	1.7
121.10179	2.2
123.08088	1.3
123.11703	1.0
125.09637	2.7
127.03934	1.8
131.08592	1.0
133.10123	1.4
135.08069	1.1
135.11726	0.7
136.07613	0.5
137.05995	0.5
137.09680	0.7
141.09122	0.5
143.08626	0.9
143.10672	4.7
145.10130	1.1
146.46967	0.5
146.88496	0.4
147.04425	100.0
147.11737	1.5
148.04736	0.9
149.09529	0.7
149.41182	0.4
151.11194	0.5
153.09166	0.5
157.10162	0.8
159.08109	0.4
159.11736	0.7
161.09595	0.5
161.13252	0.5
163.11169	0.7
163.14888	0.4
165.05533	4.0
165.12714	0.6
171.08177	0.5
171.10173	0.4
173.09586	0.4
182.15440	0.5
185.13281	0.8
189.11259	0.9
189.12859	0.6
203.10721	0.5
205.12276	0.5
213.09251	0.4
231.13829	2.6
233.15430	0.9
235.17043	0.6
245.22696	0.4
249.14859	0.7
259.09583	0.4
263.07043	0.7
273.18509	0.9
291.08682	16.6
291.19547	2.0
291.23257	1.9
309.07077	0.5
309.10199	0.7
309.17200	0.6
309.20688	1.7
309.24353	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	309.0486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62629	1.9
55.01894	2.4
55.05528	2.4
56.96568	23.6
57.03450	3.2
59.49114	2.3
60.95850	9.1
61.02920	3.7
61.34631	2.4
68.74606	2.0
69.03430	8.9
69.46524	17.6
69.47861	2.5
71.04992	3.8
73.02917	3.9
73.04758	2.8
74.97430	2.5
81.03428	6.3
84.08140	3.9
85.02917	17.0
89.03906	4.6
91.05447	4.9
97.02888	5.6
98.21487	4.6
98.97595	25.8
99.04472	6.5
101.00883	7.3
102.96864	4.7
103.00633	11.2
103.05465	3.0
105.06979	2.6
109.02903	3.4
109.96395	2.2
110.97569	2.2
115.02473	2.7
116.98639	19.0
119.01913	23.5
119.04944	10.0
120.02028	4.8
120.97928	5.3
121.01682	41.7
123.04434	4.4
126.00780	2.1
127.03924	7.4
128.04204	2.7
128.98610	4.6
131.00247	2.4
131.01939	6.2
131.04913	5.9
132.95819	2.4
133.03496	4.3
134.99687	9.0
135.03252	5.6
135.04411	6.2
137.03044	4.1
139.02730	9.6
139.03807	2.8
143.01888	8.0
143.99706	2.8
145.01654	11.0
146.99619	4.2
147.04414	27.9
147.05563	3.3
148.04820	3.8
149.01218	2.9
149.06021	4.6
158.99673	5.8
161.02972	9.9
163.02730	21.6
163.03926	24.2
164.06970	2.3
164.99155	5.2
165.00468	2.5
168.98022	2.9
170.99646	5.0
171.01428	3.2
173.01170	3.4
173.02980	2.5
177.00830	11.5
177.02269	2.6
177.04353	2.9
178.01045	6.5
179.00726	44.8
179.02176	3.8
185.02968	5.8
186.99158	4.5
189.00774	9.2
189.02431	2.6
190.95378	3.1
191.00717	3.5
191.02307	3.8
193.03755	2.4
194.97868	3.3
195.01633	3.3
201.00793	4.2
203.04048	3.0
207.01779	5.2
207.05168	2.9
213.02705	2.5
217.00134	10.7
219.01901	7.7
221.01656	16.6
227.00592	3.6
229.04506	3.2
231.01801	4.4
231.13867	5.3
237.01131	16.2
245.01807	10.4
248.98938	3.7
249.02791	15.5
251.04352	4.4
255.02039	4.0
255.07561	3.1
260.02863	2.9
262.03168	5.7
263.02890	100.0
264.00510	2.5
267.00116	5.5
267.04013	4.5
269.05435	6.3
273.03116	4.1
277.04785	2.8
286.04663	5.1
291.00119	3.0
291.04004	6.6
295.03271	2.9
303.97327	2.5
308.56882	4.5
309.05362	2.8
326.97131	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	308.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
55.05508	0.8
62.50248	0.4
67.05495	1.2
69.03430	3.9
69.07055	1.4
71.56716	0.6
74.02441	2.4
76.02221	0.6
79.05499	5.3
81.07066	1.1
83.04972	0.4
85.02923	0.5
86.09707	47.0
88.04002	4.6
91.04893	0.4
91.05479	7.9
93.03413	0.6
93.07041	7.0
95.04948	0.8
95.08616	0.6
98.09687	0.4
99.19704	0.4
100.11281	0.6
103.05441	0.5
105.07032	8.0
107.08592	13.0
109.06505	1.4
109.10148	1.8
116.06220	1.5
117.06986	0.7
119.04943	0.4
119.08573	3.8
121.06512	1.5
121.09312	0.8
121.10147	13.2
123.08056	0.9
123.11727	0.9
129.06993	1.2
130.08661	0.8
131.08563	15.4
132.10204	21.9
133.10120	3.1
135.04424	2.9
135.08055	20.1
144.05627	0.4
144.10182	1.4
145.08829	0.5
145.10190	0.4
147.04407	0.9
149.09621	100.0
150.09953	0.8
151.11177	3.6
158.09683	0.7
159.08060	7.6
160.11235	2.6
174.43787	0.3
177.09105	14.7
177.10654	0.8
188.10687	1.7
216.17494	2.5
234.18613	0.6
244.16971	8.1
262.18024	13.9
280.19022	1.3
290.14243	0.6
290.17462	4.1
308.15421	0.9
308.18567	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99576	0.6
61.34184	0.5
62.32528	0.5
67.05500	1.1
69.03441	2.9
71.16731	1.1
76.02255	2.5
80.53935	0.4
81.03420	0.6
84.04511	1.5
87.00863	0.8
90.02115	0.5
91.05483	0.7
95.04981	1.4
96.08134	1.1
97.02895	0.7
116.01629	0.7
119.04912	0.7
120.08116	6.9
124.07607	6.3
130.06538	73.1
131.06863	1.0
132.04462	19.1
139.03883	1.0
140.04242	0.8
146.06018	8.5
146.07085	0.8
147.04434	3.7
148.07584	23.4
152.07072	2.0
158.06023	28.3
160.61549	0.5
162.02211	0.9
170.08180	4.3
176.07086	100.0
177.07419	1.2
178.26569	0.5
179.04910	1.1
202.08493	0.6
204.06595	11.9
222.07634	23.9
262.10800	1.2
272.05527	0.9
290.06552	0.7
308.06717	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.05515	0.6
56.01411	0.9
56.05040	2.0
57.03440	0.3
58.02967	1.0
65.03934	0.7
67.05507	6.2
68.05009	0.3
69.03432	39.4
69.07079	0.6
70.03761	0.3
70.06592	1.7
71.00921	0.5
73.02909	0.7
76.02226	0.2
78.87350	0.2
79.05492	1.9
81.03412	1.8
81.05806	0.8
81.07057	1.0
85.02911	0.4
87.54482	0.2
94.06580	0.3
95.01357	0.3
95.04974	3.4
96.08134	0.9
97.02900	0.8
97.18349	0.2
107.08592	0.2
109.02890	2.4
124.07585	0.8
137.06024	0.2
138.06282	0.2
140.07054	0.7
142.34221	0.2
152.07074	100.0
153.07407	0.9
176.07074	0.2
180.06519	0.2
198.07573	0.6
230.08235	0.3
236.09183	0.6
248.09192	2.0
308.11130	0.9
308.14865	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76812	0.5
63.66397	0.4
69.03437	0.5
70.89757	0.6
70.90113	1.2
75.25633	0.5
79.51231	0.5
86.16931	0.4
86.63752	0.5
87.00820	1.0
88.21892	0.5
120.08111	8.9
124.07581	0.9
130.06535	80.1
131.06862	0.6
132.04457	16.2
139.03836	0.6
148.06377	1.0
148.07579	25.3
158.06021	31.5
176.07079	100.0
177.07393	1.4
179.04860	0.6
204.06569	12.3
216.10226	0.6
222.07625	26.5
238.98358	0.6
262.10699	1.2
272.05551	1.1
308.39096	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2269
Annotation	Litseakolide B
Peak:m/z	Relative Intensity
53.03937	4.8
55.05516	24.9
57.03440	30.6
65.03929	4.8
67.05509	100.0
69.07076	17.0
71.04974	3.7
74.01476	2.8
79.05499	62.5
79.16879	2.7
81.06581	3.9
81.07063	79.4
83.04971	2.6
83.08620	10.6
89.80345	2.9
91.05483	28.5
93.07057	70.7
95.04947	4.8
95.08614	62.2
97.06533	3.5
97.10189	5.0
98.77164	3.2
99.08093	5.0
105.07043	21.2
107.08596	23.3
109.06475	3.5
109.10162	28.6
117.07018	7.9
119.08606	11.1
121.10168	30.2
123.11703	8.9
126.94373	2.7
131.08554	13.3
133.10150	13.9
135.11713	17.1
137.09647	3.9
145.10106	8.5
147.11743	5.1
149.13283	5.4
159.11678	10.0
173.13316	7.5
215.17972	7.9
229.12769	2.7
233.19162	5.7
307.15433	9.4
307.22702	97.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2269
Annotation	Litseakolide B
Peak:m/z	Relative Intensity
51.02372	1.5
53.03943	8.3
53.94684	1.3
55.01873	3.3
55.05265	1.8
55.05518	30.8
57.03186	1.9
57.03442	27.5
57.07074	2.6
65.03934	3.5
67.05510	99.4
69.07074	18.1
69.98972	2.9
69.99383	3.9
71.04995	3.2
71.08654	1.6
77.49915	1.3
79.05499	69.1
81.03418	2.5
81.07062	83.0
83.04974	4.0
83.08624	11.7
85.06545	3.5
91.05486	33.7
93.07052	66.3
95.04962	8.2
95.08614	55.9
97.06544	6.1
97.10168	3.6
99.08096	2.3
103.05502	1.6
105.07041	18.7
107.08605	20.3
109.06532	3.9
109.10167	26.2
111.08112	2.5
112.58738	1.4
117.07009	7.8
119.08563	10.3
121.10146	29.5
123.08078	3.9
123.11717	6.7
125.09635	1.5
127.53888	1.4
129.07050	1.5
131.08586	9.5
133.10132	10.1
135.08070	2.7
135.11687	16.4
137.06017	1.8
137.09645	1.7
137.13313	1.7
145.10114	9.0
147.11711	5.6
149.09599	2.5
149.13246	6.3
159.11737	8.4
161.13223	1.8
163.11224	2.3
165.12694	1.5
173.13263	5.8
175.95036	1.3
209.15503	1.4
215.17917	6.9
233.19019	3.6
234.48030	1.6
263.30399	1.5
275.20038	1.7
307.15414	4.0
307.22714	100.0
308.23074	2.0
310.22263	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2269
Annotation	Litseakolide B
Peak:m/z	Relative Intensity
50.27736	1.2
52.99867	1.2
53.03943	4.5
53.52584	1.3
53.64917	1.1
55.01872	1.8
55.05517	20.9
57.01777	1.1
57.03193	1.5
57.03446	21.4
57.07064	3.4
57.93428	1.1
65.03942	2.8
67.05512	68.4
68.27554	1.0
69.07070	13.8
71.04990	1.5
71.08658	1.1
79.05502	50.4
80.27421	1.0
81.03411	1.7
81.07066	63.7
83.04980	4.1
83.08634	8.7
85.06550	2.0
91.05483	26.1
93.06467	2.6
93.07055	49.7
95.04988	8.6
95.08618	44.6
95.09236	1.9
97.06551	2.8
97.10185	1.5
98.21538	1.7
99.08130	2.3
105.04510	1.1
105.07041	15.7
107.04959	2.5
107.08591	16.4
109.06517	5.9
109.10165	20.9
111.08085	2.4
117.07050	5.9
119.08590	10.3
121.02870	2.4
121.06514	3.1
121.10149	21.1
123.08087	3.3
123.11681	6.9
125.09663	1.4
129.06993	1.5
131.08601	10.2
133.10115	11.1
135.08075	2.8
135.11708	14.4
135.33780	1.1
137.05991	2.4
137.09654	2.3
137.13255	1.5
138.06351	2.8
145.10132	9.1
147.11679	5.5
149.09660	2.4
149.13336	7.5
151.11188	3.9
155.08574	2.1
159.11746	8.8
161.13277	1.7
163.11179	2.9
165.12810	1.5
173.13304	3.8
177.12798	1.7
183.11754	2.6
191.17929	1.6
215.17973	9.6
233.19028	2.2
237.91190	1.1
275.20053	4.1
307.15472	6.7
307.22702	100.0
308.22983	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	307.2268
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03950	5.2
55.01878	10.4
55.05516	33.3
57.03443	12.2
59.05005	3.8
62.18761	1.8
65.03918	2.7
67.05513	79.3
69.03426	4.9
69.07072	37.7
71.04992	5.7
71.17855	4.5
71.95721	2.1
79.05499	52.5
80.77932	2.2
81.03413	10.8
81.07063	100.0
83.04983	8.8
83.08625	12.4
85.06560	5.6
91.05488	51.0
93.07052	61.8
95.04978	37.9
95.08613	52.2
97.06529	13.6
97.10160	5.0
99.08131	3.4
105.07034	50.1
107.04961	5.1
107.07946	3.5
107.08605	34.6
109.06532	24.1
109.10165	31.8
111.08095	6.6
115.05475	2.3
117.07004	16.8
119.08600	43.4
121.06527	6.8
121.10146	28.1
123.08083	22.5
123.11731	8.7
125.09638	2.9
128.06238	2.5
129.07042	5.5
131.08583	26.6
133.10141	31.2
135.08058	8.9
135.11671	12.4
137.05948	2.8
137.09621	12.9
138.06339	2.7
139.11168	4.3
143.08589	3.6
145.10141	16.2
147.11691	22.0
149.09641	11.5
149.13289	5.0
151.11172	8.5
155.08600	2.2
157.10167	6.0
159.11682	17.8
161.13271	6.1
163.11224	8.8
163.14972	2.2
165.12807	5.0
169.10153	5.4
171.11674	6.0
173.09563	2.8
173.13295	15.6
175.11261	3.9
175.14804	3.7
175.55440	2.2
177.12816	5.8
183.11703	6.3
185.13316	3.2
187.11220	2.5
187.14810	3.0
197.13268	4.4
201.12701	3.4
213.16351	2.1
215.14365	3.2
215.17758	2.4
219.13857	2.3
219.17531	9.6
229.19542	6.2
231.17368	3.0
233.19046	2.8
239.17906	4.1
247.20578	8.7
251.16608	3.3
257.19061	14.4
275.20071	94.3
289.21829	16.8
307.15445	3.0
307.19913	2.1
307.22726	56.0
307.28278	10.7
312.39462	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2269
Annotation	Wyethic acid
Peak:m/z	Relative Intensity
51.34079	0.7
52.30443	0.8
53.03950	5.3
55.01884	6.5
55.05519	12.6
57.03425	3.1
57.07076	1.5
59.04995	1.0
65.03937	1.7
67.05509	29.4
69.03429	1.6
69.07072	14.4
69.39712	6.5
69.40138	1.7
71.04988	2.5
72.79876	0.8
79.05500	36.5
79.05962	2.1
81.03427	4.9
81.07063	100.0
82.07375	0.8
82.41593	0.8
83.05008	4.5
83.08622	8.3
84.97263	1.0
85.06519	2.4
90.43900	0.8
91.05489	20.4
92.81990	1.0
93.07052	19.4
95.04976	10.8
95.08617	16.5
97.06544	6.3
99.08113	1.9
103.05474	0.9
105.07038	20.6
107.04964	6.3
107.08611	14.4
109.06528	47.4
109.10146	7.3
111.08089	2.8
117.07021	5.2
119.08600	16.2
121.02867	1.1
121.06477	3.1
121.10163	10.1
123.08080	7.9
123.11685	3.2
125.09637	1.5
129.07008	2.9
131.08595	9.0
133.06488	1.7
133.10136	11.6
135.08075	4.0
135.11736	5.7
137.06036	1.8
137.09589	4.1
137.13211	1.1
138.06328	1.7
139.03894	1.8
141.06967	1.1
142.07819	0.9
143.08546	2.2
145.06476	1.3
145.10112	8.6
147.08130	1.3
147.11694	13.7
149.09634	5.5
149.13274	5.7
151.11169	4.1
155.08519	1.8
157.10149	2.9
159.11720	6.1
161.09654	1.9
161.13243	2.8
163.11206	6.6
163.14825	3.3
164.50577	0.8
165.09174	0.9
165.12750	6.1
169.10088	1.4
171.11694	1.8
173.09685	1.6
173.13278	3.7
175.11186	3.6
175.14803	1.1
177.12770	2.4
183.11717	2.6
187.14847	1.7
191.14317	1.8
193.12299	3.2
197.13316	1.4
201.12709	1.0
205.16006	1.0
211.15047	1.1
215.18042	1.1
219.13795	1.6
219.17430	1.1
229.19550	3.4
239.18039	1.6
247.20505	5.0
257.19003	7.0
275.20065	46.7
289.21643	1.6
307.09650	1.4
307.15356	2.3
307.22754	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	307.1905
Annotation	Corrin
Peak:m/z	Relative Intensity
53.04007	1.0
53.21071	0.5
54.76917	0.5
55.01952	3.6
55.05590	20.2
57.03500	1.1
57.06856	1.1
57.07154	8.7
58.70414	0.4
67.01565	0.7
67.01953	3.8
67.05206	1.3
67.05592	12.4
68.99465	2.1
68.99881	20.9
69.03191	0.6
69.03522	2.1
69.07159	30.0
69.92532	1.1
69.92943	1.7
71.01439	0.5
71.05087	1.4
71.08720	2.5
73.90532	0.5
79.05095	0.8
79.05592	10.2
81.03524	1.6
81.06647	1.3
81.07157	16.2
81.71989	0.5
83.04998	6.2
83.08181	0.8
83.08720	13.5
85.02974	0.8
85.06632	1.2
85.10268	1.0
87.00899	1.0
91.05594	3.9
91.36899	0.4
93.03452	0.7
93.06532	0.8
93.07055	14.4
95.04980	2.9
95.08615	16.3
97.02905	2.5
97.05969	0.5
97.06538	9.1
97.10175	9.9
99.04537	1.0
101.09742	0.8
105.07027	3.6
107.05068	1.7
107.08607	10.3
109.06623	2.1
109.10175	8.7
111.00079	2.1
111.00815	52.4
111.04449	11.7
111.08086	4.9
111.11730	2.5
113.02444	1.2
114.87588	0.4
117.07030	2.3
119.08584	3.8
121.02997	0.5
121.06552	2.4
121.10154	13.0
123.04540	0.8
123.08190	1.9
123.11823	2.1
125.06007	4.8
125.09645	3.4
126.03230	2.2
127.03931	15.4
128.06319	0.8
131.08588	3.1
131.51225	0.4
133.10156	4.1
135.08089	3.2
135.11703	8.6
137.09642	2.2
139.03914	30.9
139.07643	2.1
139.11186	2.4
141.07034	0.5
142.07906	1.0
143.08676	1.5
145.10147	3.8
147.08165	1.4
147.11790	1.3
149.06120	1.4
149.09612	3.4
149.13251	2.9
151.07600	0.9
151.11310	0.7
153.05606	2.1
153.09108	3.2
153.12770	2.8
154.07851	0.6
155.08710	0.9
156.09457	0.5
157.08664	0.8
159.11668	2.7
161.13391	1.4
163.07642	1.4
163.11176	2.6
163.14886	0.6
165.09178	0.8
167.07088	2.8
167.08513	0.5
167.10660	3.1
169.10196	0.9
171.10310	2.1
171.11647	0.6
173.13387	0.7
175.14934	1.0
177.09299	0.5
177.12827	1.5
177.16316	2.4
181.08658	5.5
181.10052	0.7
181.12267	2.7
182.11078	0.6
183.11732	0.7
185.11847	1.9
187.14957	1.4
191.17990	2.4
195.10188	7.4
195.11795	0.8
195.13931	1.6
195.17514	0.9
197.13457	1.0
199.13354	1.2
201.12877	0.5
201.16441	2.5
205.12280	0.6
209.11725	10.4
209.18950	0.5
213.14822	1.2
219.17474	3.1
221.13307	1.1
223.13292	10.2
229.15939	0.5
233.13379	0.6
233.19026	1.4
235.14839	0.8
237.14867	3.9
237.18498	10.1
255.19676	1.7
259.14722	0.5
261.18585	0.9
263.17935	0.9
264.78876	0.5
265.17969	6.4
271.16937	0.5
279.19574	78.0
280.19852	1.1
289.18024	1.5
307.19022	100.0
308.19287	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31610	0.4
52.04148	0.4
53.03940	1.1
55.01875	5.2
55.05516	27.5
57.03436	1.3
57.06818	0.7
57.07078	9.1
65.03948	0.9
67.01871	3.9
67.05508	15.0
68.99796	25.2
69.03437	2.5
69.07072	34.7
69.66042	2.7
70.06128	0.4
71.01350	0.5
71.04991	1.6
71.08632	2.6
79.05122	0.3
79.05497	11.8
81.03433	1.6
81.07063	19.3
83.04996	6.9
83.08624	16.8
85.02906	0.9
85.06543	0.9
85.10167	0.9
87.00848	1.0
91.05479	4.4
93.03419	0.5
93.06464	0.9
93.07050	16.3
95.04973	2.0
95.08615	17.5
97.02891	3.5
97.06539	10.2
97.10173	12.7
99.04468	0.8
99.08089	0.6
105.07041	3.8
107.04967	1.8
107.08606	12.2
109.06532	3.0
109.10162	7.9
111.00813	57.0
111.04452	12.4
111.08089	4.3
111.11734	2.2
113.02338	1.0
115.03958	0.4
116.71821	0.4
117.07008	2.1
119.08591	3.1
121.02887	0.6
121.06516	2.6
121.09421	0.3
121.10147	13.9
123.04450	1.1
123.08060	2.4
123.11707	1.5
125.06009	5.1
125.09645	3.9
126.03130	2.9
127.03930	15.9
129.06979	0.4
131.08563	3.1
133.10144	2.2
135.08081	3.1
135.11711	8.6
137.05911	0.5
137.09650	2.1
138.65050	0.4
139.03912	31.6
139.07501	3.4
139.11201	2.8
143.08527	0.4
145.10121	3.2
147.11717	1.4
149.06017	1.6
149.09628	2.8
149.13271	2.6
151.07541	1.1
151.11171	0.7
151.14828	0.6
153.05505	1.9
153.09164	3.1
153.12752	2.2
157.08603	1.1
159.11726	2.6
161.13260	1.1
163.07510	1.2
163.11185	1.8
163.14897	0.9
165.09167	0.7
167.07071	3.6
167.10672	3.6
167.14398	0.6
171.10165	1.8
173.13272	0.7
175.14806	0.6
177.09171	0.6
177.12799	2.0
177.16351	3.3
179.10751	0.6
181.08611	5.6
181.12227	2.4
185.11754	1.6
187.14821	2.4
191.10681	0.8
191.14343	0.6
191.17975	2.4
192.22038	0.4
195.10179	7.4
195.11876	0.7
195.13878	1.6
195.17511	0.8
199.13268	1.3
201.16460	2.8
205.12250	0.7
205.16034	0.5
207.10168	0.5
209.11748	10.2
209.18990	1.0
213.14891	0.9
219.17474	3.7
223.13319	11.4
223.17046	1.3
229.15883	0.4
233.18994	1.1
237.14923	4.4
237.18515	10.6
241.86618	0.6
255.19501	2.6
261.18558	1.3
265.18008	6.8
271.16782	0.5
279.19565	79.9
280.19901	1.4
289.17960	3.0
307.19046	100.0
308.19446	1.2
316.47000	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.8
55.01879	12.0
55.05305	2.0
55.05517	21.8
56.05033	2.2
57.03184	2.6
57.03442	33.6
57.07066	5.9
57.14729	1.8
58.06599	2.6
59.30059	1.7
65.03936	5.5
67.05509	67.8
69.03428	4.0
69.06786	1.5
69.07082	19.5
70.77431	2.7
70.77778	1.9
71.04986	4.4
73.02927	3.9
74.06080	2.6
76.29362	1.8
79.05500	91.2
81.03419	10.0
81.07063	65.9
83.04987	32.3
83.08617	6.0
85.06556	9.6
88.07635	16.5
89.07954	5.9
91.05488	100.0
93.06465	3.6
93.07051	72.5
95.04973	16.5
95.08607	34.5
97.02906	3.3
97.06537	28.6
97.10160	2.1
99.04416	2.1
103.03964	4.0
103.05463	3.2
105.07035	52.2
107.04962	10.3
107.08595	21.4
109.06520	9.8
109.10162	12.1
111.00797	3.4
111.08084	4.7
115.05471	6.0
116.06279	5.4
117.07024	28.4
119.08596	37.0
121.06491	6.3
121.10159	26.5
123.08051	4.4
123.11715	6.6
125.09650	1.8
127.03909	18.1
128.06224	5.2
129.05493	10.0
129.07004	21.8
130.07780	1.9
131.08577	99.3
132.10158	2.0
133.06496	6.6
133.10135	19.9
135.08064	10.2
135.11684	13.6
137.09607	6.2
137.13257	2.6
139.03902	6.9
141.06993	7.3
143.08562	7.2
145.10143	29.4
147.08057	7.1
147.11726	6.8
149.09627	23.2
149.13266	4.0
151.07571	2.3
151.11208	3.4
155.08557	13.4
156.09363	3.3
157.10130	2.1
159.11732	14.6
161.09546	2.0
161.13310	4.4
163.11195	3.8
163.14862	2.1
168.09334	3.1
169.10115	10.1
171.11708	16.7
173.09734	1.9
173.13301	9.7
176.55582	1.9
177.12669	3.0
182.10938	2.6
183.11745	2.1
185.13290	3.1
187.11282	3.7
187.14835	11.3
189.12711	3.1
197.13295	19.9
214.21666	3.8
215.14359	11.0
215.22015	17.7
219.06363	2.1
229.12296	2.8
233.15381	3.1
259.24652	5.3
265.14526	2.9
271.23984	2.0
289.18030	3.3
289.25476	2.5
307.15503	10.4
307.19101	33.3
307.22757	3.3
307.26733	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	307.1904
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03943	8.0
55.01863	5.9
55.05518	19.4
57.03423	2.4
57.07061	7.3
65.03929	3.7
66.25165	2.9
67.05510	37.5
67.21133	2.5
68.73090	2.5
69.03434	20.8
69.07079	14.1
70.04068	9.9
71.04992	8.1
71.56330	3.4
79.05502	54.2
79.94626	2.3
81.03408	9.1
81.07059	34.1
83.04985	24.4
83.08636	4.0
85.06547	23.0
91.05483	34.2
93.07053	30.5
95.05003	12.1
95.08618	31.4
97.02874	2.5
97.06538	14.2
98.98508	3.2
103.05484	2.6
105.07044	48.0
107.04967	17.1
107.08603	29.8
109.02884	6.3
109.06561	13.4
109.10175	28.8
110.06043	2.5
111.04464	2.8
111.08086	6.4
115.05452	5.3
116.06165	2.6
117.07040	23.7
119.04976	3.1
119.08593	23.1
121.06510	24.3
121.10146	20.8
122.07325	3.2
123.04457	4.3
123.08072	56.2
123.11745	6.6
124.07565	3.2
125.09637	4.2
127.01266	6.0
127.03866	2.5
128.06245	4.2
129.07007	11.7
131.08585	34.4
132.10268	3.0
133.06505	28.3
133.10138	17.0
135.04440	4.6
135.08040	13.0
135.11676	10.0
137.06001	4.6
137.09633	31.0
138.10429	16.1
139.03893	11.5
139.07620	3.1
139.11160	2.9
141.06958	7.2
143.08586	10.0
144.09367	4.7
145.06506	19.6
145.10185	14.4
147.08046	7.8
147.11674	7.9
149.02296	5.3
149.07149	2.7
149.09607	11.7
151.07545	8.7
153.09071	3.8
154.07948	2.8
155.08571	4.5
156.09348	4.5
157.10112	12.1
158.07317	6.2
159.08096	18.2
159.11705	37.3
160.07608	5.4
160.08923	2.8
161.05986	6.9
161.09645	18.0
161.13301	3.9
163.03915	11.0
163.07567	7.1
163.11185	11.2
169.10136	10.3
171.11713	6.6
172.08888	6.1
173.06024	13.7
173.09636	7.1
173.13271	5.3
174.09180	7.9
175.07552	3.3
175.11194	9.6
176.12016	4.7
177.06648	4.8
177.10286	3.7
178.08722	5.4
179.10651	6.0
183.11797	7.2
187.07542	5.8
187.11201	58.7
187.12833	5.3
187.14847	4.7
189.12724	4.1
197.09612	5.1
197.13168	3.3
199.14900	4.4
201.12794	6.3
201.16406	7.3
202.08675	5.8
205.09908	5.3
205.12262	12.1
206.08139	5.3
211.11198	2.7
215.10654	23.6
215.18016	3.7
219.11372	6.9
220.09717	4.3
225.16408	7.6
229.12192	5.8
229.15901	4.6
233.11737	6.0
243.17455	26.7
247.10869	5.6
247.13077	4.5
248.09261	9.3
253.15939	8.3
259.14325	2.6
261.18405	3.8
265.11566	4.2
271.16980	45.5
289.10962	3.6
289.15149	4.1
289.18008	100.0
289.21118	3.4
307.12790	50.6
307.15656	7.8
307.19070	10.4
307.22672	5.1
307.26773	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	307.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28985	3.6
53.03933	9.8
55.01882	9.3
55.05524	19.8
57.03447	4.1
57.07062	5.6
59.04995	4.8
65.03959	7.0
67.05518	41.4
69.03436	25.2
69.07072	22.5
70.04074	14.8
71.04978	6.6
71.27182	5.8
79.05503	62.8
81.03410	9.7
81.07064	36.0
83.04987	31.4
83.08607	8.5
85.06561	33.1
91.05484	36.9
93.07059	40.3
95.04980	15.6
95.08617	44.0
97.06520	18.8
97.10163	3.8
103.05492	3.6
105.07032	51.0
107.04987	18.6
107.08597	45.9
109.02900	8.8
109.06512	17.5
109.10157	32.8
111.08105	5.9
115.05450	6.1
117.07029	23.5
118.85510	3.8
119.04954	5.7
119.08593	26.5
121.06512	25.6
121.10149	31.6
122.07259	6.0
123.04460	5.4
123.08073	46.0
123.11674	9.9
124.07589	3.8
125.09607	5.7
126.87871	3.2
127.01308	6.7
127.03963	4.9
129.06995	14.3
131.04926	5.3
131.08568	39.5
133.06497	25.4
133.10146	20.1
135.04482	7.3
135.08052	14.6
135.11705	7.9
137.06006	8.3
137.09619	41.8
138.10397	16.2
139.03900	16.1
141.06992	5.8
141.09151	6.7
142.07797	8.0
143.08556	11.8
144.09370	5.9
145.06493	17.2
145.10173	21.1
147.08054	11.5
147.11725	10.1
149.02399	4.9
149.09605	15.6
149.13300	4.5
151.03995	4.7
151.07559	9.4
151.11162	4.6
153.09116	7.3
154.80894	3.9
155.08566	8.8
156.09366	5.7
157.10138	10.4
159.08046	17.0
159.11716	52.6
161.05994	4.4
161.09619	21.7
163.03937	13.0
163.07582	8.1
163.11249	19.7
169.10136	11.4
171.11752	9.0
172.08894	7.3
173.06000	17.2
173.09633	11.7
173.13286	13.8
174.09204	6.6
175.11194	8.4
177.06590	4.6
177.12756	6.3
178.08652	4.9
179.10770	4.3
183.11670	10.3
185.13217	3.9
187.07556	6.1
187.11197	63.9
187.14767	4.0
189.12799	7.6
194.44363	3.4
197.09622	5.2
201.12753	11.6
201.16476	6.9
201.81218	3.5
202.08614	4.8
202.12350	5.2
203.14223	6.8
205.09763	13.6
205.12291	16.1
206.08257	5.1
215.10721	27.1
219.11464	6.4
219.13884	4.7
220.07008	3.7
225.16505	7.3
229.12289	5.3
229.15996	4.8
233.11754	8.0
243.17528	33.3
246.51184	3.9
247.13239	8.7
248.09148	8.2
253.15927	7.5
258.02399	4.2
261.18451	5.4
268.23352	4.4
268.62631	3.6
271.16980	37.0
272.70840	3.4
289.10605	12.3
289.14978	6.8
289.17999	100.0
289.21298	8.8
292.07230	5.8
307.05536	3.8
307.09601	6.0
307.12680	46.9
307.15573	12.2
307.19016	14.4
307.22748	14.8
307.26776	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	307.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05041	2.6
56.28409	0.4
58.06603	5.0
58.79639	0.4
65.03947	1.1
68.99789	0.6
69.03453	0.6
69.07069	0.6
70.02934	0.6
70.06635	0.5
70.95791	1.2
75.02722	0.6
83.04990	0.7
84.04511	25.0
84.08147	100.0
85.08495	0.6
86.06063	7.7
86.09710	7.9
88.03989	4.4
91.05518	0.9
95.04955	0.8
97.02908	0.6
98.06075	0.6
98.09715	1.2
99.09216	0.8
106.15017	0.5
107.04969	1.0
108.04484	1.0
111.04449	0.8
113.07184	0.5
119.04951	2.2
121.02914	0.8
122.06057	1.1
122.73272	0.5
123.04445	0.6
127.03949	0.7
130.06558	2.3
130.08678	1.5
131.04916	0.9
133.02919	0.7
135.04443	1.2
139.03912	46.7
140.07066	1.7
141.13870	8.1
144.10245	1.5
146.06009	5.4
147.04411	5.8
148.07607	0.9
151.03923	1.7
158.06009	1.3
159.04433	1.1
163.03918	4.1
168.06561	1.0
169.05035	0.7
169.13368	11.4
174.05429	0.5
176.07138	2.4
177.05479	1.3
181.05008	2.2
187.07823	0.8
188.05455	0.6
195.06512	1.0
198.11360	1.3
200.09555	0.6
205.06577	0.9
215.13924	45.0
218.91789	0.5
222.07599	0.8
243.11433	2.0
243.17064	49.7
244.17455	0.6
247.10664	0.6
261.05627	0.5
261.12424	1.0
261.16339	0.6
262.11111	3.6
279.06577	0.7
289.11835	3.8
307.05890	1.2
307.12885	2.4
307.16879	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	307.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.2
55.05509	0.9
67.05486	1.5
70.48865	0.6
71.45743	0.9
79.05493	1.3
81.07044	2.8
83.08606	0.8
91.05496	1.6
93.07049	2.9
94.06570	0.9
95.04974	1.4
95.08604	1.8
95.87036	0.7
96.08121	2.0
99.04483	1.1
105.07052	1.3
107.08583	2.1
108.08126	1.5
109.06508	1.4
113.09676	0.6
119.08583	0.9
121.06471	0.7
121.10142	1.4
122.06046	2.3
123.06808	2.0
124.07607	10.8
126.09163	5.1
129.06989	0.7
131.08524	0.7
133.06462	0.7
135.08032	0.8
136.07590	57.2
138.09152	57.1
140.07059	4.7
146.05881	0.8
149.09615	0.8
150.05556	1.1
152.07083	19.0
152.08292	1.5
164.07083	100.0
165.07401	0.8
170.08134	5.7
182.06601	1.5
182.08160	22.7
189.09146	0.8
289.12006	1.1
289.15500	3.5
307.13052	1.2
307.16367	4.7
307.19595	1.9
307.22824	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.7
55.05505	0.9
67.05509	0.9
72.72781	0.5
77.03917	0.6
79.05511	1.0
81.07055	1.7
85.88551	0.5
88.02637	0.5
91.05488	2.5
93.07040	2.0
94.06608	0.5
95.04975	0.7
95.08588	1.0
96.08137	0.7
98.21577	1.1
105.07016	0.7
107.08601	0.4
108.08130	1.1
109.06564	0.9
109.10144	0.6
110.09669	0.5
115.55495	0.5
119.08642	0.9
122.06036	2.2
123.06792	2.1
124.07589	7.8
126.05548	0.9
126.09164	5.1
136.07584	60.4
137.07959	0.5
138.09145	50.4
140.07079	2.7
150.05528	0.7
152.07079	16.8
159.11774	0.4
162.27370	0.4
164.07072	100.0
165.07423	0.6
168.06544	0.5
170.08167	3.5
182.08141	19.6
182.09772	0.9
229.39459	0.6
276.68851	0.4
289.15485	4.0
292.07556	0.5
307.05875	0.6
307.12845	1.0
307.16168	1.8
307.19598	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.129
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
52.33537	0.6
55.01863	1.6
55.05506	0.9
56.21844	0.6
60.50042	0.6
61.33744	0.6
67.05499	1.6
69.03429	2.7
69.07076	0.8
71.04987	0.7
71.15047	1.3
79.05525	0.8
81.07037	0.9
83.04993	1.1
85.06512	0.6
91.05476	1.7
93.07050	1.3
94.06575	0.7
95.04970	1.2
95.08607	1.0
96.04514	0.7
97.06506	1.5
98.06062	0.7
99.04462	0.9
105.06999	1.0
107.04969	0.8
107.08602	2.3
108.04488	1.1
109.06508	1.0
111.08089	0.7
117.07043	0.6
119.08616	1.1
120.08055	0.6
122.06032	2.9
123.04421	0.9
129.06985	0.7
131.08536	1.5
133.10110	1.4
135.08066	2.9
136.07497	0.8
137.05893	0.7
139.03914	7.5
139.07553	0.8
140.07036	2.1
143.08563	0.9
145.10110	1.2
146.06007	0.9
147.08069	0.8
147.11726	0.8
150.05585	0.8
150.09076	0.8
151.05809	0.7
151.07410	0.6
152.07068	2.5
156.08113	0.8
157.10110	1.3
159.08049	1.0
159.09215	1.5
159.11644	0.8
160.07597	1.8
163.03900	1.0
163.08685	1.2
168.06541	2.4
170.09682	1.2
172.07523	0.7
173.07076	0.8
173.09573	0.8
173.13232	0.9
174.09161	1.5
177.10260	1.4
178.08646	13.6
183.11720	1.1
184.07602	1.9
187.08762	1.0
188.07141	3.5
191.03502	0.9
191.08240	1.2
196.09721	0.7
198.09172	1.2
201.10228	2.9
202.08647	5.3
205.09708	3.7
206.08139	2.6
212.07069	1.6
216.10220	2.8
219.07790	0.7
219.11310	4.9
220.09709	2.0
226.08618	1.4
229.09805	4.9
229.11827	1.0
230.08110	3.6
243.11287	1.9
244.09695	4.2
247.10849	9.8
248.09250	1.5
254.08228	1.1
261.12390	1.4
262.10736	2.0
265.11856	12.6
271.10712	1.9
271.16913	1.1
272.09146	2.2
289.03470	1.6
289.11832	14.7
289.18042	1.5
290.10211	1.5
307.12881	100.0
308.13245	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0814
Annotation	(-)-Gallocatechin
Peak:m/z	Relative Intensity
50.93089	0.3
53.00305	0.7
55.01878	0.5
57.01903	0.2
60.56680	0.3
64.91332	0.3
65.03929	1.2
67.05520	0.7
68.99789	1.2
69.92530	1.0
69.92938	0.6
70.02924	0.6
79.05496	0.3
83.04982	0.8
93.03418	0.7
95.04974	1.5
97.02908	0.3
107.04990	2.0
111.04445	1.2
121.02879	1.0
123.04438	1.1
127.03920	0.7
130.66695	0.3
131.04935	1.1
133.02858	1.2
135.04430	2.6
139.03914	100.0
140.04234	0.7
140.07022	0.5
145.02895	0.4
146.06021	3.5
147.04434	0.9
149.05981	0.7
151.03949	3.3
153.01776	0.7
153.05493	1.2
159.04419	2.7
163.02551	0.5
163.03920	10.2
165.05469	0.3
167.07074	0.5
169.04976	1.5
174.05507	0.4
175.03899	0.4
177.05495	2.8
179.06955	0.4
181.04977	5.7
183.66611	0.3
195.06526	2.8
205.04994	0.8
219.06564	0.3
223.06004	1.4
247.06068	0.4
289.07050	0.7
296.61438	0.3
307.08276	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0627
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85446	1.3
54.02142	1.0
56.96557	4.2
60.31963	1.1
69.70436	6.3
91.05481	6.2
98.20681	1.2
98.97599	5.2
101.00900	10.5
110.89708	1.1
110.97532	1.8
114.56242	1.1
115.02466	2.7
116.98685	2.4
119.01938	28.5
119.04964	16.0
120.05343	1.3
126.05555	1.1
131.01898	1.2
133.03476	4.9
134.99823	2.5
137.02997	5.6
139.03911	2.2
143.01895	4.4
147.04417	49.8
148.04782	5.2
149.04956	1.9
151.04535	2.0
153.00946	1.5
155.01974	1.3
158.99896	3.4
161.02965	12.8
162.99422	4.5
163.03897	5.3
165.99484	1.2
168.99872	2.7
173.02992	1.3
177.00970	51.0
177.02408	2.4
178.01054	1.3
179.03876	1.7
181.03474	3.9
184.02455	1.3
187.00932	6.1
187.10037	1.6
189.00931	2.1
189.02480	1.4
196.99353	1.5
200.02600	3.1
201.00989	1.6
205.00407	7.2
205.01990	1.9
215.00421	6.4
217.04070	2.7
217.07457	1.3
219.01964	16.0
219.03603	1.7
221.04900	1.9
223.04497	1.9
225.00931	2.3
225.04305	2.5
229.02023	2.0
232.99847	1.7
235.01543	19.3
243.02045	8.5
247.02974	12.1
249.04224	2.5
258.03140	5.2
261.03101	100.0
262.03107	1.7
265.03979	2.7
279.00574	3.0
284.01163	2.8
284.04617	3.4
289.04062	2.9
297.01706	1.2
307.06329	3.5
307.12903	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	306.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
60.74873	0.3
66.70367	0.3
67.05473	0.4
69.07068	1.2
69.49036	2.4
69.49423	0.7
79.05496	0.6
81.07082	0.8
91.05473	0.5
93.07043	0.7
94.04194	1.5
107.08592	0.6
109.10152	0.6
114.09161	0.7
115.93060	0.4
122.03664	4.7
125.48491	0.3
126.09180	0.5
133.10136	1.0
135.11714	1.7
137.05988	100.0
138.06349	0.5
143.20088	0.4
153.12778	1.4
170.15379	2.8
182.15405	2.5
185.38966	0.4
238.73244	0.4
299.99161	0.4
306.20651	1.2
318.07690	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55055	1.4
55.52320	1.4
57.07077	100.0
58.56543	1.3
59.99112	12.0
63.31712	1.2
67.05485	3.1
69.38951	4.2
69.39368	7.4
70.53136	1.3
79.05502	3.1
79.85377	1.3
86.06066	17.3
93.07041	2.1
95.04920	1.7
98.21516	2.3
102.03744	2.6
102.99670	2.1
106.06557	69.4
107.29817	1.4
116.05322	48.8
119.37418	1.3
122.03639	1.6
123.85722	1.3
124.17023	1.2
137.05025	1.5
137.05995	22.5
142.12225	1.4
145.04303	12.3
200.62976	1.3
201.10577	68.4
208.05383	3.9
250.10081	4.7
306.12680	2.1
306.16342	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	306.006
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44457	1.3
55.01854	1.7
55.05506	1.9
55.93528	2.5
56.94311	2.7
69.03419	1.5
70.06592	1.9
71.19816	1.4
71.20142	1.6
72.93798	23.7
74.06081	4.1
79.05490	3.0
81.03401	5.0
81.07066	1.9
85.06534	1.4
90.94825	11.2
91.05478	17.7
95.04965	5.2
97.06569	1.7
99.92893	1.4
102.02572	1.3
102.04704	2.2
103.05467	11.3
105.06998	2.2
107.08600	1.6
108.95868	3.4
119.04951	43.9
121.06507	5.0
121.10177	1.3
122.02723	1.9
123.04415	2.6
127.03945	6.9
128.04243	4.4
128.96350	1.4
131.04945	81.0
131.05933	3.8
137.05956	2.2
139.03886	1.5
146.06044	3.0
147.04417	30.5
148.04768	1.9
150.98389	2.2
151.03984	1.8
152.04248	2.2
152.96304	1.6
158.97374	1.7
166.97952	2.9
170.97296	1.3
174.98434	12.7
177.03355	1.3
178.97971	2.7
179.03500	1.9
180.03702	2.8
181.96596	1.8
184.98924	2.3
188.07097	5.6
192.99472	20.0
195.94598	1.6
199.97595	2.8
200.07104	2.6
200.98459	1.8
205.09821	1.4
211.00468	1.7
214.08635	3.4
218.97369	2.4
236.98459	39.9
239.00005	5.0
242.08058	3.5
246.07643	2.8
254.99529	100.0
260.00046	2.9
264.97937	9.4
269.01099	3.1
273.00638	17.3
278.01123	5.2
282.99020	71.8
288.05807	2.1
288.08658	2.8
297.00589	1.4
301.00061	8.8
306.00641	6.8
306.07138	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2478
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
53.03960	6.1
55.01872	3.2
55.05513	20.5
57.03435	5.5
57.07075	8.2
67.05515	33.4
69.03430	9.2
69.07069	33.9
70.96543	5.1
71.04990	10.5
75.28063	2.4
79.05499	24.3
81.03426	3.9
81.07063	100.0
83.04982	11.9
83.08629	13.7
85.02895	3.3
85.06538	5.2
88.07655	12.4
88.63602	2.3
91.05487	23.3
93.07052	52.1
95.04998	5.4
95.08051	4.8
95.08621	70.3
97.06564	11.5
97.10172	9.9
99.04443	5.4
101.54778	2.4
103.03933	2.7
105.07036	38.3
107.08604	57.2
109.02880	5.3
109.06516	13.9
109.10166	41.8
111.08090	9.3
111.11754	3.5
113.09689	3.3
117.07031	6.5
119.08596	32.0
121.06538	3.7
121.10159	44.2
123.04446	7.8
123.08067	8.4
123.11730	18.2
125.09614	9.0
127.03928	47.5
127.11216	7.2
129.07014	5.0
131.08557	11.4
133.10136	27.9
135.08105	3.3
135.11708	26.1
137.09642	9.3
137.13283	8.7
139.03929	9.1
139.11238	4.4
139.67032	2.4
143.08559	8.8
143.10657	3.9
145.10138	16.2
147.04466	12.6
147.11687	21.3
149.13272	22.5
151.03929	16.9
151.11220	6.9
153.12808	4.2
154.06572	6.5
155.03436	3.2
157.10130	8.0
158.08380	7.6
159.08780	7.4
159.11717	19.9
161.09677	3.3
161.13264	15.5
163.07445	2.3
163.11203	4.3
163.14862	7.0
165.12819	3.3
171.11708	8.3
173.13242	13.3
175.14789	8.5
177.16451	8.2
179.03447	11.5
179.14243	3.3
185.13268	6.4
187.14812	4.3
189.16403	9.5
199.11319	3.2
199.14886	4.6
201.16452	11.6
205.15831	4.1
211.08661	3.2
213.16417	10.7
214.21709	8.7
223.16945	5.7
231.17381	3.3
258.24390	3.1
263.12762	4.0
269.22699	14.3
287.05377	4.9
287.23804	12.4
305.06320	11.9
305.17685	5.9
305.21225	6.8
305.24780	36.7
306.26358	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	305.2477
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
53.03937	5.3
55.01866	9.3
55.05515	25.8
57.03442	23.3
57.07080	5.9
59.05005	3.0
59.62508	1.4
61.02917	1.9
65.03935	2.0
67.05512	22.1
68.99801	7.3
69.03435	20.9
69.07072	26.7
70.85846	2.7
70.86194	3.7
71.04998	9.7
71.08605	1.9
73.02917	2.4
75.04482	2.8
79.05508	16.2
81.03425	22.4
81.06581	2.6
81.07063	46.9
83.04986	100.0
83.08633	10.8
85.02908	11.6
85.06548	5.1
87.00832	8.5
87.04482	2.7
88.07658	2.1
91.05488	14.0
93.07053	34.7
95.04983	6.5
95.08614	45.1
97.02903	6.5
97.06530	6.1
97.10196	2.7
99.04471	13.1
99.08104	3.1
103.03952	13.7
105.07040	22.7
107.07884	1.4
107.08604	35.3
109.02898	14.3
109.06551	5.9
109.10165	35.3
111.04459	1.8
111.08108	4.2
117.05457	1.8
117.07033	3.9
119.08586	27.4
121.06532	3.9
121.10149	25.8
123.04468	3.4
123.08084	4.8
123.11724	12.1
125.06019	2.0
125.09637	5.8
127.03925	44.4
127.07544	3.6
128.06282	2.8
129.07004	4.3
131.08546	11.8
133.10146	19.1
135.11708	21.9
137.09627	4.7
137.13289	6.5
139.03897	6.2
139.11241	2.2
142.07794	2.0
143.03430	3.5
143.08569	7.1
144.09404	2.0
145.10135	12.2
147.04451	2.4
147.08095	2.2
147.11671	14.0
149.09636	5.9
149.13264	18.6
151.03905	13.6
151.11179	2.8
155.08487	1.5
156.09375	2.3
157.10146	11.1
159.11700	13.2
161.04471	4.0
161.09666	2.9
161.13310	9.3
163.11125	2.2
163.14854	5.6
165.12834	4.7
171.11722	9.9
173.13258	13.0
175.11217	2.1
175.14796	6.3
177.05588	1.5
177.12823	3.0
177.16391	6.2
179.03424	10.0
183.06548	2.9
185.09618	2.8
185.13237	4.6
187.11261	1.8
187.14836	5.5
189.03900	3.1
189.12778	1.8
189.16380	4.3
191.14378	2.7
195.11757	1.9
195.13753	2.2
199.11275	2.5
199.14746	3.8
201.16446	5.4
203.14375	2.0
203.18033	3.4
213.03932	17.1
213.16422	6.8
215.17987	2.1
217.12297	1.8
217.15915	2.2
217.19595	3.1
227.10635	3.0
227.14626	2.0
227.17960	1.8
229.19562	3.8
231.17505	3.1
241.19604	1.7
243.25089	3.5
245.11691	2.1
259.20563	2.1
259.24158	2.0
263.12796	5.1
269.22610	6.6
287.05225	3.0
287.08047	2.2
287.20410	2.8
287.23743	14.6
305.05856	9.0
305.09219	2.9
305.14130	1.9
305.17706	3.3
305.21164	10.7
305.24765	37.8
305.28720	6.4
309.12076	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2477
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
53.03957	2.3
55.01859	1.7
55.05297	1.2
55.05520	13.4
56.41902	1.2
57.07075	5.9
65.03954	1.8
67.05511	10.8
69.03450	2.1
69.07069	11.4
69.30171	4.7
69.30606	5.3
70.06609	7.2
71.04993	2.6
71.06939	2.4
79.05492	6.8
81.03439	2.1
81.07065	26.5
83.04990	50.8
83.08628	4.3
85.06545	1.9
88.07641	9.6
89.07970	2.6
91.05491	18.2
93.07062	16.6
95.04984	3.0
95.08614	22.3
97.02886	1.2
97.06546	4.9
97.10165	2.1
99.04484	1.5
99.08115	2.5
102.09174	4.2
103.09534	2.0
105.07037	13.6
107.08611	17.4
109.02906	2.3
109.06535	3.4
109.10162	18.3
111.08092	2.9
115.05502	1.4
117.07065	1.9
118.77159	1.0
119.04955	31.2
119.05784	2.4
119.08591	12.4
121.06477	1.1
121.10140	14.0
123.04437	2.8
123.08121	2.9
123.11709	7.1
125.09621	2.4
127.03928	24.6
127.07576	2.9
129.07053	1.6
129.09167	1.0
130.06512	3.0
131.08533	2.7
132.08119	7.3
133.10138	8.9
135.11722	13.0
137.09650	1.7
137.13290	4.6
139.03923	4.7
139.11192	2.1
142.06607	1.2
143.08571	2.3
144.04456	1.2
145.06535	1.3
145.10135	4.4
147.04422	100.0
147.11694	6.8
148.04744	1.8
149.09584	2.0
149.13251	10.2
151.03928	10.2
151.11220	2.3
153.12767	1.5
154.06534	66.9
155.03419	2.0
155.07256	4.4
156.09384	1.6
157.10155	3.2
159.09192	33.8
159.11725	5.7
160.07590	1.3
161.09647	2.0
161.13249	5.3
163.14819	3.6
165.12720	2.1
167.07301	3.9
168.08116	14.9
171.11746	3.2
173.13292	3.2
175.03828	1.6
175.14819	2.6
177.16380	4.1
179.03421	8.4
185.09595	1.3
185.13266	1.9
187.14870	3.0
189.16446	2.9
199.11191	2.4
199.14818	1.7
201.16371	2.2
203.17952	2.0
211.08670	26.3
213.16399	2.8
217.16124	1.4
227.10730	2.2
229.19545	2.1
231.17426	1.8
242.24707	1.4
243.25131	19.0
245.11835	2.0
259.24261	1.7
263.12927	2.7
269.22644	6.2
277.07156	1.4
287.05597	2.6
287.23654	8.6
287.26703	1.1
287.27826	0.9
305.06265	6.4
305.13016	3.0
305.21335	2.5
305.24826	21.1
305.28827	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2475
Annotation	Arachidonic Acid (peroxide free)
Peak:m/z	Relative Intensity
51.02359	0.9
51.33163	0.6
53.03947	2.4
55.01868	2.0
55.05511	12.9
57.03410	0.7
57.07080	5.1
57.07321	1.0
60.50214	0.6
65.03951	1.2
67.05506	38.6
69.06724	1.1
69.07072	16.5
69.41145	5.9
71.04980	2.2
71.08617	1.5
79.05495	32.7
79.37437	0.8
81.03368	0.9
81.07059	38.7
83.04973	2.5
83.08627	8.0
84.42001	0.6
84.90089	0.7
85.06549	3.4
85.10172	1.7
91.05479	23.9
93.07047	49.2
95.04956	2.6
95.08610	31.4
95.09072	0.4
95.09250	1.1
97.06525	2.9
97.10149	2.5
99.08081	0.8
101.06001	1.1
105.07035	26.1
107.04990	1.7
107.07863	1.2
107.08598	25.2
109.06516	2.0
109.10155	10.3
111.11721	0.9
115.05435	0.8
117.07010	5.5
119.08585	22.2
121.06498	4.1
121.10146	34.2
123.08075	2.0
123.11734	4.2
125.09602	0.8
127.03917	1.9
128.06233	0.9
129.07021	3.7
131.08562	10.5
133.06490	2.2
133.10138	20.0
135.08084	6.2
135.11685	12.7
137.05984	2.1
137.09558	1.0
137.13242	4.4
139.07521	1.6
143.08540	4.7
145.10124	6.0
147.08052	2.2
147.11696	19.2
149.09628	5.8
149.13274	5.6
151.11192	1.1
151.14822	2.6
153.09097	3.4
157.10121	4.4
159.11679	2.4
161.09630	3.8
161.13255	8.2
163.11177	1.7
163.14842	6.3
165.09128	1.5
165.16376	0.8
167.10643	2.8
171.11717	6.2
173.13315	1.6
175.11221	4.4
175.14813	2.8
177.12811	0.9
177.16388	7.0
179.10716	3.2
181.12262	1.3
183.13728	0.8
185.13312	4.6
187.14836	0.7
189.12741	5.7
189.16389	2.3
191.17924	4.0
193.12277	6.0
195.13760	1.4
196.64241	0.6
199.14813	1.5
203.14354	2.8
203.17990	3.1
205.15843	0.8
205.19508	1.5
207.13802	10.4
209.15347	1.3
217.15916	0.9
221.15382	12.1
223.16956	2.5
235.16924	4.4
241.19565	0.8
243.21136	1.3
245.22650	8.2
249.18530	2.4
259.20599	2.3
269.22641	6.2
273.18536	1.2
287.23730	9.0
296.09888	0.9
305.24747	100.0
306.24942	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2111
Annotation	Caribenol B
Peak:m/z	Relative Intensity
53.03944	1.1
55.01863	3.1
55.05517	12.3
57.03426	2.2
57.07087	1.5
59.05012	1.8
61.45282	1.2
67.05509	12.3
69.03437	2.0
69.07059	6.3
69.22764	12.9
71.04978	1.2
79.05123	1.3
79.05499	15.5
81.03436	1.4
81.07063	19.1
83.08605	6.4
85.06523	2.5
91.05489	14.8
93.07053	11.6
95.04963	4.3
95.08619	8.2
97.10173	8.7
99.14691	1.2
105.07030	11.8
106.35304	1.1
107.04939	4.4
107.08608	8.9
109.06522	2.8
109.10161	4.3
111.08080	2.1
112.68500	1.1
117.07025	6.1
119.04948	2.1
119.08584	12.8
121.06517	4.1
121.10151	4.6
123.08112	2.6
125.09617	7.4
126.88601	1.2
127.03902	5.4
129.07018	4.3
131.08582	7.2
133.06505	3.9
133.10153	2.9
133.11263	1.1
135.08064	5.7
135.11668	2.8
137.05974	3.3
141.07005	1.3
142.07755	1.3
143.08615	4.1
145.10132	6.1
147.08066	8.9
149.09706	2.8
149.13322	1.4
151.03931	2.0
153.09064	1.5
157.10141	2.9
159.11757	1.9
161.09641	2.7
162.10419	1.8
163.11215	1.7
168.95735	1.2
171.11639	1.6
173.13249	2.0
175.11302	2.2
182.13802	1.1
199.11121	1.4
201.41228	1.3
203.12825	3.9
217.89458	1.3
255.17377	2.6
263.12717	2.1
263.16425	1.8
273.18500	9.4
287.20001	1.4
305.05695	1.7
305.21130	100.0
306.21356	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.0
53.03947	6.1
55.01875	9.4
55.05515	15.4
56.96554	1.9
57.03439	23.8
57.07070	1.2
63.00878	0.9
65.03935	3.9
67.05507	37.5
67.05872	1.9
68.99793	2.0
69.03430	2.2
69.07080	7.0
69.57886	1.5
69.58307	5.9
71.04988	3.6
71.40952	0.9
73.02890	1.6
75.24239	1.0
77.03947	1.7
79.05499	54.8
81.03423	20.7
81.07056	32.0
83.04983	24.6
83.08634	2.7
85.06532	2.9
86.77549	0.9
88.47333	1.0
91.05485	100.0
93.07050	32.0
95.04968	10.8
95.08614	20.3
97.02887	1.7
97.06541	9.3
97.10180	1.5
98.20739	1.5
98.97585	5.5
99.04465	0.9
103.03938	3.3
103.05469	7.6
105.04507	1.3
105.07032	32.8
107.04964	7.1
107.08591	12.9
109.02879	2.4
109.06513	8.3
109.10162	6.1
111.00806	3.1
111.08091	1.4
115.05470	11.5
116.06283	1.8
116.98631	1.7
117.07026	41.2
119.04908	1.1
119.08591	39.7
121.06532	7.4
121.10148	7.8
123.04434	2.1
123.08067	6.7
123.11710	3.9
125.09608	1.4
127.03924	14.4
128.06227	13.8
128.98622	1.0
129.05582	6.8
129.07008	54.8
130.07758	1.2
131.08575	19.4
132.05774	1.3
133.06487	6.4
133.10139	8.5
135.08057	7.9
135.11678	3.1
137.09621	3.4
139.03920	4.0
141.07004	11.5
142.07784	3.0
143.08566	15.2
145.06467	3.8
145.10136	7.0
147.08049	26.1
147.11673	3.9
149.09642	4.5
149.13290	2.1
151.03925	4.1
151.07640	1.1
153.07002	2.1
154.07713	2.2
155.03453	1.1
155.05984	2.0
155.08528	2.5
156.09378	1.2
156.85829	1.0
157.06509	1.6
157.10126	10.6
159.11678	4.7
161.09671	5.0
161.13222	2.2
165.07005	2.7
165.09058	2.8
167.08591	5.6
169.10114	10.6
171.07990	1.7
171.11674	8.7
173.01169	1.4
175.03795	1.1
175.11069	2.1
175.14780	2.3
177.00763	1.4
179.03339	3.3
180.09293	1.4
183.11673	1.6
185.09570	2.4
185.13263	8.5
187.11247	4.8
188.39249	1.0
191.02272	1.4
195.11691	5.8
203.03371	1.2
203.14410	1.3
213.12793	6.9
223.13208	1.7
231.13759	3.0
239.12720	1.2
253.73538	1.1
269.22775	1.0
287.05386	1.7
287.16510	1.7
305.06308	2.8
305.11359	1.0
305.14261	1.2
305.17532	17.9
305.21097	1.8
305.24731	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.7
55.05507	2.0
55.65742	1.4
57.07071	2.1
58.34283	1.5
58.74186	1.7
61.02898	1.6
67.05494	2.6
68.99770	2.0
69.03431	7.7
69.07088	2.3
69.73595	4.2
69.74009	5.5
70.42451	1.9
71.04998	12.5
73.06569	2.2
79.05479	2.1
81.03416	5.6
81.07062	2.2
83.04980	3.8
83.06087	2.7
83.08613	2.1
85.02902	11.2
85.06528	6.0
89.44473	1.6
91.05492	17.1
93.07053	1.6
95.04978	8.8
95.08552	1.5
97.02883	5.0
97.10160	5.9
97.43917	1.6
98.20764	1.9
99.04440	1.6
103.05415	2.1
103.85504	1.5
105.03365	2.3
105.07033	2.5
107.04977	2.5
107.08605	17.5
109.02882	6.7
111.04426	2.7
119.04953	34.9
121.06480	2.9
123.04438	14.6
125.09640	29.2
127.03930	82.8
131.04901	2.5
133.02858	4.7
133.06464	3.8
137.09590	2.3
139.03918	21.1
141.77420	1.6
142.07677	1.8
143.07098	3.1
143.10678	30.9
145.04980	1.8
147.04425	100.0
149.02306	3.9
151.03925	31.3
153.01788	3.6
155.03386	5.1
157.10020	2.2
161.06078	1.9
167.10701	7.6
173.05975	2.5
175.03932	4.2
179.03429	27.1
185.05963	3.4
186.09145	1.6
200.07130	5.1
203.03470	4.4
205.03497	3.4
213.05464	5.0
214.08638	4.1
217.05029	2.8
221.04449	2.3
223.04449	4.6
227.10745	2.0
231.06476	4.5
241.05008	5.2
242.08084	3.3
245.04539	2.3
245.09306	4.5
245.11699	2.2
247.04552	8.3
259.06067	6.1
260.09216	1.8
263.12808	5.9
277.07114	3.0
287.05469	11.5
287.10297	3.0
305.06613	24.9
305.10593	2.3
305.18008	3.3
327.42331	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	9.0
55.05508	23.9
57.03428	9.7
57.07072	9.2
61.02917	4.0
62.06004	3.5
65.03941	5.2
67.05511	38.8
68.99799	6.2
69.03439	25.3
69.07073	31.3
70.04071	4.2
71.01357	8.8
71.05000	47.7
71.56759	5.0
73.06557	6.0
79.05499	39.6
81.03429	20.6
81.06583	5.3
81.07065	90.3
83.04993	17.7
83.08620	14.5
85.02906	26.3
85.06563	9.7
91.05484	33.6
93.07056	57.5
95.04978	42.0
95.08612	80.5
95.09167	7.0
97.02892	22.0
97.06545	15.7
97.10188	16.3
99.04461	6.9
99.08092	7.4
103.03947	9.0
105.07037	44.4
107.04987	11.1
107.08601	94.1
109.02880	13.1
109.06540	20.7
109.10164	48.2
111.04492	7.6
111.08105	9.5
111.11780	4.5
117.07033	7.1
119.04948	4.2
119.08598	47.2
121.06529	16.3
121.10136	38.6
123.04451	23.1
123.08092	20.0
123.11713	21.3
125.05971	4.9
125.09660	41.3
125.22253	3.5
127.03930	100.0
127.11196	12.0
128.06133	4.8
129.07080	7.8
129.07924	3.5
131.08589	12.1
133.06528	4.9
133.10136	27.9
135.08069	12.7
135.11714	32.8
137.05984	24.2
137.08670	4.0
137.09633	49.8
137.13295	9.3
138.09161	5.2
139.03903	25.8
139.07547	3.6
139.11172	8.0
141.06894	3.4
141.09137	4.7
143.08568	15.6
143.10675	36.3
145.04953	5.7
145.06494	6.1
145.10161	19.8
147.04410	11.6
147.08087	6.3
147.11728	27.1
149.05963	3.9
149.09630	8.8
149.13277	18.5
151.03931	42.6
151.11215	12.0
153.05551	4.4
153.09160	7.3
155.03456	6.3
155.10529	3.4
156.09366	3.9
157.10138	16.9
159.11717	22.4
161.09642	10.6
161.13225	11.9
163.07521	7.6
163.11180	10.5
163.14801	6.6
165.09073	7.4
165.12694	4.6
167.10658	30.2
169.10170	3.8
171.11662	10.3
173.13304	9.7
175.11211	12.1
175.14825	4.7
177.16418	13.0
179.03415	36.3
179.10670	15.0
185.13298	5.8
187.11200	4.0
187.14911	6.4
189.16422	8.2
191.10764	9.3
199.14900	5.3
201.12779	6.1
201.16400	15.4
203.03362	3.6
203.08218	23.8
203.10825	6.5
203.17992	11.3
204.06508	7.3
205.12292	4.3
209.11726	10.8
213.16316	4.7
217.09923	4.9
217.12320	3.7
219.13831	4.9
219.17407	6.5
221.11694	4.8
221.19083	5.6
233.11682	8.1
235.97163	3.3
243.17516	5.8
245.09303	16.8
245.11574	5.1
245.15129	3.3
249.57892	3.5
251.12798	4.5
259.10666	4.5
261.18585	8.0
263.10309	14.9
263.12845	5.7
269.13779	6.5
269.18509	3.8
269.22757	7.5
287.05432	13.3
287.10254	7.2
287.16745	7.7
287.20126	12.3
287.23654	10.7
305.05698	50.0
305.11023	17.1
305.17542	10.8
305.21112	25.7
305.24750	36.0
306.26324	7.2
315.18945	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03971	0.6
55.01887	0.8
55.93541	0.7
57.03441	0.8
61.02945	1.4
65.03949	1.0
69.03432	4.5
69.87209	1.4
69.87623	1.6
73.02907	0.6
79.05492	0.7
81.03432	2.2
85.02913	9.1
89.03958	1.0
91.05487	12.6
95.04957	0.5
97.02926	3.0
99.04450	0.7
105.03382	1.1
105.07065	0.6
107.04974	1.1
109.02899	2.5
111.04471	0.7
115.08616	0.6
117.03423	1.4
119.01968	1.1
119.04952	29.2
123.04453	2.1
125.02339	0.6
127.03931	20.7
131.04918	1.3
133.02869	2.8
133.06480	1.5
135.04431	3.6
137.03030	0.6
139.03914	6.2
143.03410	86.3
143.08098	1.0
145.02914	2.7
145.04901	1.0
147.04420	100.0
148.04724	0.8
151.03922	7.8
155.03368	2.0
156.09375	0.7
157.10126	1.3
159.04396	0.8
161.02374	1.0
161.05965	1.1
163.03906	10.4
165.05446	0.8
173.05992	1.0
175.03909	1.9
177.03946	1.7
179.03403	6.9
180.45921	0.5
185.02119	12.2
185.05931	0.7
185.09441	1.0
187.03883	0.7
189.05498	1.0
191.03426	0.9
195.04967	1.7
199.03946	0.9
199.11159	1.1
201.05434	0.8
203.03366	1.4
205.03481	3.6
213.05505	1.3
217.04817	1.7
219.05063	1.7
220.01933	0.8
223.04593	4.8
227.10588	1.4
229.03362	1.2
237.06076	0.8
238.03168	0.8
241.04955	0.7
245.11693	1.1
247.04482	10.9
259.05939	0.8
261.03632	2.1
263.03970	2.1
263.12793	3.4
265.05368	1.5
277.07147	0.7
287.05612	3.7
305.03070	1.1
305.06436	5.0
305.09787	0.7
305.10938	0.7
317.36902	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0657
Annotation	5,7,3',4',5'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
53.03957	1.2
55.01865	3.4
57.03439	1.5
65.03929	4.5
66.42706	1.4
67.01864	1.7
67.05492	4.1
68.99786	6.0
69.03426	4.3
69.07075	2.2
69.86465	3.6
69.86869	2.1
70.06583	1.5
71.02935	1.1
81.03424	5.7
81.07054	1.8
85.02901	7.9
86.03242	2.2
91.05475	4.3
93.03410	1.7
93.07024	2.0
95.04980	6.8
97.02876	4.2
97.06542	1.4
103.03905	1.4
105.03381	4.5
105.07006	1.9
107.04960	2.0
109.02893	6.1
111.00808	2.6
111.04437	5.6
111.49847	1.2
115.09464	1.3
119.04922	4.9
120.08083	1.5
121.02866	13.3
121.06486	1.6
123.04436	78.2
125.02441	1.3
127.03922	88.0
128.04216	1.4
129.06964	1.8
131.04944	4.7
133.02835	7.1
133.06444	1.9
135.04420	3.1
137.02333	2.7
138.09116	2.4
139.03914	20.0
142.08640	5.0
143.07094	1.4
143.08952	3.5
143.10646	2.6
147.04427	15.7
149.02347	74.5
150.03082	3.3
151.03900	38.3
153.01831	100.0
155.03354	4.2
156.08083	1.5
157.06532	6.0
157.10002	1.4
161.02373	6.1
161.06010	2.2
165.05484	1.2
167.03401	10.1
169.06261	1.4
171.02820	1.8
173.05986	3.3
175.03932	4.4
175.07590	2.5
179.03404	32.3
183.09154	3.3
184.09589	1.3
185.05966	12.3
185.09969	5.2
189.05487	2.7
191.03421	2.2
193.04929	1.4
195.02931	18.7
200.07066	21.5
202.08629	2.9
203.03404	5.1
209.09943	1.7
213.05473	16.9
217.04955	4.0
217.12262	1.6
227.03275	1.1
228.06540	15.1
231.06528	54.4
236.98589	1.2
241.04947	9.1
245.04413	4.5
245.09251	34.0
245.11723	2.7
254.99557	2.5
258.05087	2.9
259.06021	67.1
263.12927	1.7
263.84738	1.3
269.04239	2.4
273.08710	1.9
277.07138	3.7
282.98990	2.6
287.05527	31.6
287.10321	2.1
287.13669	2.5
305.03220	1.8
305.06531	34.4
305.11273	18.2
305.14636	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0657
Annotation	12-Methoxycitromycetin
Peak:m/z	Relative Intensity
51.02386	1.2
53.03955	1.7
55.01859	3.5
55.05497	1.4
61.02931	1.3
65.03928	1.9
67.05501	2.6
68.99790	7.4
69.03415	5.0
70.03825	2.1
70.04207	2.8
71.25491	1.5
79.05476	1.6
81.03406	5.3
81.07037	1.3
85.02912	9.8
89.03862	1.3
91.05483	3.2
93.03407	1.4
93.07072	1.3
95.01315	1.7
95.04937	2.4
95.08594	1.4
97.02885	4.2
97.06505	1.3
97.10168	3.4
105.03416	2.5
105.07008	1.5
107.04984	2.0
107.08546	1.7
109.02868	6.7
109.06542	1.1
109.10115	1.3
111.00814	4.3
111.04446	2.2
115.05402	2.4
119.04916	3.3
121.02855	7.7
122.06054	2.2
123.03555	2.4
123.04436	38.2
123.08033	1.7
125.09637	2.6
127.03925	88.4
128.04369	1.4
128.06215	1.3
129.07022	2.0
131.04889	2.1
133.02832	3.7
133.10196	1.4
135.04433	2.3
138.09129	2.1
139.03902	15.4
141.07048	1.6
142.08624	2.0
143.10675	7.5
145.04987	1.9
145.06458	1.9
147.04416	15.9
149.02351	68.1
150.03017	1.7
151.03908	35.6
153.01839	28.6
155.03372	4.2
157.06470	5.3
157.10065	1.6
161.02382	3.5
161.05954	2.2
163.03889	1.2
163.07539	1.6
165.05508	1.9
167.03429	2.7
171.02855	2.3
173.05940	1.9
175.03946	9.3
175.07495	1.4
177.05482	2.4
179.03403	34.4
185.05980	10.3
185.09865	2.1
189.05554	2.6
191.03419	1.4
195.02899	3.0
197.06042	1.7
199.03740	1.7
200.07025	2.9
203.03416	11.6
213.05461	17.3
217.04922	2.8
227.10623	1.6
228.06500	2.2
231.06522	58.8
241.05038	9.6
245.04457	2.8
245.09227	4.5
254.99475	1.5
259.06039	100.0
263.12814	5.0
269.04443	3.8
277.07092	1.8
287.05505	39.3
287.10278	2.7
287.13663	1.8
305.06476	29.4
305.11270	4.9
305.14526	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	305.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
56.96327	0.2
56.96566	2.2
65.03934	0.8
69.03427	0.4
70.80293	0.4
70.80619	0.2
70.98105	0.3
83.72465	0.2
85.02893	0.4
89.03898	0.3
91.05486	12.1
97.02898	0.4
98.97585	2.5
101.00864	0.5
110.97549	0.2
116.98645	1.3
116.99390	0.2
119.01933	2.1
119.04946	28.6
120.05286	0.4
121.01638	0.3
124.95488	0.2
125.02332	0.3
127.03934	0.6
130.93300	0.2
131.04912	0.5
134.99675	0.6
135.04430	0.5
137.02965	0.4
143.00212	0.4
143.03377	0.3
147.04413	100.0
148.04790	0.8
158.99724	0.3
161.01239	0.4
161.02974	0.5
163.03929	1.7
164.04321	0.3
165.00734	0.3
172.94400	0.6
174.99133	0.3
177.03946	1.3
177.30894	0.2
179.02180	0.3
185.02982	0.2
185.09680	0.2
190.95435	1.2
190.98636	0.3
192.02679	0.7
193.00267	0.5
193.03519	0.2
195.05058	1.3
202.98628	0.3
203.05756	0.3
205.03479	3.6
207.05017	0.3
219.05064	1.7
220.02165	1.0
221.01952	0.2
223.04532	5.0
224.04776	0.3
229.03511	0.8
232.96391	1.0
232.99762	0.3
237.06126	0.6
238.03334	0.3
238.47424	0.2
241.05524	0.6
242.05786	0.7
247.04471	10.7
250.97568	0.7
263.01303	0.3
263.03958	1.7
263.12912	0.3
265.05103	1.3
265.07813	0.6
281.01941	0.3
281.05048	0.8
283.06638	0.5
296.85864	0.3
305.05212	0.5
305.08517	0.2
318.49316	0.3
323.06339	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1868
Annotation	Leu-Thr-Ala
Peak:m/z	Relative Intensity
56.59404	0.5
57.57141	0.5
60.04529	13.8
66.84105	0.5
68.05032	1.0
70.02960	1.2
70.23625	1.4
77.95376	0.5
78.13074	0.5
78.70751	0.5
83.06120	0.6
86.09708	100.0
87.10062	0.8
91.05487	1.5
93.07073	0.9
102.05554	6.0
112.48855	0.6
114.06204	0.5
119.04948	3.2
120.06587	36.8
123.04413	1.2
127.03896	3.3
130.05006	9.0
137.06032	0.6
139.03937	1.1
142.08650	0.5
147.04422	9.4
147.05507	0.8
151.03938	2.0
157.13370	28.9
173.09222	13.8
179.03407	0.8
185.12862	22.3
191.10274	8.8
197.06610	0.6
221.04562	0.7
223.04492	1.2
241.05547	1.0
243.13469	2.9
246.06248	1.9
247.04515	1.2
264.07196	0.8
276.13571	1.6
286.17654	6.7
287.05823	0.5
304.01801	1.0
304.05307	1.0
304.08597	0.6
305.06683	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94199	1.3
55.05512	1.6
57.03426	5.2
60.04533	9.6
61.02913	4.7
61.37725	1.4
67.05504	2.3
69.03436	14.0
69.06721	2.5
69.07072	38.8
69.34877	11.4
71.04989	2.0
71.08632	24.8
81.03415	7.8
81.07044	2.0
83.08609	2.5
84.04507	4.3
85.02912	77.3
86.02438	7.1
87.04481	1.9
91.05484	2.3
95.04950	1.3
96.08123	3.4
97.02902	46.2
97.06541	6.6
97.21426	1.4
99.04440	3.9
103.03934	6.5
109.02900	17.0
109.06540	2.0
114.09180	20.1
118.97782	1.5
119.05005	2.1
122.02711	3.1
123.04436	5.4
124.02206	1.6
127.03938	26.8
131.04924	2.8
138.09178	3.6
139.03938	4.5
142.03210	1.7
142.08643	100.0
145.04985	9.6
145.06172	1.5
147.04431	3.0
149.02376	3.2
151.03880	5.1
153.01840	5.9
156.10197	4.8
163.03981	2.6
173.12950	2.0
178.05104	1.9
179.03416	5.6
184.09711	90.4
194.03094	1.5
208.09738	18.7
220.09711	2.2
231.06599	1.9
238.10718	2.6
250.10770	11.5
259.06122	3.0
286.07291	1.9
286.13101	1.9
287.05466	1.8
301.27652	1.5
304.05359	12.3
304.14069	3.1
305.06488	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	304.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	4.2
58.06611	1.4
60.04540	8.2
61.02929	1.8
64.44129	1.3
64.74879	1.2
69.03432	11.7
69.07070	38.4
70.77744	3.9
71.08636	21.5
73.02917	2.5
81.03407	6.9
84.04510	3.0
85.02910	73.8
86.02437	6.5
96.04469	2.3
96.08141	3.7
97.02900	43.5
97.06541	5.1
99.04475	2.7
99.24464	1.4
100.81901	1.3
103.03925	3.9
109.02879	11.9
114.09171	17.8
127.03933	15.3
137.40465	1.2
138.09146	3.9
142.08643	100.0
145.04919	8.0
153.31284	1.4
156.10274	2.1
160.07950	1.3
167.77643	1.4
179.03317	1.5
184.09712	79.7
185.09937	1.6
208.09698	17.2
220.09743	2.6
238.10667	2.4
250.10701	9.2
286.12781	1.7
304.13779	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	304.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
55.01878	2.0
57.03434	5.4
58.02970	1.2
58.06590	1.3
60.04535	8.9
61.02929	2.3
67.90473	1.4
69.03432	14.8
69.07072	45.2
70.96593	2.2
70.96933	1.8
71.08633	23.1
73.02907	2.9
81.03423	7.5
84.04523	3.2
85.02908	68.8
86.02418	7.2
94.93351	1.3
96.08129	3.6
97.02894	44.2
97.06523	7.3
99.04444	1.8
103.03957	5.9
109.02885	15.4
109.10296	1.2
110.09757	1.4
114.09167	19.5
127.03930	13.9
135.60379	1.2
138.09123	6.1
142.08640	100.0
145.04980	6.3
145.05975	1.4
153.98997	1.3
154.86922	1.3
156.10199	2.3
163.77400	1.3
174.74013	1.2
180.10103	2.4
184.09709	85.5
208.09706	18.0
220.09648	2.6
238.10776	3.0
250.10822	14.2
286.12949	1.6
286.36118	1.3
304.05243	3.1
304.13834	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	303.2322
Annotation	(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoic acid
Peak:m/z	Relative Intensity
53.03944	1.4
55.01893	2.1
55.05517	9.5
57.07065	5.7
57.92890	1.3
65.03945	2.9
67.05170	2.7
67.05509	38.5
68.99795	1.5
69.07072	10.8
69.57097	1.5
70.71260	1.3
71.04987	2.2
71.08641	1.5
71.30443	1.5
77.20190	1.3
79.05499	19.3
81.07060	31.7
83.04973	2.7
83.08608	4.6
85.06546	2.5
90.77070	1.7
91.05491	62.7
93.07051	26.3
95.04967	4.3
95.08620	22.0
97.10166	2.1
98.20683	3.2
101.06008	1.5
103.05518	1.7
105.07040	38.9
107.08591	14.7
109.06484	1.7
109.10162	8.1
117.07024	28.5
119.08590	27.9
121.02868	1.4
121.06523	2.9
121.10169	9.5
123.08070	2.0
123.11700	8.3
128.06210	2.5
129.07005	13.9
130.07831	1.9
131.07590	1.8
131.08572	28.9
133.06506	2.1
133.10144	16.0
135.08078	4.4
135.11696	6.0
137.02338	5.5
137.13268	4.2
141.07007	10.8
143.08583	8.9
145.10124	27.0
147.04434	2.3
147.08054	4.1
147.11667	7.8
149.09636	3.0
149.13245	4.1
151.14835	1.9
153.01830	7.6
153.09164	2.5
155.08612	6.6
157.10138	10.4
158.47011	1.4
159.08093	5.5
159.11732	13.6
161.09628	5.7
161.13252	8.6
163.14865	2.6
165.01837	1.8
165.09222	1.7
167.10725	1.4
169.10127	12.9
171.11688	6.1
173.09631	6.3
173.13281	8.6
175.11220	2.0
175.14862	7.4
177.09149	2.0
177.12883	1.6
183.02898	10.1
183.04410	2.0
183.11726	12.8
185.13274	3.2
186.01595	3.8
187.11249	9.5
187.14822	4.3
189.16393	3.7
191.10655	5.6
197.13252	4.9
201.05493	3.7
201.12724	9.0
201.16400	4.8
203.17979	2.4
205.12267	4.5
207.13782	2.4
211.14748	1.4
213.16325	1.4
215.10974	1.4
215.14355	5.0
215.17958	2.2
216.28906	1.4
219.13786	4.2
221.15347	3.2
229.04967	6.8
233.15417	7.1
241.19542	3.7
243.21132	8.4
247.17020	2.6
257.04489	3.6
257.19025	8.9
257.22803	2.1
267.21085	8.6
285.03845	3.3
285.22128	14.8
288.05310	3.2
303.01453	4.0
303.04971	74.2
303.08267	7.5
303.19904	4.5
303.23193	100.0
303.30600	9.5
304.05173	3.4
304.23511	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.232
Annotation	(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoic acid
Peak:m/z	Relative Intensity
53.31377	2.0
55.05508	12.6
57.07076	3.9
61.58156	1.8
63.22889	2.3
64.45647	1.8
67.05511	27.2
68.91334	1.8
68.99805	4.3
69.07069	11.7
69.52026	8.1
69.52432	6.8
71.04993	2.8
79.05502	18.3
81.07059	24.4
83.04989	3.1
83.08632	3.9
85.06522	2.1
88.07598	2.3
91.05484	51.8
93.07055	20.9
95.04979	4.4
95.08610	19.0
97.10159	2.9
105.07034	46.6
107.08579	10.1
109.10181	4.8
111.00834	2.6
117.07017	23.3
119.08588	24.9
121.02893	3.8
121.10158	7.3
123.11658	2.7
129.07019	9.9
131.08571	33.1
133.10123	13.8
135.08044	2.9
135.11710	5.2
137.02379	10.5
137.13333	1.8
141.07001	8.6
143.08554	8.3
145.06415	3.4
145.10152	20.2
147.11719	4.5
149.09700	2.6
149.13194	3.3
152.42744	2.2
153.01817	11.9
155.08580	6.8
157.10130	12.7
159.11700	9.5
161.09621	2.8
161.13286	5.0
165.01843	4.3
168.00554	3.7
169.10144	5.0
171.11707	5.7
173.06038	2.9
173.13269	8.0
175.14874	7.4
183.02898	12.2
183.11665	10.6
186.01556	5.1
187.11174	6.4
187.14874	2.9
189.16460	2.9
191.10670	3.1
197.13272	4.9
201.05563	3.7
201.12727	8.2
201.16377	8.6
205.12177	3.0
211.14752	2.2
215.14417	3.6
219.13855	5.2
229.04991	9.6
233.15393	5.6
241.19423	3.3
243.21156	2.4
257.04520	6.3
267.21100	5.0
285.22119	9.3
303.04993	100.0
303.08337	9.3
303.19687	4.8
303.23172	82.7
303.30609	10.3
304.05344	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	303.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80145	0.2
53.87455	0.2
55.01863	0.3
61.41700	0.2
65.03941	0.5
67.01857	0.4
67.05495	0.3
68.99474	0.3
68.99786	2.3
70.88844	0.2
70.89156	0.2
81.03429	0.9
93.03403	0.6
95.04958	0.8
105.03374	0.3
107.04917	0.2
109.02861	1.0
110.03632	0.2
111.00800	1.8
117.07019	0.4
121.02863	2.1
123.04414	0.6
127.03920	0.3
129.07013	0.2
131.04869	0.4
133.06458	0.2
135.04373	0.5
137.02344	7.3
137.03386	0.5
139.03802	0.2
143.04832	0.2
144.85663	0.2
145.06474	0.8
146.64807	0.2
148.09352	0.2
149.02336	0.6
153.01826	11.4
155.04907	1.2
157.06441	0.4
159.04376	0.2
161.05980	0.8
163.03911	1.0
165.01843	4.2
165.05891	0.2
166.02650	0.5
173.06018	1.2
177.01801	0.3
177.05487	0.2
179.03467	0.3
183.02887	1.6
183.04430	0.8
187.03944	0.8
195.02818	0.6
201.05476	4.1
205.04970	0.5
211.03969	0.4
213.05525	0.3
215.03439	0.2
219.02879	0.4
219.06461	0.6
228.04178	0.7
229.04956	9.8
239.03511	0.3
247.05963	1.2
257.01736	0.3
257.04453	5.1
274.04730	1.4
275.05478	0.5
285.03943	2.2
303.04984	100.0
304.05371	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
55.01866	0.4
57.19045	0.2
65.03945	0.4
67.01865	0.3
67.05502	0.3
68.99796	2.1
70.87621	0.4
81.03413	0.7
86.38756	0.2
92.86915	0.2
93.03423	0.4
95.04964	0.7
105.03396	0.2
107.04996	0.3
109.02882	1.3
110.03642	0.3
111.00271	0.2
111.00830	1.8
115.05437	0.3
117.07050	0.3
121.02879	1.9
123.04430	0.6
127.03901	0.5
128.06200	0.2
131.04890	0.3
133.06483	0.2
133.88754	0.2
135.04424	0.6
137.02353	7.4
137.03383	0.4
145.06494	0.6
149.02396	0.8
153.01843	10.2
155.04904	1.1
159.04424	0.4
159.34805	0.2
161.05980	0.6
163.03926	1.4
165.01862	3.6
166.02602	0.6
171.04449	0.2
173.02478	0.2
173.05997	1.3
177.01869	0.3
177.05418	0.2
179.03395	0.4
183.02895	1.3
183.04472	1.1
187.03868	0.9
191.03384	0.3
191.07161	0.2
195.02873	0.4
201.05478	4.0
205.04971	0.3
211.03976	0.2
213.05501	0.4
219.02878	0.3
219.06548	0.5
228.04225	0.5
229.04974	9.7
239.03407	0.5
245.04590	0.2
247.06107	1.2
257.04468	5.0
274.04727	1.6
275.05496	0.3
285.03934	2.1
303.05005	100.0
304.05295	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0499
Annotation	Quercetin
Peak:m/z	Relative Intensity
52.20261	0.2
55.01860	0.4
65.03928	0.8
67.01859	0.4
67.05500	0.3
68.99792	3.2
69.03429	0.3
69.51362	1.5
69.51693	0.3
81.03405	0.9
91.67135	0.2
93.03391	0.9
95.04993	1.0
98.20779	0.5
105.03369	0.2
106.60380	0.2
107.04943	0.4
109.02903	1.2
111.00807	2.3
111.04476	0.3
115.05451	0.5
117.07019	0.4
121.02878	2.9
123.04483	1.2
127.03937	0.3
128.03146	0.2
131.04965	0.5
133.06487	0.2
135.04405	0.6
137.02350	9.8
137.03378	0.6
145.02844	0.4
145.06503	0.9
149.02370	0.8
153.01839	13.3
155.04904	1.8
157.06522	0.4
159.04427	0.5
161.06026	1.1
163.03915	1.8
165.01851	5.0
166.02641	0.5
173.06023	2.0
177.01860	0.3
177.05545	0.3
179.03403	0.5
183.02901	1.8
183.04449	1.3
187.03967	1.5
191.03328	0.5
195.02898	0.6
201.03751	0.4
201.05479	5.7
205.04979	0.5
211.03905	0.4
219.02881	0.5
219.06541	0.9
228.04283	1.0
229.04980	11.5
230.05324	0.2
239.03427	0.4
247.06102	1.2
257.04449	5.3
258.48962	0.2
274.04718	1.2
275.05560	0.5
285.03967	2.9
303.05005	100.0
304.05286	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0412
Annotation	Unknow
Peak:m/z	Relative Intensity
70.04603	1.9
92.81371	0.4
98.97598	2.1
101.00881	1.9
106.42303	0.4
116.98653	1.9
119.01919	6.6
134.99773	0.9
137.02963	1.2
144.40935	0.5
153.00806	0.5
158.99905	0.8
177.00957	13.0
178.01126	1.3
179.00786	0.6
182.99889	0.5
183.02847	0.6
185.54369	0.4
195.02032	0.5
201.00958	1.1
217.04118	2.5
219.02020	22.4
220.02184	2.7
221.01877	2.5
225.00882	2.3
226.01088	0.5
242.03799	0.5
243.02022	8.4
244.02151	1.5
258.99991	1.0
261.03082	100.0
262.03238	11.7
263.03006	1.3
275.04623	1.6
277.01096	0.5
278.97855	0.5
279.00583	2.0
279.98358	0.8
282.99884	1.6
284.04590	1.8
284.99835	3.4
301.01068	1.5
303.00891	4.1
303.05246	2.1
308.12973	0.4
320.97672	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0499
Annotation	Quercetin
Peak:m/z	Relative Intensity
65.03935	0.4
67.05486	0.2
68.99796	1.7
69.03432	0.3
71.11118	0.4
75.55618	0.2
81.03421	0.5
84.93445	0.2
91.05499	0.2
93.03430	0.4
95.04975	0.5
109.02877	0.7
111.00792	1.3
117.06998	0.3
121.02885	1.6
122.03706	0.2
123.04459	0.4
127.03970	0.4
131.04951	0.4
135.04396	0.3
137.02354	5.7
137.03387	0.4
145.06438	0.3
149.02351	0.7
153.01836	7.4
155.04916	0.6
156.46465	0.2
157.06487	0.2
159.04449	0.3
161.05966	0.4
163.03897	1.1
165.01843	3.1
166.02626	0.5
173.05951	0.9
177.05428	0.2
179.03337	0.2
183.02879	1.4
183.04439	0.7
187.03926	0.6
195.02901	0.5
201.05472	3.1
205.05038	0.6
211.03862	0.4
213.05435	0.2
219.02835	0.3
219.06569	0.4
228.04233	0.5
229.04985	7.2
234.29498	0.2
239.03487	0.5
243.02972	0.2
245.04630	0.2
247.06039	1.0
248.84781	0.2
257.01816	0.2
257.04483	4.2
272.98224	0.2
274.04715	1.1
275.05542	0.5
285.04013	2.1
303.05002	100.0
304.05377	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.9987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48753	0.8
56.96569	6.7
71.55801	1.3
76.40112	0.9
80.75031	0.9
87.51595	0.9
98.97592	22.9
101.00853	4.7
116.98629	17.1
119.01930	17.0
120.02020	1.1
121.01662	1.1
134.99658	9.1
137.02950	5.0
142.03542	6.0
156.10158	1.3
158.99881	3.3
160.04626	1.1
177.00983	28.2
178.00974	1.3
182.99962	1.6
201.00987	2.3
202.93477	1.3
213.93977	0.9
214.92091	2.2
214.95610	2.3
218.03625	1.9
219.02031	58.9
220.94522	1.2
221.01852	2.6
223.01730	2.3
223.44530	1.0
225.01076	1.4
231.95198	1.1
232.93088	3.2
232.96616	2.2
233.03722	1.3
235.96069	1.1
238.46265	1.4
238.95567	17.8
239.46249	1.6
239.95538	1.6
242.03662	1.7
243.02074	4.3
249.97211	1.3
250.94176	1.0
255.94966	3.3
256.93359	3.0
256.96674	100.0
257.96744	4.0
258.96542	3.1
259.00070	2.7
261.03088	68.5
261.97186	8.5
262.03271	3.2
262.92212	1.2
264.95474	2.6
265.45370	1.4
265.92841	1.2
265.95468	2.4
267.45703	2.3
268.45447	1.2
268.95035	1.0
272.94525	4.4
273.94537	1.3
274.94165	15.5
274.97720	27.8
275.97849	1.6
277.00977	1.7
277.45822	1.0
279.98248	51.6
284.98962	1.0
288.95633	3.5
289.45538	1.2
292.95120	8.2
297.59009	1.2
297.96115	1.6
297.99194	8.5
298.61349	1.9
298.97745	6.7
302.73996	1.0
302.99887	4.0
304.61420	1.1
309.96054	1.2
314.95844	1.7
315.96262	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.2
54.47711	1.1
55.01882	1.0
56.96536	1.0
57.03437	2.2
61.02930	1.8
65.03942	2.4
67.05508	27.0
69.03430	12.6
69.07074	7.3
70.81817	2.5
81.03410	5.5
85.02911	37.7
93.68802	1.1
94.06607	1.1
95.04365	2.5
95.04973	46.5
97.02897	30.8
99.04493	2.0
103.03946	2.7
104.21983	1.1
109.02866	7.7
112.07613	30.6
113.06031	3.0
118.44233	1.3
122.06071	2.2
123.04421	1.7
124.07570	2.8
127.03919	7.4
136.07635	2.4
140.07074	100.0
145.04979	2.8
154.08643	7.1
178.08667	1.7
182.08139	64.5
206.08147	14.5
218.08008	1.3
236.09286	2.0
248.09155	9.3
295.75952	1.0
302.12201	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	302.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.3
55.16467	2.8
57.03428	5.9
61.02913	9.4
65.12849	2.6
67.05494	7.1
69.03423	15.4
69.76942	12.0
79.05484	5.3
81.03420	10.5
81.07038	10.1
81.64091	2.8
85.02907	95.7
87.57199	2.6
95.04986	5.3
97.02892	42.6
97.06521	3.4
103.03958	3.1
105.69136	3.5
108.08105	13.4
109.02888	17.6
121.02859	3.4
122.06020	4.6
125.05965	5.6
126.05499	4.9
126.09195	3.9
127.03922	21.0
136.07564	22.6
140.07071	54.3
145.04973	13.0
150.09090	4.3
152.07104	19.3
154.08612	6.4
161.05971	4.0
164.07085	24.2
178.08588	18.6
182.08139	100.0
206.08109	43.0
218.08112	3.7
221.08073	3.2
248.09201	9.6
303.05127	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	302.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58015	1.3
53.03926	1.1
55.01864	1.4
56.96556	1.5
57.03428	3.5
57.77872	1.0
61.02917	2.5
62.67517	1.0
65.03934	1.8
67.05505	34.1
69.03429	14.8
69.07066	7.6
69.76121	1.1
71.04965	1.0
71.32717	1.4
73.02908	2.1
81.03412	6.7
83.38077	1.0
85.02912	41.6
94.06571	2.3
95.04974	53.5
97.02901	39.5
99.04478	1.3
103.03932	3.2
109.02879	7.3
112.07619	33.9
113.06009	3.9
122.06046	2.5
123.04433	1.3
124.07632	2.8
127.03945	8.4
133.06534	1.4
136.07561	2.0
140.07072	100.0
145.04935	2.8
152.07130	1.7
154.08623	6.9
158.08121	1.0
164.07155	1.3
168.00520	1.3
178.08633	3.8
182.08139	63.6
188.53186	1.1
206.08147	14.3
218.08208	2.2
236.09225	2.6
239.02322	3.6
248.09210	9.3
257.03461	2.7
297.02817	1.4
302.12436	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	302.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65930	0.8
53.55690	1.0
55.01858	1.4
57.03419	2.6
61.02928	2.1
65.03930	3.7
66.96210	1.0
67.05509	34.4
68.01528	0.9
69.03434	15.9
69.07077	7.9
69.95075	4.7
71.04981	1.0
71.09579	0.9
71.20055	0.8
73.02918	2.4
81.03417	5.8
84.08130	0.8
85.02912	43.6
86.06077	0.8
94.06580	1.9
95.04976	52.7
97.02900	39.1
98.20802	1.2
99.04453	1.1
103.03941	3.9
109.02901	8.8
112.07616	35.9
113.06009	3.6
122.06010	2.3
123.04418	2.0
124.07597	2.6
127.03914	8.1
136.07622	1.6
140.07076	100.0
145.04950	3.4
150.09161	1.8
152.07010	1.5
154.08684	5.7
164.06946	1.1
164.29166	0.9
173.98883	0.9
178.08655	3.6
182.08142	65.9
206.08130	13.7
210.45346	0.9
212.34441	0.9
213.39920	1.0
218.08128	1.8
220.09694	1.2
236.09180	3.1
239.02185	1.2
247.11697	1.0
248.09157	8.9
279.48099	1.0
302.12469	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96291	0.5
56.96569	9.7
63.04243	0.4
65.03942	0.9
67.05508	3.3
69.03424	1.5
70.82036	0.4
71.55759	0.6
81.03418	0.8
82.05341	0.5
83.06110	2.1
85.02917	3.9
91.05487	10.5
93.04529	1.4
95.04990	3.3
95.06081	3.1
97.02896	3.6
105.07051	0.6
109.02885	1.2
110.07172	54.4
112.07604	2.0
119.04954	31.6
122.06075	0.4
127.03925	0.8
133.06499	2.5
134.05984	0.4
138.06674	0.7
140.03438	3.7
140.07069	8.0
145.04903	0.7
147.04420	100.0
148.04750	0.8
152.07138	0.7
154.08641	0.9
156.07700	64.4
161.05966	0.4
178.08601	0.4
181.01775	0.4
182.08148	6.2
191.00169	0.8
193.01735	0.6
195.03304	2.4
203.00168	1.1
206.08144	1.7
209.01279	1.2
211.02774	1.1
213.04335	2.8
221.01230	3.2
221.02815	0.4
238.05717	0.4
239.02286	28.3
248.09299	0.9
253.03799	0.9
256.10809	1.6
257.03342	21.1
258.03772	0.6
261.06180	1.0
262.03867	1.2
279.01804	5.1
279.07053	1.7
280.04416	0.5
280.07050	0.5
284.10580	0.8
287.05035	2.7
297.02866	5.1
302.07422	2.4
302.11404	9.5
303.01544	0.5
315.03787	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27179	0.5
53.74071	0.6
56.96568	8.4
62.15519	0.5
64.27952	0.6
65.03948	1.1
66.33714	0.7
67.05482	1.0
69.07063	0.7
69.96912	2.0
81.04562	0.7
82.05344	0.6
83.06113	3.3
85.02898	2.0
91.05486	9.9
93.04547	3.0
95.04985	1.2
95.06074	3.7
97.02893	1.4
105.07092	0.6
110.07173	78.5
112.07621	1.3
119.04954	28.4
127.03886	0.6
131.04933	0.6
133.06528	1.6
138.06677	0.6
140.03439	5.0
140.07074	3.0
147.04419	88.6
152.07051	0.7
156.07697	100.0
163.03979	0.6
182.08141	2.3
191.00145	0.6
193.03488	0.9
195.03326	2.6
203.00232	1.4
209.03050	0.6
211.02763	0.9
213.04349	2.7
221.01176	2.2
221.03055	2.1
239.02255	22.3
256.10748	1.6
257.03238	16.8
257.07440	0.7
262.05634	2.1
279.01685	3.9
279.06979	0.7
280.06830	2.7
284.10373	1.0
287.05078	4.0
297.02792	3.6
302.07382	3.9
302.11472	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	301.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.1
55.05515	34.3
57.03442	17.8
57.07081	14.0
59.20007	1.0
61.85228	1.2
67.05507	23.9
69.03445	1.1
69.07073	56.4
70.72430	2.5
70.72797	2.0
71.04981	4.4
71.08633	5.4
73.06541	2.0
79.05064	1.2
79.05502	17.2
81.07060	24.1
83.04965	3.5
83.08133	2.2
83.08621	29.9
85.06530	2.8
85.10187	4.1
87.73646	1.2
91.05486	4.5
93.07043	19.1
95.04971	2.4
95.08611	30.8
97.06535	10.4
97.10177	17.4
99.00803	1.4
99.08081	3.1
101.06007	1.4
105.07012	3.9
107.08601	15.7
109.10167	22.3
111.08092	6.1
111.11729	7.9
112.01528	1.5
113.09667	1.6
117.07000	1.4
119.04944	1.7
119.08570	3.0
121.02873	4.8
121.10159	24.2
123.11698	4.7
125.09621	5.0
125.13204	1.6
127.00280	3.4
131.08549	2.4
133.10104	3.2
135.11702	20.4
139.11200	5.2
143.08534	1.4
145.10109	1.8
147.11707	1.4
149.13281	7.2
153.12732	2.6
157.10114	1.6
159.11653	2.0
160.05107	1.3
163.03899	1.7
168.00555	20.6
173.13376	1.6
186.01596	18.6
186.28181	1.0
191.17947	21.5
205.21184	1.3
209.19026	26.4
217.04987	1.2
227.19965	1.9
258.05341	2.3
273.04126	1.3
283.19977	1.9
283.22723	16.7
285.03922	1.1
286.04739	100.0
287.05048	3.8
301.03802	4.2
301.07065	91.4
301.23886	39.6
302.07373	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	301.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
55.01874	1.9
55.05518	56.9
57.03443	98.4
57.07083	24.3
61.83918	1.9
65.15199	1.6
67.05513	12.4
69.07074	94.5
69.48582	1.8
71.08621	7.9
71.56571	2.6
75.04487	74.0
77.76990	1.7
79.05498	14.1
81.07067	16.8
83.04993	2.4
83.08632	50.1
85.10172	5.8
91.05493	16.5
93.07055	15.5
95.08615	13.6
97.06506	4.0
97.10181	37.9
99.00806	1.9
103.03955	4.0
105.07037	11.4
107.04988	2.7
107.08582	8.2
109.10152	6.9
111.11729	18.9
117.07030	14.7
119.04979	2.0
119.08545	6.2
120.09576	1.5
121.02870	4.9
121.10164	9.4
123.11731	4.8
125.13264	6.3
129.06985	7.5
131.08585	18.3
133.10123	3.6
135.11702	7.0
140.00987	1.9
143.08577	5.2
144.09331	2.2
145.10130	18.2
147.07979	2.5
147.11661	2.4
157.10138	5.1
158.00638	1.9
159.11699	11.2
161.09593	3.9
163.07568	6.8
163.11147	2.4
167.14410	1.8
168.00539	19.1
171.08040	4.7
171.11694	3.6
173.09628	2.3
173.13283	4.8
175.11198	2.1
185.09669	4.0
186.01576	12.5
187.11151	2.8
191.17976	2.0
199.20566	3.2
205.12148	2.2
209.19077	1.9
213.12814	4.0
223.14815	2.0
258.05402	2.2
259.16922	6.7
283.20560	6.5
286.04745	100.0
287.05035	4.1
301.07080	99.8
301.14291	3.1
301.21497	60.0
301.23938	55.0
302.07526	4.0
302.21939	2.1
302.30530	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53683	1.1
53.03934	1.4
55.01871	2.3
55.05515	70.4
57.03442	31.5
57.07076	28.9
59.05006	2.4
67.05170	1.8
67.05510	24.5
69.07072	95.2
69.70493	2.5
69.70905	4.2
71.04987	3.4
71.08636	14.0
73.06555	2.7
77.48558	1.2
79.05500	14.7
81.07063	29.0
83.04990	5.6
83.08624	50.1
85.06538	2.7
85.10178	6.7
91.05491	1.7
93.07051	19.8
93.68996	1.0
95.08617	29.0
96.68995	1.0
97.06527	17.4
97.10176	28.8
98.21468	2.1
99.08107	3.1
99.65601	1.2
101.06020	2.4
107.08598	18.7
109.10159	22.5
111.08073	11.1
111.11713	9.1
113.09649	2.2
115.07559	3.4
121.10150	22.5
123.11716	6.6
125.09628	11.1
125.13274	3.2
126.84465	1.1
127.11200	1.2
129.09146	2.8
135.11703	23.4
138.00253	1.2
139.11191	8.8
142.90271	1.1
143.10631	1.6
149.13243	10.1
151.14824	1.7
153.12727	7.7
153.91043	1.1
167.14284	3.0
168.00592	2.4
171.13693	1.3
191.17960	24.4
191.19597	2.2
209.19032	19.0
227.20021	2.0
251.34338	1.4
283.22662	11.3
286.04810	10.4
301.07056	10.6
301.23764	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45557	1.7
53.03925	1.9
55.01849	5.7
55.05517	59.4
55.86871	1.5
57.03443	31.3
57.07088	16.0
59.04974	2.3
62.98735	1.8
66.86093	1.8
67.05509	36.4
69.03404	3.4
69.07075	59.6
70.29139	6.6
71.04958	8.0
71.08649	8.9
73.06550	5.2
79.05508	28.0
81.07065	73.1
83.04961	8.4
83.08627	69.0
85.06501	6.0
85.10162	3.4
91.05483	14.2
93.07052	39.8
95.04939	6.9
95.08617	58.5
97.06539	29.3
97.10184	39.0
98.21435	2.5
98.30202	1.8
99.08102	3.6
101.05978	3.5
105.07043	20.2
107.08607	50.4
109.06481	2.8
109.09480	1.8
109.10170	25.5
111.08086	18.3
111.11701	2.8
115.07527	4.0
117.06979	5.1
119.08594	13.9
121.02834	2.8
121.10161	38.5
123.11670	6.6
125.09644	19.0
127.03880	2.7
127.07584	2.2
128.06247	2.3
129.06984	2.7
129.09059	5.6
130.57367	1.9
131.08585	19.6
133.10164	12.7
135.08038	2.2
135.11736	10.7
139.11188	9.3
145.10121	11.0
147.04323	1.9
147.11700	10.2
149.09575	2.0
149.13173	4.0
157.10060	4.2
159.11665	6.2
161.13235	3.6
163.11105	5.8
163.14842	64.5
165.11394	1.9
168.00548	15.6
171.11626	3.2
173.11943	2.7
173.13266	29.5
181.14488	3.2
181.15904	41.1
185.06041	2.0
185.13249	1.9
186.01582	9.6
187.14793	2.3
191.14270	9.8
197.13223	2.3
199.14896	2.6
199.16838	2.5
201.16379	2.5
209.15289	8.7
217.04846	3.9
219.17392	2.7
227.16331	7.2
245.17516	98.7
255.20937	6.2
283.19006	4.6
286.04742	80.5
287.05002	2.9
301.03561	4.9
301.07047	76.1
301.20007	100.0
302.07053	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	300.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03449	0.9
69.87434	5.0
79.05513	1.0
86.24055	0.8
89.03927	4.9
91.92234	0.8
107.04948	2.5
107.12969	0.9
109.02931	1.0
117.03378	7.4
120.08127	2.9
123.04477	1.2
124.03992	1.4
124.07560	1.1
129.06969	0.8
129.82964	0.9
135.04430	15.2
137.02400	1.4
138.02689	1.0
138.09100	1.9
145.02849	11.5
147.04382	1.3
163.03918	100.0
164.04254	1.2
172.02974	0.9
203.98872	0.9
208.05186	1.1
208.92549	0.9
242.64793	1.1
243.91460	1.0
286.04745	4.0
300.09888	0.9
301.06967	2.5
304.89774	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.0
55.01863	4.0
55.05516	50.7
57.03188	2.2
57.03442	28.2
57.07077	20.5
59.04999	2.8
66.69116	1.1
67.05508	34.2
69.03421	2.0
69.07073	52.9
71.04981	4.4
71.08649	7.8
71.14374	2.1
72.88763	1.2
73.06559	4.0
79.05068	2.0
79.05497	24.8
81.07063	62.6
83.04984	6.9
83.08626	62.5
85.06548	7.8
85.10169	3.6
87.08105	1.4
91.05475	9.3
93.07050	36.0
95.08614	51.4
97.06537	19.1
97.10177	35.6
99.08083	2.0
101.06001	4.8
105.06994	5.5
107.08601	40.3
109.06497	2.8
109.10165	14.5
111.08078	17.0
111.11721	2.6
112.01565	1.8
115.07550	5.9
117.06993	4.3
119.08575	4.4
121.02860	3.1
121.10149	32.8
123.11699	4.4
125.09610	14.5
129.09097	3.6
131.08592	13.4
133.10129	3.6
135.11748	6.8
139.11183	6.2
139.14781	3.5
143.10692	2.3
145.10162	3.7
147.08098	1.8
147.11685	2.8
149.13229	4.6
163.14836	59.7
168.00537	14.0
173.13261	28.4
181.15886	34.5
186.01674	7.5
191.14311	6.5
199.17012	1.6
209.15401	7.1
227.16360	6.1
244.69733	1.2
245.17505	100.0
256.93222	1.5
283.18896	9.5
285.03717	1.6
286.04721	61.1
287.05362	1.4
301.07108	56.1
301.10455	2.0
301.20071	87.3
314.82803	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.7
55.05516	44.8
57.03180	2.1
57.03442	21.2
57.07086	9.0
59.04984	1.8
61.27155	1.4
67.05508	46.8
69.05998	1.3
69.07076	24.3
70.77155	3.8
71.05000	16.1
71.08643	3.7
79.05503	7.5
81.07065	78.4
83.08629	62.2
84.64049	1.4
85.06555	6.6
85.10186	2.2
91.05494	5.7
93.07045	10.4
95.08617	100.0
97.06532	1.7
97.10178	36.5
99.08092	2.7
101.09653	3.4
105.07047	5.5
107.08610	11.4
109.10166	69.4
111.08093	7.7
111.11746	4.4
113.09676	3.0
115.11217	5.4
119.08587	4.9
121.10157	4.4
123.10832	2.2
123.11725	30.7
125.09665	4.0
133.10130	10.5
135.11772	2.0
137.13300	5.7
145.10078	1.8
147.11728	6.2
149.13272	4.5
151.11127	1.4
161.13255	2.6
168.33467	1.3
171.11940	1.5
179.17969	16.0
183.11646	1.6
189.16402	18.7
197.19049	5.9
201.16399	1.9
207.17453	7.0
211.11298	1.7
225.18538	4.9
243.19586	73.5
299.06061	1.7
299.22278	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	299.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.0
55.05515	45.6
56.23073	1.4
57.03185	1.7
57.03441	21.0
57.07089	9.1
59.05010	2.2
67.05509	48.9
67.05879	2.4
67.47536	1.1
69.07074	24.5
71.04996	18.6
71.08630	3.8
73.06503	1.2
79.05501	12.6
81.03448	1.3
81.07062	79.1
82.17113	1.2
83.04972	1.2
83.08624	56.8
85.06558	3.7
85.10196	2.8
91.05467	5.7
93.07059	10.8
95.08614	100.0
97.06552	1.6
97.10178	34.7
99.08102	4.1
101.09688	2.2
105.07054	5.4
107.08607	14.3
109.10163	61.7
111.04478	1.1
111.08117	4.8
111.11737	5.1
113.09696	2.4
115.11234	4.2
119.08624	6.1
121.10171	5.0
123.11721	29.5
125.09663	4.6
126.51852	1.2
131.08626	2.7
133.10124	9.9
135.11775	1.6
137.13255	6.0
141.61888	1.2
142.07733	1.2
143.08623	1.7
145.10190	3.2
147.11699	5.9
149.13301	4.9
158.41409	1.3
159.11691	2.0
161.13303	2.9
169.10207	1.4
171.11856	1.3
179.17967	16.6
189.16370	15.8
197.19052	7.1
201.16457	2.1
207.17534	5.2
225.18512	3.8
231.16870	1.4
243.19568	62.3
244.20129	1.2
260.09869	1.3
281.18988	2.0
287.38959	1.2
299.06094	3.6
299.09436	1.6
299.22327	50.7
300.29041	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32431	2.7
50.59305	2.7
55.01842	2.8
55.05519	50.5
57.03447	25.7
57.07070	8.9
62.05724	2.8
67.05511	78.6
69.07076	48.1
70.83903	2.8
71.04984	5.8
71.08641	5.5
78.84109	3.1
79.05510	11.4
81.06583	4.5
81.07063	90.2
83.08630	36.8
85.06544	8.8
91.05504	10.0
92.99230	3.8
93.07061	17.1
95.08616	100.0
97.06565	6.1
97.10182	34.6
99.00827	4.6
101.53289	3.2
105.07037	8.8
107.08623	14.6
109.09461	4.4
109.10168	56.5
111.08084	5.4
111.11733	7.8
119.08617	15.0
121.10141	8.2
123.11744	16.4
125.09647	9.1
131.08545	2.9
133.10149	16.1
137.09612	7.1
137.13242	3.4
143.08504	3.6
145.10146	9.1
147.11707	5.6
149.13326	3.6
151.11237	6.2
161.09662	5.7
161.13228	3.8
165.16431	3.2
189.16350	18.1
195.06609	5.0
207.17487	9.1
225.11243	3.2
299.06042	3.8
299.15265	2.9
299.16791	5.6
299.22351	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	299.2009
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
51.67199	3.5
54.17302	3.4
55.05507	15.2
56.96568	10.7
57.03424	5.3
57.07069	6.6
67.05511	25.6
69.03428	9.7
69.07059	19.9
69.58549	3.2
71.04974	6.6
71.57122	5.3
73.97041	4.0
76.82638	3.6
79.05495	16.0
81.03405	7.7
81.07058	43.7
83.08635	7.1
85.06532	5.3
91.05489	28.4
93.07056	28.2
95.04982	5.6
95.08614	42.6
97.06512	4.9
97.10195	5.6
105.07053	47.9
107.08604	25.0
109.06513	5.3
109.10146	25.3
111.04469	4.5
117.07031	8.8
119.08576	37.7
121.06499	8.3
121.10155	65.3
123.08064	7.5
123.11706	11.8
128.06203	4.5
129.07047	7.4
131.00204	5.2
131.08598	31.8
133.10150	42.2
135.08084	5.4
135.11739	10.6
137.02332	11.5
138.92485	3.4
139.07352	4.3
141.07022	6.8
142.07803	8.4
143.08549	28.6
144.09340	6.5
145.06494	7.2
145.10121	30.2
146.99513	4.1
147.11728	16.7
148.02028	3.5
149.01253	18.7
149.09631	6.2
155.08560	11.5
156.09364	7.5
157.10147	40.8
158.10924	5.5
159.08078	15.1
159.11681	32.4
161.09619	22.9
161.13321	4.5
167.02271	9.1
167.08539	4.0
168.09236	4.3
169.10143	20.3
170.10944	8.0
171.11700	21.2
173.09673	7.1
173.13295	20.2
175.14847	9.2
177.09113	14.5
179.03461	4.4
179.10738	4.7
182.11017	3.6
183.11671	14.2
184.12550	4.6
185.13268	39.1
187.11220	6.6
193.10226	5.7
195.08159	5.1
195.11687	4.3
197.13252	25.0
199.14842	44.2
200.15599	12.8
201.16350	9.9
201.64360	3.6
205.12296	4.8
210.10518	5.2
211.11174	21.1
211.14815	15.7
213.16394	4.5
215.14290	4.3
219.20862	3.7
225.12880	18.6
225.16360	8.2
239.14348	9.1
239.17958	9.8
243.13876	10.2
253.19572	20.9
263.18143	4.8
281.18979	26.8
293.05255	7.0
299.05649	11.1
299.14096	6.9
299.20053	100.0
299.23056	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	299.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	11.5
55.05513	39.7
57.03447	7.6
63.94238	5.7
67.05514	79.0
69.07076	31.1
79.05499	100.0
81.03415	11.9
81.07058	62.4
83.04984	15.5
83.08641	9.0
91.05486	82.8
93.07051	91.8
95.04991	27.7
95.08607	42.1
105.07053	61.9
107.04936	6.8
107.08603	27.5
109.06539	12.4
109.10151	14.2
114.79079	5.3
117.07029	15.0
119.08611	37.6
121.10159	8.4
123.08134	8.9
129.07004	28.6
131.08601	9.7
133.10133	13.2
137.02347	12.2
143.08588	12.4
145.10132	18.6
147.08061	7.7
147.11725	58.7
159.11687	9.2
161.09663	9.4
161.13278	14.2
165.95627	6.0
171.11687	50.0
189.12756	17.8
207.13756	39.0
281.17520	91.9
299.05902	12.5
299.16699	8.4
299.20026	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	16.5
53.03950	8.1
55.01876	9.5
55.05518	51.3
55.64718	1.8
57.03444	35.2
57.07077	3.2
59.04989	6.7
67.05174	2.4
67.05511	36.2
69.03429	6.1
69.07086	9.1
71.01353	7.1
71.05000	2.4
71.08627	1.9
79.05497	28.2
81.03429	13.7
81.07066	57.8
83.05003	8.0
83.08624	36.3
85.06535	4.5
91.05488	53.8
93.07053	46.5
95.04982	12.9
95.08613	14.1
97.02896	13.1
97.06524	10.0
97.10170	5.8
98.21488	5.5
99.00826	71.2
99.04452	2.5
99.08092	2.5
101.02310	1.7
103.05457	5.1
105.07038	46.3
107.04972	19.4
107.08608	18.1
109.02887	22.1
109.06493	9.9
109.10184	14.8
111.04440	5.9
111.08086	10.4
115.03932	9.6
115.05405	2.5
117.06998	8.7
118.35113	1.7
119.04928	1.9
119.08585	29.0
121.02861	3.6
121.06505	20.8
123.04449	4.5
123.08085	3.4
123.11686	7.9
127.03918	13.1
128.06215	5.1
129.07019	2.7
131.08560	4.7
133.06502	5.1
133.10144	94.5
135.08058	3.9
135.11699	3.4
137.05997	4.5
137.09622	3.6
139.03967	1.6
139.07549	9.9
141.05444	2.3
143.08598	12.8
145.06454	2.1
145.10147	2.4
146.07182	1.8
147.04387	1.8
147.08060	4.2
151.11197	40.9
153.07016	2.0
161.09637	57.6
163.03931	5.5
163.11154	2.3
165.09097	4.2
171.08066	12.1
173.13211	1.6
179.10690	37.6
180.93109	1.6
186.92960	4.8
189.09126	32.8
197.11728	16.5
207.10199	15.7
225.09016	2.3
225.11241	48.9
239.10966	1.6
242.95610	3.0
243.12344	8.1
299.14908	100.0
299.20258	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	299.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87427	3.8
55.01871	5.4
57.03436	4.9
58.42673	3.3
67.05489	5.9
69.03446	5.8
70.91419	8.2
71.05000	4.2
74.98730	3.2
81.03397	5.6
81.07034	5.4
84.08138	4.0
85.02917	16.1
91.05453	7.3
95.04988	23.0
97.02935	5.5
97.06544	4.9
103.03948	14.0
103.05481	4.8
105.07039	14.0
106.27893	3.5
107.04967	48.4
109.02888	5.1
109.10160	5.5
115.05472	3.9
117.06962	5.4
118.14800	3.4
119.04948	9.2
119.08614	5.0
121.02888	12.0
121.06528	9.9
123.04443	69.3
131.04942	16.3
133.06499	45.2
135.04410	6.7
137.02374	22.9
137.06021	6.0
141.07074	5.8
145.06447	23.8
147.04413	26.8
147.08057	7.2
149.06020	11.9
151.03912	10.1
153.07077	6.0
157.06497	29.5
159.04463	14.6
161.05984	100.0
163.03822	4.3
165.05525	19.8
169.06508	12.3
171.08009	9.3
173.05977	29.5
175.07556	8.6
177.05492	32.7
181.06490	5.9
185.05977	18.8
191.07002	10.5
197.05998	23.2
199.07506	18.3
201.05392	6.5
203.07051	13.6
215.07051	6.3
217.08537	4.9
221.08139	19.1
225.05479	13.6
227.07094	13.3
242.05606	3.9
243.06476	11.0
245.08063	9.6
253.04912	13.1
266.99890	4.7
271.06152	18.9
271.30392	4.0
281.04568	8.1
281.10297	5.9
283.03116	6.0
299.05850	39.6
299.09659	11.5
301.05945	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	299.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	17.9
56.96553	9.0
62.84383	7.6
67.97745	6.9
69.03419	8.6
70.53219	18.6
73.04762	13.9
74.49591	7.3
81.03416	15.4
85.02908	15.1
91.05483	11.2
95.04953	25.5
95.08614	9.3
97.02926	18.2
99.04461	14.6
105.07027	18.2
107.04969	85.2
109.02858	8.7
109.06595	11.8
111.04456	12.9
115.05458	10.8
117.06949	9.8
119.04985	22.7
121.02882	21.1
121.06520	14.9
123.04430	85.2
127.03920	11.1
131.04942	36.4
133.06512	75.3
135.04396	11.2
137.02325	66.4
139.03871	13.0
145.06485	24.8
147.04417	33.0
147.08051	15.9
149.05995	31.3
157.06493	26.1
159.04436	38.3
161.06000	67.8
165.05521	29.3
171.08055	15.3
173.05989	49.0
175.07538	25.6
177.05498	100.0
185.06065	17.9
189.05489	11.8
191.07025	10.7
197.05966	14.7
199.07501	46.8
203.07146	19.7
207.05072	15.5
211.55847	8.6
217.08585	17.6
221.08099	52.2
225.05707	9.6
227.07159	10.5
245.08109	25.8
252.97870	13.7
263.09152	10.1
266.99936	22.0
268.99631	10.3
276.07343	9.4
281.04480	9.7
281.10251	10.9
283.03055	17.0
285.02484	7.9
299.06100	97.5
299.09515	18.2
301.05911	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	299.0764
Annotation	Demethoxybergenin
Peak:m/z	Relative Intensity
53.03941	1.3
53.55649	0.3
55.01870	1.1
55.05500	1.0
57.03424	0.9
61.02927	0.5
63.72098	0.3
65.03946	1.9
67.05502	1.1
67.52426	0.2
68.99783	0.5
69.03436	3.9
69.07073	0.8
71.01353	0.6
71.04993	0.7
79.05511	1.5
81.03426	8.7
81.03913	0.4
81.07059	2.5
83.04998	0.5
83.08645	0.4
85.02919	4.9
91.05490	0.9
93.03420	1.4
93.07056	1.1
95.08606	1.0
97.02908	1.5
97.10149	0.4
99.04469	0.8
105.07026	1.3
107.01352	0.4
107.08603	0.8
109.02885	4.3
109.06503	0.4
109.10178	0.9
110.69248	0.3
111.04453	7.4
117.07001	0.4
119.08606	0.5
121.10146	0.7
127.03935	4.1
129.06984	0.4
133.10147	0.5
137.02357	100.0
137.03401	6.4
138.02667	0.7
143.08630	0.4
145.10103	0.7
155.03410	6.2
155.08595	0.4
157.10141	0.5
159.11641	0.4
161.13310	0.3
171.11732	0.7
185.13255	0.4
197.13223	0.3
199.14772	0.3
225.12817	0.3
225.16238	0.4
281.06537	2.8
281.17551	0.5
299.07886	0.5
299.13660	0.4
299.20032	1.8
299.23257	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0763
Annotation	Demethoxybergenin
Peak:m/z	Relative Intensity
51.02402	0.3
53.03739	0.3
53.03951	1.8
55.01867	0.8
57.03432	1.0
59.78668	0.3
61.02930	0.6
65.03944	1.7
69.03434	5.5
71.01359	0.9
71.04996	0.3
73.02938	0.5
81.03421	15.1
81.07060	0.3
85.02905	5.0
91.05476	0.5
93.03406	1.7
93.07051	0.3
96.72069	0.2
97.02886	2.1
99.04461	0.9
105.07030	0.4
107.01299	0.4
107.04961	0.6
109.02886	5.7
111.04454	5.4
115.05467	0.3
127.03930	4.0
137.02354	100.0
137.03415	7.6
138.02678	0.4
155.03406	4.7
155.04576	0.4
155.08597	0.3
166.32335	0.3
189.09138	0.4
281.06583	7.7
299.07721	0.5
299.16519	0.4
299.19861	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0761
Annotation	Demethoxybergenin
Peak:m/z	Relative Intensity
51.02370	0.2
53.03946	1.1
55.01874	0.8
55.05509	0.3
56.77734	0.2
57.03434	0.8
59.76019	0.2
61.02919	0.3
65.03947	2.1
67.05509	0.3
68.89918	0.3
68.99782	0.3
69.03435	4.1
69.07069	0.2
70.74274	0.4
70.74612	0.3
71.01339	0.7
71.05009	0.2
81.03422	6.7
81.07053	0.4
83.04990	0.4
85.02911	5.5
86.11824	0.2
93.03411	2.2
97.02903	1.4
97.06543	0.2
99.04446	0.8
100.58031	0.2
105.07029	0.4
107.01321	0.7
107.08608	0.2
109.02902	2.6
109.10184	0.2
111.04456	6.3
119.08595	0.3
127.03934	3.0
133.10092	0.3
137.02351	100.0
137.03403	6.6
138.02724	1.0
145.10051	0.2
149.02357	0.5
155.03407	6.1
193.05020	0.3
207.08446	0.2
219.15109	0.2
220.86995	0.2
237.07671	0.6
253.09747	0.2
271.14529	0.3
281.06473	1.8
299.05521	0.9
299.08109	0.5
299.13483	0.2
299.20087	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44585	0.7
53.35192	0.7
56.71946	0.6
56.96566	5.4
59.14213	0.7
67.05508	0.8
69.03432	1.5
69.77570	2.4
69.77985	0.9
74.04811	0.6
81.03413	0.8
84.04536	0.7
85.02921	1.8
87.04494	0.8
97.02897	2.1
98.97604	1.8
101.00919	1.7
106.53108	0.6
107.04967	1.8
111.71708	0.7
113.00893	0.7
116.98651	1.2
119.01914	4.1
124.03948	3.4
127.03927	1.0
128.65309	0.7
131.01933	3.0
131.04922	1.4
134.06119	0.6
136.06224	0.9
137.02190	8.8
137.06595	0.7
143.01935	0.9
145.03500	6.6
149.06105	0.9
155.01949	1.9
156.02673	0.7
157.03490	1.4
163.04517	1.2
169.03502	1.0
170.08148	1.1
171.05051	1.0
171.06595	0.9
173.03001	6.7
175.08199	0.9
175.50835	0.7
181.03534	1.0
185.04268	4.1
187.04582	1.4
189.00955	0.8
189.03987	1.9
189.06120	1.8
191.03960	1.2
199.04617	1.2
203.04060	1.6
204.05559	1.2
205.01764	1.0
205.03563	1.9
207.05083	5.8
211.04582	1.5
213.06097	1.7
215.04062	1.3
217.03572	2.1
219.01894	1.1
221.03188	1.1
221.05141	4.8
223.04619	3.3
225.06126	1.0
227.02423	0.8
235.04582	2.4
237.00771	1.3
237.02899	1.2
239.04079	1.6
241.05722	1.3
253.03792	2.0
253.06053	1.3
266.99957	1.1
271.06775	9.6
273.08237	0.8
276.07260	4.5
276.99106	0.7
277.02240	1.0
283.03134	1.2
289.07025	0.7
294.08246	1.1
299.07394	100.0
300.07385	1.1
317.07632	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1149
Annotation	Psicofuranine
Peak:m/z	Relative Intensity
53.97823	0.3
55.05498	1.1
56.96575	1.5
57.03423	1.2
59.05000	0.7
61.02921	0.4
69.03425	0.7
70.10545	1.1
71.04996	0.4
73.02919	0.4
79.05474	0.4
81.03439	0.3
83.01340	0.3
83.04956	0.7
84.08121	0.3
85.02912	2.5
91.05431	0.3
94.04068	0.4
95.04999	0.5
97.02871	0.5
98.21366	0.4
98.97601	0.6
101.06026	6.5
103.03921	0.5
105.03390	0.4
109.05177	0.4
110.53122	0.3
116.59615	0.3
116.98590	0.5
118.03690	0.3
119.01935	0.8
119.03554	0.9
119.04967	0.4
119.07092	2.1
123.04461	0.4
124.03941	0.4
125.41459	0.4
129.06563	0.3
131.05064	0.3
133.02863	0.5
134.06058	0.9
135.04387	0.5
136.06198	100.0
137.02357	0.3
137.04565	0.5
137.06581	0.5
145.02853	0.5
146.03261	0.4
147.04457	1.0
149.04582	0.8
152.05775	0.6
152.07092	2.0
153.04109	0.3
163.03909	1.3
164.04297	0.9
166.07260	17.7
167.05685	1.3
169.09724	0.8
172.94313	0.4
178.05792	0.8
190.95445	0.5
202.05843	0.4
239.53882	0.3
240.02701	0.8
257.05078	0.6
258.03665	0.6
266.08893	1.4
274.06210	0.3
275.06244	0.4
278.90656	0.3
279.76169	0.3
280.13019	0.4
289.33441	0.3
298.11523	12.0
299.06516	0.6
300.06284	0.9
317.87793	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0971
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
56.82767	0.1
61.01158	4.7
65.03942	0.2
69.03423	0.5
71.55262	0.1
71.55697	0.2
74.15519	0.1
75.02715	2.4
85.02894	0.4
88.07627	0.1
88.08628	0.1
91.05432	0.2
93.07069	0.1
94.04051	0.4
97.02908	1.5
97.38715	0.2
103.02180	0.4
103.03874	0.1
107.04937	0.2
108.04433	0.1
115.03893	0.2
118.06573	0.3
119.03529	0.8
120.04481	0.8
120.54980	0.1
123.04404	0.2
125.16797	0.1
129.65123	0.1
130.06543	0.2
132.08098	0.2
136.06197	100.0
137.02345	0.8
137.04607	0.7
137.05624	0.1
137.06602	0.3
145.03183	1.7
146.05988	0.7
160.07634	0.6
163.04253	1.3
169.06801	0.2
172.07626	0.3
179.52255	0.1
185.46547	0.1
190.30687	0.1
216.11104	0.2
238.10838	0.2
270.07678	0.3
280.11868	0.4
298.09808	3.1
298.12982	0.2
299.06070	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51918	1.2
55.05505	3.7
65.03951	7.0
67.05511	2.7
69.27860	13.7
69.28219	2.3
70.58685	1.2
82.99844	1.9
83.04981	8.9
93.03413	10.3
95.04969	13.2
101.00884	25.2
106.41518	1.4
111.04453	5.1
112.04584	1.7
115.02458	2.6
119.01931	90.5
121.02004	2.4
121.02882	41.3
125.04514	1.7
131.01923	2.7
133.03476	3.4
136.06175	1.4
137.02963	26.1
139.03902	4.9
141.04018	2.3
142.03481	1.8
145.03421	1.8
153.04028	1.8
155.01970	2.5
157.03523	3.5
169.03479	4.6
171.05052	4.0
172.82928	1.5
173.02968	2.5
177.00952	1.9
193.03566	1.8
195.05090	6.6
197.02928	14.8
203.00345	1.6
203.01810	7.9
209.03004	1.7
211.04544	13.8
213.02570	2.1
213.06102	2.6
215.04051	10.2
221.02979	26.8
226.01903	2.0
229.05504	3.2
233.01471	4.0
239.03963	12.1
251.02571	11.0
257.05081	58.0
275.06149	100.0
275.95712	1.5
276.55212	1.6
289.07532	1.9
293.03488	13.8
298.07938	2.3
299.07562	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	297.9915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02497	1.2
55.05513	1.4
56.96571	15.7
58.99858	1.3
69.03458	2.1
70.17295	3.7
71.95263	3.0
76.39540	1.2
83.06107	1.8
85.02914	3.7
93.03410	1.2
95.04974	1.9
97.01376	2.5
97.02879	2.0
98.97591	100.0
101.00905	9.0
113.00850	1.3
113.02370	3.3
115.02436	13.8
116.98634	60.4
119.01927	26.7
121.02858	3.3
127.03894	1.9
129.06602	3.0
130.93300	4.0
131.01884	1.8
133.03479	8.6
134.06044	5.3
134.99663	20.3
136.06177	6.9
137.02950	5.2
143.01910	4.7
145.03433	2.4
147.04408	2.0
148.80925	1.3
151.08797	1.6
152.07079	12.2
153.00670	1.8
157.03502	5.3
158.06635	4.0
161.02951	9.2
163.03880	3.9
166.07249	1.8
169.03532	1.2
169.09726	5.2
170.06592	1.8
171.01392	3.7
172.94376	10.3
175.04478	1.9
176.07643	2.9
177.00974	2.1
177.42352	1.3
185.02965	3.3
188.07648	7.2
189.02429	3.9
190.95412	10.6
195.01453	1.5
197.02965	2.5
203.04054	1.5
207.03511	2.1
208.96379	4.2
211.04515	1.8
213.02423	6.8
214.95436	2.5
215.00427	3.6
219.01932	2.2
221.02921	3.6
230.94923	1.2
232.96431	6.9
233.01440	37.0
238.05563	3.5
239.04005	1.9
248.95898	2.4
250.97466	3.5
251.02521	68.8
256.03250	2.5
256.96445	10.3
257.05151	5.4
261.03186	8.3
262.12085	1.4
266.05206	2.5
266.97101	1.6
274.97525	84.7
275.01990	12.4
275.05722	7.8
280.12817	2.5
284.06107	1.3
292.98553	54.0
293.03534	85.5
297.98969	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2063
Annotation	10-Deoxymethynolide
Peak:m/z	Relative Intensity
50.55442	1.3
51.15878	1.1
53.07623	1.2
54.06365	1.1
55.01869	1.8
55.05519	13.7
57.07065	3.8
66.72544	1.2
67.01865	2.7
67.05515	6.4
68.99797	15.2
69.07075	16.3
70.48933	3.7
71.08641	2.4
72.14259	1.3
79.05487	6.2
81.03382	1.5
81.07063	10.0
83.04989	3.6
83.08636	6.8
88.35820	1.2
91.05486	1.8
93.07059	8.7
93.07533	1.5
95.05024	1.5
95.08609	7.8
97.06535	5.5
97.10175	5.6
107.08626	6.6
109.10175	2.5
111.00822	29.7
111.04420	6.4
111.08067	2.5
111.11705	1.8
117.07022	1.4
121.10139	5.8
123.11683	1.5
126.03101	1.9
127.03940	8.7
135.08018	1.6
135.11699	3.9
139.03909	15.6
139.07486	1.9
139.11192	2.8
149.06027	1.8
149.09676	1.8
149.13234	1.9
153.09145	1.4
154.48431	1.4
167.07014	3.6
167.10764	1.5
171.10161	1.9
175.58394	1.3
177.16447	2.2
181.08658	2.4
181.12262	1.9
185.11870	1.5
195.10199	4.0
201.16429	2.7
209.11798	8.2
219.17447	2.3
223.13292	6.9
237.14754	2.6
237.18494	5.8
261.18634	1.7
267.37598	1.6
279.19580	100.0
280.19931	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2061
Annotation	10-Deoxymethynolide
Peak:m/z	Relative Intensity
50.68847	0.7
52.35315	0.7
53.03936	1.4
55.01854	2.9
55.05265	1.3
55.05515	18.8
57.03440	1.1
57.07082	7.0
57.45635	0.8
63.57860	0.8
63.58204	0.7
67.01860	2.8
67.05510	8.6
68.99797	16.6
69.03425	1.2
69.07075	24.0
69.82987	4.3
71.05015	0.8
71.08620	2.3
78.27322	0.8
79.03314	0.7
79.05499	6.3
81.03413	2.5
81.07069	9.6
83.04987	4.6
83.08628	13.3
85.02905	0.9
85.06549	1.6
85.10172	1.7
91.05487	2.8
93.07060	8.0
95.04970	0.9
95.08613	9.4
97.02885	2.1
97.06555	6.0
97.10154	8.3
98.20748	1.1
99.04462	1.1
99.08096	1.6
105.07007	1.6
107.04943	1.1
107.08605	6.4
109.06524	1.6
109.10167	6.1
111.00813	40.1
111.04459	6.9
111.08085	3.5
111.11742	2.4
119.08535	1.7
121.06487	1.9
121.10152	9.9
123.04391	0.8
123.08064	1.7
123.11731	1.2
125.05975	3.4
125.09642	2.9
126.03143	1.9
127.03924	11.0
131.08548	0.8
133.06483	0.8
133.10133	1.6
135.08073	3.7
135.11713	6.1
137.09546	1.4
139.03912	21.9
139.07550	2.7
139.11191	1.3
145.10179	1.8
149.05994	1.4
149.09619	2.1
149.13261	2.2
151.07520	0.9
153.05489	1.2
153.09087	1.5
153.12827	1.4
159.11713	1.1
163.07526	1.0
163.11185	2.6
163.14780	0.8
167.07002	2.1
167.10721	2.7
171.10168	1.9
177.12686	1.1
177.16457	4.0
181.08586	3.1
181.12189	1.5
185.11745	2.1
191.17912	2.1
195.10188	5.2
195.13809	1.3
199.13309	1.4
201.16464	1.9
207.74980	0.8
209.11778	8.5
215.14200	0.8
217.80661	0.7
219.17470	3.6
223.13280	10.9
225.45213	0.7
233.19016	1.3
237.14952	5.1
237.18494	9.9
247.64879	0.7
255.19569	3.0
261.18484	1.4
279.19565	100.0
297.17413	1.4
297.20615	16.9
299.06091	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1698
Annotation	7-O-Methylpseudomajucin
Peak:m/z	Relative Intensity
55.01861	2.7
55.05512	10.2
57.07071	2.1
67.01866	1.8
67.05512	5.2
68.99795	9.2
69.06724	1.3
69.07072	18.7
70.96964	1.4
71.04958	0.7
71.08622	1.1
79.05505	4.4
81.07060	9.1
83.04976	3.2
83.08620	9.1
89.12016	0.8
91.05473	0.9
93.07049	7.6
95.08628	6.4
97.02894	1.6
97.06527	4.7
97.10164	4.5
105.07045	1.8
107.04968	0.9
107.08595	7.3
109.06509	0.7
109.10142	2.5
111.00811	29.2
111.04459	5.1
111.08074	3.0
111.11683	0.7
113.05925	0.7
117.07012	0.8
119.08572	0.8
121.06477	0.8
121.10141	5.3
123.04496	0.7
123.08038	1.4
123.11687	1.4
125.06001	2.1
125.09643	2.2
126.03114	1.3
127.03908	6.4
131.08591	1.8
133.10078	1.2
135.08084	1.1
135.11685	1.5
139.03920	15.8
139.07561	1.9
147.11662	1.4
149.06058	0.7
149.09604	1.8
149.13268	4.0
153.09155	1.7
163.07532	0.8
163.11136	0.8
163.14848	3.6
167.07051	1.3
167.10663	0.8
167.14330	1.1
171.10173	1.4
173.13261	1.4
181.08574	2.2
181.15860	0.8
185.11728	0.7
191.14342	2.8
195.10141	2.0
195.11823	0.7
205.15913	1.2
209.11766	2.0
209.15343	6.6
227.16399	2.9
237.14807	1.7
251.16440	37.6
268.41623	0.7
279.15927	100.0
280.16260	0.9
312.10358	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0758
Annotation	Aristolic acid
Peak:m/z	Relative Intensity
55.01873	2.6
55.05507	1.4
58.65562	0.7
62.97549	0.7
67.05505	1.5
68.99799	1.4
69.03438	1.5
69.07047	0.9
69.33973	6.8
79.05468	1.0
81.03410	1.3
81.07057	1.7
83.04978	1.1
91.05459	1.3
93.07036	1.4
93.29652	0.7
95.08628	0.9
95.32452	0.8
97.10156	2.3
98.21530	1.6
103.05498	1.2
104.84443	0.7
105.07035	1.2
107.08615	1.5
108.08141	0.7
109.02814	0.8
109.06529	0.8
109.10193	1.0
112.27405	0.7
115.05473	0.9
117.07012	0.8
119.10459	0.7
121.02868	9.3
121.10175	1.3
131.04942	8.3
132.05750	1.1
133.10159	0.9
141.07018	1.4
143.08545	0.9
145.10077	1.1
147.04430	1.1
147.09235	0.7
150.81618	0.7
153.06943	0.7
155.08546	2.4
159.04436	7.0
160.05215	23.4
163.08676	0.8
165.06987	4.6
167.08580	1.7
170.22304	0.8
175.08795	1.7
177.07005	2.8
178.07780	12.0
179.08575	17.8
179.10117	1.3
181.06535	3.9
182.07324	2.7
183.08075	19.1
189.07001	24.1
194.07196	0.8
195.08099	3.2
195.11957	0.8
197.06044	2.8
197.09613	1.7
205.06519	25.8
206.07317	1.4
207.08070	74.9
208.08578	0.9
209.06065	1.5
210.06781	2.0
211.07457	1.0
217.06502	5.4
218.07231	3.6
221.06079	5.8
223.07567	5.2
225.09157	3.4
233.05984	20.1
234.06737	7.4
235.07555	69.0
236.08154	1.8
239.06960	0.9
241.08725	1.2
245.07074	3.6
251.07057	7.0
252.07805	1.9
253.08614	100.0
261.05527	2.7
264.04700	0.8
265.08551	1.2
266.09192	0.9
279.06543	55.0
280.06924	0.9
297.07678	9.6
297.10974	1.5
297.14410	1.0
297.18332	1.5
299.06131	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1906
Annotation	Embelin
Peak:m/z	Relative Intensity
53.03940	1.1
55.01868	1.0
55.05516	14.0
57.03431	0.8
57.07084	1.8
59.05032	0.4
63.16454	0.3
63.46403	0.3
65.03944	0.8
67.01856	0.5
67.05510	21.3
68.99447	0.4
68.99798	5.3
69.03432	0.9
69.06728	0.7
69.07076	11.0
69.58402	2.0
71.04996	1.6
71.08614	0.5
79.05495	4.3
81.03436	2.3
81.07062	23.9
83.04983	1.3
83.08627	10.4
85.02903	0.8
85.06544	2.1
87.00856	2.0
91.05483	3.5
93.07058	6.3
95.04961	1.4
95.08614	34.7
97.02890	0.5
97.06544	3.4
97.10174	6.5
99.08106	0.8
105.07050	2.9
107.04971	0.5
107.08609	3.6
109.06528	0.6
109.10167	18.2
111.00812	6.4
111.04440	1.2
111.08095	2.6
111.11729	1.0
115.07567	0.5
117.07007	0.5
119.08583	4.5
121.10149	1.9
123.04471	0.5
123.08079	1.5
123.11711	3.2
125.05965	0.5
125.09618	1.1
126.03164	0.9
127.03922	2.2
129.09099	0.6
131.08522	0.5
133.10135	4.4
135.08086	0.5
135.11699	1.2
137.05957	0.4
137.09625	2.2
139.03879	3.1
141.09111	0.7
143.08543	0.5
147.11700	2.3
149.13257	1.4
151.11230	1.0
151.14830	2.0
153.09160	0.6
154.87947	0.3
163.14964	0.4
165.09129	0.6
165.16374	0.7
167.07033	0.3
171.10258	0.4
173.13301	0.5
175.14850	9.5
178.96555	0.3
181.08653	0.3
193.15906	6.5
195.10155	0.6
209.11617	0.3
211.16937	3.2
218.36215	0.3
229.18048	2.2
229.37294	0.3
235.13335	0.4
235.17133	0.5
245.26976	0.4
253.17990	3.5
265.17783	0.4
277.18008	1.0
295.19058	100.0
296.19394	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1906
Annotation	Embelin
Peak:m/z	Relative Intensity
51.30585	0.2
53.03942	0.7
53.66475	0.2
55.01882	1.2
55.05514	14.7
57.03442	1.0
57.07076	1.3
59.04991	0.2
65.03941	0.7
67.01868	0.3
67.05508	24.7
67.13091	0.2
68.73143	0.2
68.99795	5.1
69.03436	0.7
69.07071	11.1
69.22391	1.2
69.22822	0.7
71.01357	0.5
71.04994	1.8
71.08639	0.4
79.05495	5.4
80.48527	0.2
81.03428	1.8
81.07062	24.7
83.04990	1.5
83.08625	12.4
85.02911	1.0
85.06550	2.0
87.00830	2.0
91.05485	3.6
93.07050	6.2
95.04977	1.5
95.08611	38.4
96.08927	0.3
97.02887	0.4
97.06532	3.4
97.10173	7.1
98.21490	0.5
99.04453	0.3
99.08079	1.1
99.54183	0.2
105.07034	2.6
107.04908	0.4
107.08601	3.6
109.06547	1.3
109.10160	18.9
111.00805	7.0
111.01547	0.4
111.04472	1.1
111.08081	2.7
111.11725	1.1
113.02373	0.3
113.06036	0.2
113.09689	0.2
115.03973	0.3
115.07588	0.6
117.07002	0.6
119.08585	3.9
121.06497	0.2
121.10139	2.1
123.04443	0.7
123.08083	1.9
123.11716	3.6
125.05996	0.8
125.09654	1.0
126.03107	1.1
127.03919	2.7
127.07577	0.3
127.11200	0.2
129.06982	0.4
129.09097	0.6
131.08582	0.7
133.06416	0.2
133.10132	4.8
135.08047	0.5
135.11702	1.7
137.05986	0.3
137.09618	2.0
138.41794	0.2
139.03905	4.1
139.07588	0.5
139.11137	0.4
141.05524	0.2
141.09094	0.4
143.08592	0.2
147.08083	0.4
147.11714	2.9
149.09715	0.3
149.13258	1.6
151.07549	0.5
151.11192	1.2
151.14845	1.5
153.05478	0.4
153.09143	0.3
155.10698	0.5
157.10063	0.3
159.11760	0.3
161.09604	0.3
163.11322	0.2
165.09077	0.5
165.12723	0.3
165.16341	0.4
167.07089	0.4
168.13870	0.2
173.13260	0.4
175.14832	11.6
179.10706	0.4
181.08644	0.4
182.15453	0.2
189.09163	0.3
193.15891	6.5
193.17651	0.4
195.10170	0.5
196.13310	0.3
199.14885	0.2
207.10147	0.6
209.11723	0.4
210.14937	0.3
211.16922	3.5
217.15723	0.3
221.11674	0.2
227.20094	0.2
229.18004	1.9
235.16888	0.4
249.18723	0.2
253.18027	4.1
265.18036	0.4
277.17996	1.2
277.21716	0.2
295.19043	100.0
296.19373	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1905
Annotation	Embelin
Peak:m/z	Relative Intensity
53.03947	0.5
55.05262	0.7
55.05511	9.4
55.34583	0.3
57.07066	1.7
59.04992	0.4
67.05507	13.9
68.99786	1.5
69.07072	12.2
69.75188	0.4
71.04644	0.5
71.04996	5.2
71.08611	1.3
71.30342	0.7
79.05495	3.0
81.03411	1.1
81.07060	22.5
83.08624	19.3
85.02914	1.7
85.06567	1.9
87.00822	1.3
87.08100	1.1
91.05484	1.8
93.07050	5.4
94.04169	0.4
95.04962	0.9
95.08611	35.8
97.06557	1.9
97.10171	4.3
99.08094	1.6
101.09696	1.9
105.07030	1.9
107.08624	2.3
109.10161	22.9
111.00813	1.9
111.04490	0.5
111.08071	2.9
113.09637	0.5
119.08566	2.8
121.10159	0.8
122.03657	0.7
123.04414	0.4
123.08054	0.5
123.11716	5.2
126.03099	0.5
127.03909	2.7
133.10146	2.7
135.11696	4.2
137.05980	7.8
137.09578	0.5
138.06322	7.1
139.03947	0.9
147.11665	1.7
149.13268	0.8
151.14879	0.5
165.16400	7.7
175.14830	6.4
183.17421	1.5
193.15802	0.9
211.16917	0.9
217.15593	0.4
218.17548	0.4
227.19997	0.6
229.18004	39.5
230.18451	0.6
253.18022	7.1
268.68796	0.4
295.19046	100.0
296.19467	1.9
308.62347	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02964	0.2
57.04549	0.7
60.58117	0.2
61.31934	0.2
65.03926	0.3
69.03423	0.3
69.07063	0.3
70.06595	0.3
71.08020	0.3
71.25848	0.2
73.02913	0.2
75.88062	0.2
81.03424	0.2
83.08612	0.3
84.04504	1.0
85.02895	0.5
86.09691	0.3
91.05433	0.4
93.03423	0.2
94.04057	2.6
95.04971	0.4
96.05607	0.5
97.02798	0.3
103.05467	0.3
105.07005	0.4
107.04958	1.3
111.04453	1.5
112.05100	0.6
115.03905	0.3
115.05432	0.4
119.03546	0.5
119.04942	0.7
120.05262	0.4
120.08064	0.2
123.04411	0.3
123.06672	2.1
129.07030	0.3
130.04999	0.4
133.05121	0.5
133.06488	0.4
135.04433	0.8
135.05403	0.5
139.03899	4.3
147.04408	1.6
148.04816	1.8
148.05887	0.3
149.05949	0.5
150.07755	100.0
151.08095	0.5
157.06433	0.2
159.04414	0.2
161.05980	0.8
163.03911	3.0
166.08604	0.3
170.86627	0.2
173.05957	0.3
175.03801	0.2
177.05498	0.3
179.03394	0.9
179.91766	0.2
181.04904	1.6
185.05917	0.4
189.05473	0.7
191.03436	0.4
193.04968	0.8
203.07211	0.3
205.05037	0.4
213.05409	0.5
217.04967	0.5
220.83052	0.2
221.06084	0.4
231.06557	0.6
235.06024	0.4
239.19891	0.2
247.05939	0.2
249.05482	0.7
259.06076	0.8
267.06671	0.2
277.07141	0.4
295.05978	0.7
295.08548	0.3
295.11343	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	294.2066
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
51.02387	0.3
57.07069	1.0
62.05462	0.3
62.86678	0.3
63.61141	0.2
67.05510	0.4
69.96786	1.3
71.08636	1.2
79.05508	0.6
81.07042	0.9
88.07610	0.4
91.05488	0.7
94.04209	2.8
97.84048	0.3
98.21444	0.5
107.04935	0.3
109.06546	0.5
122.03663	8.6
123.11734	0.4
137.05992	100.0
138.06339	0.6
141.12767	2.8
146.59273	0.3
158.15408	1.7
260.35437	0.3
294.20837	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0813
Annotation	Vittarilide B
Peak:m/z	Relative Intensity
51.98519	0.5
55.01866	1.4
57.03447	3.0
61.02925	1.1
69.03396	0.7
70.19254	1.6
73.02913	4.2
79.05514	0.5
85.02891	2.5
89.03918	2.2
91.05458	0.8
97.02912	0.9
98.21408	0.7
101.02382	1.2
103.03954	8.9
103.05472	1.8
107.04946	1.2
115.03944	0.6
115.05463	1.9
117.03390	3.1
119.04956	0.8
123.04448	1.1
129.07024	1.5
131.04938	2.4
133.06459	0.8
135.04420	21.9
137.02350	1.1
139.03885	1.0
141.06927	0.6
143.04910	3.2
145.02852	2.5
147.04399	8.3
149.05959	1.0
150.07767	1.1
155.04840	0.7
157.06523	1.1
159.04417	1.3
161.05988	6.0
162.11690	0.5
163.03912	100.0
164.04456	0.7
165.05476	1.2
168.79150	0.5
169.06297	0.6
171.04396	1.3
173.06015	1.6
175.03915	5.9
175.07591	0.7
177.05504	4.8
179.03391	2.3
185.06018	2.2
187.03841	1.2
189.05453	6.3
191.03387	1.0
193.04973	43.7
195.04646	0.7
201.05450	1.4
201.37300	0.6
203.07025	1.5
205.04913	3.6
207.06601	0.8
213.05440	3.1
215.07129	0.9
217.04941	4.9
219.06502	0.6
231.06543	3.2
235.06075	3.3
249.07623	1.0
259.06049	2.6
277.07108	1.5
295.08176	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31851	0.3
65.03919	0.4
69.82008	0.8
69.82423	0.8
83.96790	0.3
84.04488	0.5
84.08126	0.3
91.05489	11.4
119.04955	27.7
130.04996	1.8
138.88931	0.3
146.06033	0.6
147.04422	100.0
148.04785	0.7
153.07306	0.3
187.67593	0.3
204.40866	0.3
294.10141	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01820	0.2
62.79266	0.2
65.03939	0.6
67.18923	0.2
69.03416	0.3
69.07070	0.3
70.06602	0.3
70.08998	0.8
73.31377	0.2
83.80836	0.3
84.04496	0.9
91.05487	9.3
107.04989	0.3
119.04954	25.6
119.96722	0.2
120.08109	0.3
130.05022	1.9
133.60640	0.3
147.04417	100.0
148.04759	0.4
150.07764	2.0
150.12578	0.3
178.04994	0.3
216.06203	0.2
294.09689	0.5
295.06290	0.3
316.33319	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2839
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03939	4.6
55.01869	3.9
55.05514	62.3
56.96560	2.6
57.03438	5.9
57.07081	25.2
59.05006	14.9
60.52414	2.3
65.53756	2.1
67.05508	35.6
69.07072	100.0
69.31245	18.9
71.04990	5.5
71.08631	11.7
73.06596	3.1
79.05497	21.8
81.07061	72.1
82.49681	1.9
83.04974	2.6
83.08627	58.8
83.83097	2.0
85.06554	6.8
85.10195	3.7
91.05491	12.6
93.07047	35.9
95.04976	4.9
95.08611	70.5
96.54213	2.0
97.06545	11.7
97.10178	30.0
98.20833	3.5
98.97601	2.9
98.98457	2.5
99.08067	3.5
105.07012	9.7
107.08608	37.7
109.06540	3.6
109.10166	50.4
111.08096	8.7
111.11725	20.0
115.05496	2.3
117.07009	4.9
119.08603	5.5
121.10149	25.3
123.08076	4.6
123.11716	30.0
125.13297	2.7
127.03941	9.2
130.72742	2.0
131.08580	8.9
133.10153	5.1
135.08046	4.9
135.11719	14.9
137.13246	16.0
139.11183	2.5
141.12737	2.2
145.10110	4.0
149.01244	3.7
149.09731	4.2
149.13271	21.4
151.14830	6.7
153.12753	2.1
157.10176	3.3
159.11748	4.8
163.14830	13.0
165.16383	3.9
167.14331	6.2
173.13266	3.6
177.12810	2.3
177.16389	4.1
179.18018	2.9
183.11714	2.9
191.17967	5.0
201.12776	3.8
203.07184	2.4
205.19531	5.7
207.21144	3.5
219.21216	4.0
221.08157	3.2
223.20515	3.8
265.18140	2.2
273.35382	2.0
275.20041	7.1
275.27335	14.5
293.17636	6.2
293.21069	8.6
293.28366	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2476
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03943	1.7
55.01884	1.2
55.05518	9.2
57.07079	4.5
65.03936	3.9
66.04744	1.0
66.56335	0.9
67.05508	92.1
69.03465	0.9
69.07078	9.2
69.54340	7.3
72.44510	1.0
76.95824	0.9
79.05498	17.2
81.07063	100.0
83.04961	2.2
83.08624	7.9
85.06551	3.5
85.10190	1.2
91.05501	7.4
91.05978	1.4
92.70311	1.0
93.07053	18.9
95.04980	3.0
95.08613	83.6
97.06537	3.0
97.10174	3.4
99.08109	1.3
101.06033	0.9
102.25695	0.9
103.49551	1.0
105.07030	6.4
107.08611	11.3
109.10165	33.9
111.08079	1.4
117.07033	2.1
119.08582	5.5
121.06537	1.3
121.10152	12.3
123.08059	1.9
123.11720	22.0
125.09649	1.3
131.08566	6.7
133.10164	4.5
135.11717	7.6
137.09634	3.0
137.13246	10.8
145.10091	5.4
147.11720	3.6
149.09642	4.2
149.13284	3.7
151.11209	2.8
151.14833	3.7
153.05461	1.6
159.11748	5.7
161.13271	2.7
163.11171	5.4
163.14867	2.9
165.12741	2.2
165.16452	1.9
173.13322	5.2
177.12773	3.3
177.16373	2.6
179.14330	2.0
187.14868	4.1
191.14291	2.1
195.13828	1.4
196.24295	0.9
209.11803	1.7
209.15442	1.9
221.08090	2.0
223.16891	1.3
233.11554	1.1
237.11053	4.9
237.18622	1.4
243.21098	7.3
261.22168	9.1
275.20212	2.6
293.21472	1.0
293.24686	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	293.2475
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03955	1.7
55.05516	8.5
57.07077	3.0
65.03948	2.8
67.05508	87.5
69.07070	9.4
69.76559	1.3
69.76970	2.4
71.08595	0.8
73.06553	0.9
77.13292	0.7
79.05499	12.9
81.07061	100.0
83.04993	1.7
83.08630	4.6
84.32955	0.6
84.64157	0.8
85.06538	1.1
91.05479	6.0
93.07050	11.8
94.03550	0.7
95.05025	0.9
95.08611	71.9
97.06548	2.5
97.10172	3.0
98.20821	1.0
99.08100	1.3
101.05985	0.8
105.07044	4.4
105.76470	0.6
107.08604	8.1
109.06564	1.4
109.10162	40.2
111.04431	0.9
117.07053	1.2
119.08584	3.5
121.10139	5.6
123.08067	1.7
123.11720	24.8
125.09648	1.1
131.08594	5.4
133.10149	3.7
135.08049	0.9
135.11691	6.3
137.09627	1.6
137.13248	10.5
145.10146	2.9
147.11720	3.2
149.09622	1.7
149.13260	4.1
151.11197	1.6
151.14854	3.0
153.05457	0.7
159.11708	3.9
161.13261	2.2
163.11226	2.3
163.14832	2.2
165.12764	1.3
165.16447	1.4
173.13319	3.7
177.12767	2.5
177.16408	1.3
179.14319	0.9
180.26129	0.7
181.05003	0.8
181.12207	1.0
184.67676	0.8
187.14841	3.0
191.10672	0.9
191.14403	1.6
201.16287	0.9
205.15887	1.4
209.11855	1.3
219.21149	0.7
223.16931	1.6
237.11198	2.4
237.18510	1.5
243.21040	4.9
261.22192	7.1
293.24765	21.8
314.46109	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2113
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03941	5.4
55.01870	12.6
55.05259	3.3
55.05516	50.5
57.03434	6.2
57.07074	13.7
59.04983	2.7
65.03934	3.1
66.42546	2.0
67.05508	51.1
69.03455	2.4
69.07072	21.1
69.56840	1.9
69.84612	10.8
71.04998	7.3
71.08646	4.1
79.05500	92.9
79.05965	4.4
81.03423	3.5
81.07066	41.8
83.04995	16.8
83.08617	22.2
85.02933	1.9
85.06563	4.1
91.05484	33.0
91.94482	2.5
93.07055	44.8
95.04976	12.0
95.08620	16.7
97.06552	8.8
97.10178	31.4
99.08091	2.6
105.07032	31.2
107.04968	52.8
107.08604	74.9
109.06526	6.6
109.10162	22.8
111.04461	4.7
111.08093	7.2
112.58955	2.1
117.07035	15.1
119.08597	26.2
121.06552	4.2
121.10161	22.3
123.08107	3.9
123.11725	7.9
125.02433	3.7
125.06052	2.2
125.09647	34.5
131.08539	13.9
133.10138	19.9
135.08052	12.9
135.11710	5.6
137.09598	3.0
145.06581	2.2
145.10170	11.1
147.08090	2.0
147.11694	14.7
149.09633	92.5
149.13260	3.2
151.11215	2.8
153.05484	4.0
153.09097	5.9
159.11681	9.8
161.13297	5.2
163.03873	2.0
163.07674	2.3
163.11223	5.2
169.12277	4.1
171.10176	2.2
171.11636	2.3
173.11769	3.9
173.13278	6.0
177.12785	5.3
181.05005	7.5
183.11740	3.3
187.11270	2.9
187.13263	3.1
187.14801	4.2
189.11250	33.7
191.10706	9.1
195.10214	3.0
209.11729	14.7
209.15431	2.4
215.14307	2.2
221.08154	3.0
229.19479	12.0
233.11728	2.4
233.15359	2.7
237.11232	31.5
237.18503	5.1
239.17940	3.9
247.20592	6.8
257.19125	21.1
265.17792	3.8
275.20081	100.0
293.17810	3.8
293.21112	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	293.2112
Annotation	12-OPDA
Peak:m/z	Relative Intensity
50.54740	1.0
53.03949	2.4
55.01863	4.3
55.05516	16.3
55.45292	1.0
57.03444	1.2
57.07071	3.1
65.03936	2.3
67.05168	2.1
67.05508	28.6
69.03423	2.8
69.07069	24.8
70.16151	3.8
70.16553	2.4
71.04984	2.3
79.05495	16.8
81.03400	1.1
81.07063	33.8
83.04995	8.4
83.08639	6.0
85.06557	2.5
91.05486	21.4
93.07048	24.5
95.04972	9.0
95.08614	21.1
97.06532	4.4
97.10160	2.7
105.07039	28.2
107.04972	7.0
107.08606	16.2
109.06522	10.8
109.10135	9.3
111.08086	2.2
117.07050	6.6
119.08584	13.2
121.06503	11.0
121.10152	8.4
123.08097	5.2
123.11712	3.2
125.09623	1.2
129.07072	2.0
131.08560	14.9
133.06483	3.8
133.10136	17.8
135.08043	4.1
135.11685	5.7
137.09590	3.0
143.08588	2.9
145.06541	1.5
145.10120	13.2
147.08057	4.2
147.11684	11.7
149.09666	7.1
149.13272	2.5
151.11200	7.0
155.08504	1.8
157.10164	3.5
159.08043	2.3
159.11700	7.3
161.09645	3.1
161.13225	1.9
163.11197	4.4
169.10164	2.3
171.11710	2.4
173.09602	2.4
173.13243	3.8
175.11198	3.1
177.12781	2.5
182.23378	1.3
183.11743	2.5
187.11160	1.5
187.14796	2.1
191.10690	1.4
191.14325	4.0
197.13303	1.3
201.12741	3.2
205.12241	1.2
207.13857	2.0
215.14302	1.2
219.13815	5.4
225.14748	1.2
229.19496	2.2
231.17513	1.4
237.14928	1.4
239.17950	2.5
247.20609	4.1
251.12801	1.7
257.19012	13.4
267.29797	1.2
275.20078	100.0
293.21054	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	293.2111
Annotation	12-OPDA
Peak:m/z	Relative Intensity
51.27631	3.7
52.88993	4.0
53.03947	27.8
55.01863	15.7
55.05518	26.4
57.03433	7.2
57.07067	10.9
57.71670	3.6
64.80026	3.7
66.26714	3.8
67.05171	6.4
67.05506	70.3
68.99860	3.5
69.03426	5.2
69.06777	4.4
69.07077	49.7
70.19146	8.7
70.19538	10.8
71.04982	4.1
79.05488	46.7
81.03425	53.1
81.07063	100.0
83.04989	21.8
83.08598	7.9
91.05482	61.8
93.07057	56.6
95.01328	9.0
95.04985	23.8
95.08617	59.1
97.06538	33.3
105.06386	6.2
105.07039	85.3
106.98169	4.0
107.04940	25.7
107.08614	26.1
107.17302	3.7
109.06506	14.9
109.10154	19.3
111.04447	5.8
111.08057	8.9
117.07011	26.2
119.08590	43.3
121.06502	9.7
121.10175	19.9
123.04461	3.9
123.08069	16.8
123.11653	4.5
129.07033	6.0
131.08600	41.8
133.10133	50.0
135.08026	7.9
135.11687	17.1
141.06958	6.3
145.06488	7.3
145.10133	24.5
147.11711	21.2
149.09619	10.8
149.13255	5.9
155.08586	4.2
159.08072	4.2
159.11665	18.2
161.13286	5.8
163.11168	6.3
165.09157	5.3
169.10184	5.3
171.11676	4.8
173.13249	8.0
177.12700	9.4
179.14290	19.2
181.05025	8.1
181.14145	3.9
183.11743	5.2
187.11162	11.2
191.10707	6.8
201.12640	6.8
209.11774	9.1
219.17505	4.7
237.11255	16.5
246.18494	4.2
247.20609	5.6
257.18961	7.8
265.17953	5.3
275.20105	62.8
293.17804	6.9
293.21143	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03948	6.3
55.01872	9.0
55.05512	16.3
57.03431	3.6
57.07071	3.3
65.03928	3.3
67.05171	1.9
67.05515	36.5
68.99758	1.4
69.03423	1.6
69.07074	15.5
70.35348	4.1
71.04990	3.9
79.05058	2.3
79.05501	33.8
81.03422	9.2
81.07064	100.0
83.04983	5.1
83.08627	12.6
85.06556	2.5
86.18825	1.1
90.01461	1.0
91.04959	2.2
91.05488	25.3
93.07055	23.9
95.04977	18.6
95.08064	1.3
95.08621	22.1
97.06530	9.5
97.10193	2.7
99.08108	2.9
102.75765	1.1
105.07043	24.9
107.04955	9.3
107.08615	18.4
109.06528	41.5
109.10163	8.7
111.00800	1.5
111.04453	1.8
111.08074	6.6
117.07020	7.9
119.08595	22.9
121.06499	5.2
121.10147	11.2
123.08072	10.5
123.11723	3.1
125.09628	4.7
129.07037	3.4
131.08588	12.4
133.06465	2.5
133.10161	14.6
135.08049	4.6
135.11676	5.7
137.09608	5.2
137.13213	1.9
139.03949	1.2
141.07002	2.4
141.39554	1.5
143.08577	1.3
145.06538	1.2
145.10123	12.3
147.08093	2.3
147.11703	15.4
149.09645	12.9
149.13239	5.6
151.11195	4.2
155.08466	1.7
156.30789	1.1
157.10172	4.1
159.08047	3.0
159.11693	7.5
161.09615	2.2
161.13322	3.2
163.11198	9.4
163.14789	1.3
165.12752	3.3
171.11662	2.6
173.09663	4.7
173.13287	4.8
175.11180	4.2
175.14738	1.6
177.12770	2.6
179.14317	2.1
183.11728	1.7
187.11159	1.6
187.14850	4.7
191.10718	1.3
191.14331	1.3
193.12242	3.1
197.13177	1.7
201.12691	2.0
205.16060	1.5
207.13821	1.1
215.14325	12.3
221.08072	1.5
229.19624	2.9
233.15402	6.3
239.18091	3.1
247.20602	5.4
257.19028	6.9
261.99518	1.3
275.16885	2.3
275.20081	56.0
278.20114	1.3
293.17535	6.3
293.21033	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	293.2114
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
51.00411	1.5
53.00278	1.7
53.03941	5.1
55.01865	11.0
55.05517	35.5
57.03436	3.5
57.07079	23.6
60.67027	1.5
67.01868	3.3
67.05170	2.5
67.05509	37.7
68.77335	1.6
68.99796	28.5
69.03410	3.4
69.07075	61.6
70.07813	1.8
70.22153	5.2
71.04993	3.9
71.08624	5.6
71.29930	1.6
79.05495	33.6
81.03408	5.7
81.07063	56.4
83.04983	9.0
83.08630	23.8
85.02923	4.0
85.06565	2.0
91.05492	19.8
93.07051	30.8
95.04972	10.8
95.08611	28.2
97.02908	3.5
97.06535	13.9
97.10184	13.1
105.07039	21.7
105.79741	1.6
107.04945	5.2
107.08598	21.1
109.06512	13.0
109.10172	14.3
111.00037	3.0
111.00813	61.9
111.04430	12.6
111.08109	7.7
111.11712	3.9
115.07570	3.9
117.07034	7.6
119.08575	22.5
121.06500	5.1
121.10146	18.0
123.08061	7.0
123.11719	6.6
125.06010	4.8
125.09615	5.5
126.03130	3.0
127.03936	16.3
129.01031	1.8
129.07034	2.6
131.08543	9.3
133.10139	10.8
135.08057	8.6
135.11722	11.9
137.09599	6.5
139.03902	39.2
139.07570	3.4
139.11185	2.8
145.06490	1.7
145.10130	7.4
147.11678	8.5
149.09631	8.5
149.13242	6.7
151.07503	2.2
151.11165	4.7
153.05421	3.1
153.09079	2.7
153.12648	2.3
157.08575	3.4
157.10042	1.8
159.07962	1.8
159.11682	7.4
163.11183	5.2
163.14900	2.3
165.12682	3.2
167.07054	3.5
167.10709	3.6
167.14354	2.7
171.10165	3.6
171.11662	1.8
173.09669	2.4
173.13318	3.7
177.12737	5.1
181.08614	8.1
185.11716	3.0
191.14268	1.9
191.17911	2.3
195.10194	8.4
195.13776	3.7
197.07292	10.6
199.13333	2.0
201.12860	1.6
205.19389	2.2
209.11783	15.1
215.10541	1.9
215.17961	3.2
221.08084	3.5
223.13298	19.6
229.19569	2.7
233.19034	3.6
237.11165	2.7
237.14876	19.8
247.20509	2.9
251.16391	8.8
251.20105	9.4
257.18939	4.4
275.12582	1.8
275.20023	31.3
293.21109	100.0
294.10184	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03942	5.5
55.01868	8.2
55.05516	21.0
56.97621	1.6
57.03434	5.2
57.07076	6.4
65.03929	2.0
66.71059	2.0
67.05176	2.9
67.05508	44.9
69.03441	1.7
69.07069	27.7
70.15775	2.1
70.16121	5.8
71.04996	4.3
79.05498	46.2
79.38216	1.4
81.03430	9.4
81.07061	100.0
83.04971	6.1
83.08615	14.2
85.06545	3.9
91.04959	2.8
91.05489	35.1
93.07059	32.3
95.04978	21.8
95.08611	31.4
97.06531	7.7
97.10185	4.2
99.08104	2.3
103.05460	1.7
105.07034	35.8
107.04976	11.0
107.08592	21.9
109.06523	23.0
109.09560	1.8
109.10172	17.6
111.08080	7.3
113.06033	2.2
117.07033	8.1
119.07790	2.7
119.08588	36.6
121.06503	5.6
121.10170	15.3
122.03711	1.8
123.04421	3.7
123.08067	18.4
123.11710	9.5
125.09663	2.0
127.07520	1.7
129.07047	3.7
131.08565	16.2
133.10138	19.7
135.04483	3.0
135.08060	9.2
135.11687	6.1
137.05995	13.0
137.09636	12.0
145.06494	3.0
145.10143	13.1
147.11699	18.4
148.21378	1.6
149.09587	10.8
149.13252	4.3
151.11162	4.9
155.08574	2.6
157.10124	3.6
158.88205	1.7
159.08089	2.8
159.11687	8.9
161.13278	3.5
163.11205	10.6
164.11621	1.8
165.12759	5.5
171.11737	2.0
173.13245	6.6
175.11150	2.1
178.06068	1.6
181.12312	1.7
187.11182	3.6
187.14854	2.8
191.14224	2.3
195.13863	2.0
197.13367	2.2
209.11676	3.6
215.10748	5.6
219.13826	1.9
219.17459	3.2
221.08099	2.5
223.13275	2.9
229.19547	3.1
233.19025	2.6
237.11195	4.6
237.14897	1.7
239.18034	2.5
243.10143	5.2
247.20624	4.5
253.37383	2.0
257.19107	9.7
261.11328	5.1
275.16806	2.9
275.20078	63.3
293.14087	2.2
293.17816	2.7
293.21121	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2113
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
53.03945	9.2
55.01887	2.7
55.05506	12.0
56.96562	2.6
57.03429	4.6
57.07066	6.0
58.68931	1.7
59.04990	6.5
59.88912	1.5
65.03934	2.1
65.27875	1.6
67.05505	22.8
68.20802	1.5
69.03431	9.7
69.07074	13.5
70.92935	3.7
71.04977	5.9
79.05061	2.4
79.05497	41.3
81.03424	12.1
81.07059	52.5
83.05003	9.7
83.08607	6.4
85.06545	13.4
91.05480	25.1
93.07055	28.3
95.04971	21.5
95.08617	54.3
95.09235	2.8
97.06538	8.4
97.10185	4.1
98.97594	3.0
99.04446	4.5
101.06053	2.1
103.05499	1.9
105.07037	20.5
107.04951	22.6
107.08602	24.8
109.06528	12.2
109.10162	16.3
111.04430	3.5
111.08085	5.4
111.31923	1.8
113.09644	32.6
115.05459	2.8
116.98631	4.3
117.07042	16.8
119.08596	21.4
121.06528	8.6
121.10150	24.0
123.08060	7.6
123.11714	5.2
125.05991	5.2
125.09656	4.0
128.06245	4.0
129.05489	3.8
129.06990	7.2
131.04930	1.9
131.08577	28.0
133.06499	7.0
133.10150	19.2
134.99658	2.5
135.08061	37.3
135.11703	9.8
137.09619	15.2
137.13321	2.5
139.07524	2.9
139.11189	2.3
141.06969	5.1
141.09116	2.0
142.07828	2.2
143.08556	6.6
144.09335	2.1
145.06493	7.8
145.10141	13.0
147.08049	3.8
147.11697	11.2
149.02298	4.5
149.09633	17.2
149.13321	3.6
151.07504	5.6
151.11194	4.7
153.09097	2.4
155.08577	2.9
156.09402	2.1
157.10139	9.3
159.08061	25.0
159.11674	19.1
161.09657	11.0
161.13234	3.7
163.07492	3.5
163.11186	6.5
165.09158	2.1
165.12753	3.0
169.10136	5.3
171.11787	3.0
173.09598	2.6
173.13292	13.5
175.11176	10.9
175.14833	4.5
176.11809	2.3
177.09102	2.0
177.12778	5.7
183.11684	7.0
187.07590	2.8
187.11191	12.9
187.14833	2.8
191.10684	3.2
191.14349	6.6
193.12251	12.9
199.14859	10.9
201.12686	9.5
205.08607	42.5
207.13762	1.9
209.15326	2.8
215.10652	14.8
215.14182	2.2
215.17972	2.8
217.15894	5.1
219.10149	5.2
219.13805	38.6
221.08183	3.1
229.19557	2.2
233.11742	16.0
233.18948	2.4
235.16965	3.1
237.14867	30.8
239.17984	3.1
247.13329	40.9
257.15216	2.0
257.19064	6.6
275.16898	2.6
275.20068	56.8
293.13986	7.2
293.17603	10.3
293.21112	100.0
293.24597	4.8
294.21472	2.2
294.71945	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2113
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03940	2.5
55.01876	2.9
55.05512	10.7
57.03437	14.9
57.07075	6.1
59.05008	1.3
65.03934	2.7
67.05509	20.6
67.05842	0.7
69.07076	8.2
70.18803	4.5
74.26981	1.1
76.02315	0.9
79.05499	20.7
81.03416	3.2
81.07061	22.5
83.04995	5.2
83.08617	5.3
85.06553	3.6
91.05487	20.7
93.07050	20.4
95.04972	6.9
95.08610	16.0
97.06525	3.9
97.10151	3.2
99.04436	2.3
99.08134	1.2
105.07029	15.7
107.04967	4.2
107.08601	15.8
109.06550	6.8
109.10167	7.7
111.04442	2.9
111.08075	1.8
115.05427	1.6
117.07011	11.7
119.08598	13.7
121.06516	2.8
121.10167	9.4
123.08057	3.6
123.11746	1.7
125.02350	1.1
125.09640	3.2
129.06981	2.6
131.08553	12.3
133.10153	9.1
135.08070	3.9
135.11682	4.8
137.09618	3.7
139.03938	1.5
143.08568	1.7
145.10141	9.1
147.11690	4.3
149.09608	6.3
151.11221	2.3
153.05476	2.2
155.08636	1.1
157.10106	2.0
159.11690	6.8
161.13263	1.8
163.11235	2.8
173.13277	2.7
181.04970	4.2
185.13275	3.0
187.11224	1.6
191.10701	4.4
201.12650	1.1
201.16409	5.7
203.14360	5.0
209.11755	4.6
218.00142	1.1
219.10217	1.6
219.17451	100.0
220.17728	1.5
221.08130	1.6
221.15359	3.2
230.77451	1.2
237.11227	14.6
257.18985	3.6
275.17017	0.9
275.20056	18.5
293.13803	1.6
293.17706	2.6
293.21085	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	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
55.01874	1.8
55.05504	4.8
57.03408	1.3
57.07066	3.8
59.04987	4.6
67.05508	8.5
69.03412	3.9
69.07077	5.3
70.59330	3.5
71.04988	5.6
76.51423	1.2
79.05482	8.9
81.03437	1.4
81.07057	34.1
83.04980	3.0
83.08613	3.5
85.06543	9.8
91.05483	7.7
93.07043	16.5
95.04966	12.7
95.08604	39.9
97.06527	3.4
97.10177	1.3
99.04475	1.1
99.08074	1.4
105.07034	11.8
106.87376	0.9
107.04974	1.3
107.08585	17.2
109.06540	5.4
109.10153	7.4
111.04443	3.7
111.08073	4.1
113.09647	26.7
117.07010	3.3
119.08582	11.1
121.06515	2.3
121.10143	15.1
123.04407	1.1
123.08038	5.0
123.11708	2.1
125.05986	2.5
125.09600	2.3
129.06946	1.2
129.27368	1.1
131.08569	8.2
133.06575	1.3
133.10127	14.3
135.08041	23.5
135.11667	4.8
137.05943	1.8
137.09604	15.5
139.07611	1.3
139.11156	2.2
141.09094	2.2
142.07726	1.7
143.08549	2.4
145.10112	4.4
147.08066	2.1
147.11688	8.1
149.09654	13.7
149.13220	2.3
151.07570	2.8
151.11186	2.4
156.09322	1.0
157.10139	5.3
159.08063	1.5
159.11671	11.2
161.09630	9.3
163.07474	1.6
163.11163	4.7
165.09122	1.3
165.12813	1.5
167.10674	1.2
168.09337	1.2
169.10094	1.4
171.11658	1.7
173.09636	1.4
173.13237	6.7
175.11157	9.4
175.14806	3.2
177.09163	3.5
177.12740	4.4
181.12163	1.7
183.11688	3.0
184.12437	1.5
187.14862	1.4
189.12796	1.9
191.14313	3.7
193.12238	11.2
197.13225	1.4
199.14847	10.0
201.12766	6.9
207.13826	2.0
209.13443	1.1
209.15346	3.6
215.10603	1.1
215.17975	1.6
217.15927	4.5
219.13812	41.7
219.15938	2.2
233.15439	1.6
235.16901	1.3
237.11253	14.5
237.14844	32.6
257.19046	5.9
275.20056	43.9
293.13956	3.1
293.21106	100.0
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
51.21618	1.2
52.85291	1.5
55.05498	5.3
57.07061	4.7
59.04991	5.7
67.05510	7.4
69.03419	3.6
69.07059	5.3
70.70281	4.3
71.04983	4.6
71.72198	1.5
73.22538	1.3
79.05502	10.5
81.07063	24.6
83.05002	2.1
83.08610	4.5
85.06584	8.7
91.05479	9.1
93.07046	15.5
95.04961	13.0
95.08613	39.7
97.06519	4.5
105.07023	10.1
107.08594	12.8
109.06523	5.0
109.10144	4.5
109.80648	1.5
111.08067	3.8
113.09656	27.2
117.07046	3.4
119.08591	10.0
121.06539	1.7
121.10149	16.3
123.08083	4.2
123.11697	2.1
125.05994	2.9
130.91052	1.5
131.08574	6.2
133.06487	2.3
133.10141	11.3
135.08064	25.7
135.11650	4.2
137.09631	11.0
139.07431	1.6
141.09164	1.7
142.07837	2.2
143.08563	2.9
145.10130	5.9
147.11716	7.8
149.09624	14.1
149.13312	2.5
151.07501	2.2
151.11166	2.6
157.10150	5.6
159.10509	2.0
159.11685	11.9
161.09673	7.7
163.11145	4.4
173.13254	6.0
175.11191	9.0
176.12059	1.6
177.09149	3.5
177.12744	4.5
183.11740	3.6
191.14336	6.6
193.12213	11.8
199.14853	8.4
201.12753	6.1
207.13855	3.5
209.15443	2.5
215.18039	2.2
217.15889	2.4
219.13824	37.1
228.43176	1.6
237.14868	31.9
257.19003	4.6
268.12839	1.7
275.20081	43.8
293.21118	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2113
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
51.51763	1.9
53.03959	2.0
55.05518	12.2
57.07071	5.0
59.04999	5.1
67.05515	17.8
69.03416	5.6
69.07078	13.0
71.04991	6.5
71.56023	2.4
73.42723	1.6
79.05500	16.6
81.03451	3.1
81.07066	38.2
83.04971	6.6
83.08615	7.8
85.02921	1.9
85.06563	12.3
86.70954	1.5
91.05486	10.5
93.07050	26.6
95.04968	15.2
95.08614	47.9
97.06558	4.1
97.10158	5.2
99.04453	5.0
101.06003	4.6
102.68490	1.7
105.07037	17.3
107.04942	2.5
107.08607	26.1
109.06536	10.9
109.10166	16.5
111.04445	2.7
111.08092	6.3
113.09657	25.3
117.06994	4.2
119.08584	19.2
121.06487	4.4
121.10152	27.7
123.04477	1.8
123.08075	8.4
123.11694	4.4
125.06033	2.2
125.09628	4.3
129.07027	2.5
129.25328	1.6
131.08589	9.2
133.06467	1.7
133.10136	18.8
135.08080	19.7
135.11711	8.4
136.08740	1.7
137.09621	14.6
137.13217	1.9
139.11183	5.9
141.09056	2.1
141.62779	2.0
143.08563	4.2
145.10138	7.8
147.11694	13.2
149.09576	14.5
149.13246	4.4
151.07599	2.6
152.80765	1.7
155.10722	2.4
157.10167	4.5
159.08107	3.8
159.10506	2.5
159.11690	13.9
161.09613	9.5
161.13315	2.0
163.07489	2.3
163.11182	7.3
165.12726	2.0
171.11661	2.9
173.13304	12.0
175.11189	9.7
175.14853	3.9
177.09210	3.6
177.12766	6.0
179.10872	1.8
181.12236	3.0
183.11729	3.5
184.12392	1.9
187.11212	2.1
187.14876	4.3
189.16464	1.7
191.14345	5.8
193.12254	10.6
199.14850	9.7
201.12791	8.4
207.13832	2.5
209.15309	2.2
215.18077	1.8
217.15858	4.7
219.13820	34.3
233.08389	2.3
235.17032	2.4
237.14853	24.6
239.18129	2.5
245.01796	1.7
251.07246	2.0
257.19025	8.6
275.20099	43.6
284.98462	1.7
293.21140	100.0
293.24304	4.1
295.48923	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.2
55.01873	7.5
55.05517	10.3
57.03183	1.6
57.03441	22.1
57.07076	1.1
65.03928	2.5
67.05509	50.2
69.03431	2.3
69.07078	7.1
70.85471	2.3
71.04985	3.7
73.02922	1.2
77.95683	0.9
79.05498	100.0
81.03419	3.8
81.07065	27.7
83.04994	11.4
83.08597	2.5
85.06543	4.2
91.05486	71.0
92.05799	1.1
93.07050	75.8
95.04967	15.3
95.08614	21.2
97.06539	21.2
97.10158	1.4
99.04460	3.4
103.03941	3.6
103.05468	4.8
104.23529	1.0
105.04504	2.1
105.07040	32.6
105.72038	0.9
106.02603	1.1
107.04957	4.9
107.08601	32.3
109.06512	9.5
109.10162	5.6
111.04462	1.2
111.08100	3.2
113.05978	1.7
113.09615	1.5
115.05464	8.5
116.06218	3.2
117.07025	45.2
119.08579	13.9
121.06499	6.6
121.10151	42.6
121.97872	1.2
123.08080	10.0
123.11712	3.0
125.06008	1.7
125.09596	1.2
127.03837	1.4
128.06230	1.5
129.05527	4.9
129.07002	14.5
131.08578	54.8
133.06468	1.5
133.10132	4.8
135.08066	19.5
135.11725	2.8
137.09641	3.2
139.07539	3.8
139.11208	1.4
141.06976	10.0
142.07767	1.9
143.08559	2.9
145.06488	2.6
145.10133	12.0
147.08104	2.7
147.11687	5.9
149.02357	2.0
149.09633	19.1
149.10768	2.1
149.13263	1.3
153.07077	1.4
155.08571	10.4
157.10141	16.8
159.08073	2.6
159.11717	11.5
161.13281	2.6
163.11122	2.3
165.12819	1.8
167.10782	1.3
168.09363	2.1
171.11722	3.0
173.08240	1.1
173.09578	2.2
173.13272	15.5
175.11087	2.2
183.11694	13.0
191.14392	1.2
201.12769	11.7
217.15752	1.1
219.13898	4.0
223.13362	1.2
237.14761	1.3
275.20154	4.1
285.59183	1.0
293.17468	23.0
293.21088	6.6
293.24557	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	293.1747
Annotation	Lasiodiplodin
Peak:m/z	Relative Intensity
53.03942	1.4
55.01875	5.9
55.05513	29.3
57.03440	1.5
57.07080	8.0
59.05006	0.9
64.66338	0.4
65.03935	1.2
67.01869	4.2
67.05506	15.1
68.99792	27.0
69.03426	2.4
69.07069	29.2
70.75265	1.2
71.04985	1.9
71.08641	2.7
73.06541	0.4
74.14848	0.5
78.05602	0.4
79.05138	0.3
79.05492	12.8
81.03421	1.8
81.07058	21.1
81.67934	0.5
83.04987	6.6
83.08620	24.3
85.02922	0.6
85.06543	1.9
85.10166	1.0
87.00823	1.0
91.05479	4.7
93.03446	0.4
93.07045	17.8
94.36189	0.4
94.64545	0.5
95.04974	1.7
95.08611	20.9
97.02907	3.2
97.06541	11.0
97.09553	0.8
97.10174	13.1
99.04449	1.1
99.08086	0.5
103.05480	0.5
103.07326	0.4
105.04527	0.4
105.07044	3.3
107.04940	2.7
107.08595	15.4
109.06520	2.5
109.10159	5.2
111.00806	61.7
111.04440	13.4
111.08083	5.2
111.11720	2.7
112.01092	0.5
113.02389	1.0
113.06026	0.8
113.09659	0.5
115.03983	0.4
117.07002	2.6
118.69115	0.5
119.08589	2.5
121.06524	3.0
121.09299	0.9
121.10149	14.5
121.11026	0.9
123.04458	1.0
123.08101	2.7
123.11700	1.9
125.05986	5.4
125.09608	4.1
126.03151	2.7
127.03919	16.5
129.06941	0.7
131.08571	4.6
133.10161	1.7
133.64836	0.4
135.08049	4.5
135.11708	6.1
137.09630	2.4
137.13284	0.8
139.03903	31.8
139.07552	4.0
139.11171	3.8
141.06966	0.5
145.10130	4.2
147.11722	2.5
149.05991	1.1
149.09650	3.3
149.13281	1.3
151.07547	1.2
152.07996	0.4
153.05493	2.0
153.09111	4.1
153.12617	0.6
155.08565	0.5
157.08617	1.2
159.08122	0.5
159.11703	1.5
161.13289	1.5
163.07555	1.3
163.11177	2.3
163.14842	4.9
165.09071	0.6
165.12799	0.4
167.07057	3.4
167.10713	2.9
171.10249	2.6
173.13292	2.6
177.09172	0.8
177.16376	3.7
179.07028	0.6
179.10680	0.8
181.08594	5.2
181.12204	2.3
181.15889	1.6
185.11795	2.3
187.14828	3.8
191.18022	0.8
195.10158	7.0
195.17455	1.3
199.13313	0.7
201.12744	0.8
201.16367	0.8
205.15862	4.6
209.11736	9.1
209.15337	0.7
215.63457	0.6
219.17354	2.1
221.19066	0.8
223.13419	5.4
223.16917	12.9
229.15939	0.6
233.15446	0.5
241.17995	5.3
247.16911	2.0
251.16470	4.5
264.86935	0.4
265.17990	97.9
266.18344	1.4
275.16562	1.9
275.19580	0.4
285.46942	0.4
293.17468	100.0
294.17896	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1748
Annotation	Lasiodiplodin
Peak:m/z	Relative Intensity
53.03919	1.4
55.01878	5.4
55.05516	32.7
57.03405	1.3
57.07077	8.0
59.04983	0.7
65.03925	0.9
67.01869	4.1
67.05511	13.5
68.99795	25.7
69.03429	3.4
69.07073	32.8
70.97034	1.2
71.01320	0.9
71.05003	2.4
71.08643	2.8
73.06531	0.5
79.05069	0.7
79.05496	12.2
81.03395	2.0
81.07064	23.9
83.04559	0.5
83.04987	6.4
83.08625	24.1
85.06528	1.4
85.10160	1.6
87.00824	1.1
91.05476	3.8
93.07052	15.5
95.04942	2.3
95.08618	21.7
95.09229	1.2
97.02898	2.7
97.06544	12.9
97.10184	12.2
99.04425	1.1
99.08075	1.1
105.07066	2.5
107.04933	2.2
107.08603	14.0
109.06490	2.2
109.09471	0.5
109.10167	8.3
111.00813	60.4
111.04450	11.2
111.08092	5.4
111.11724	3.6
113.02365	0.6
113.06003	0.6
117.06993	1.8
119.08566	2.7
121.06526	2.7
121.09309	1.0
121.10147	14.9
123.04493	0.8
123.08083	2.7
123.11720	2.6
125.06001	4.6
125.09633	4.0
126.03162	2.6
127.03927	17.2
131.08601	3.6
132.60564	0.5
133.06506	0.7
133.10147	2.5
134.23943	0.6
135.08066	3.7
135.11708	7.2
137.09583	2.1
137.13234	1.4
139.03908	35.1
139.07526	3.6
139.11180	4.5
145.10167	2.4
147.11702	1.4
149.05965	1.3
149.09618	4.3
149.13252	2.6
151.07497	1.0
151.11150	0.8
153.05527	2.3
153.09120	4.2
153.12744	1.1
157.08624	0.9
159.11652	1.2
161.13203	1.1
163.07512	1.1
163.11240	2.6
163.14848	7.0
166.75539	0.5
167.07056	4.4
167.10706	2.8
167.14143	0.6
171.10193	1.9
173.13242	2.4
177.09203	0.8
177.12843	0.7
177.16457	5.5
181.08607	5.7
181.12234	2.0
181.15881	1.2
185.11798	2.4
185.13187	0.5
187.11227	0.6
187.14865	3.3
195.10208	6.8
195.17455	1.7
199.13280	1.5
201.16295	0.9
205.15892	5.4
209.11745	10.5
209.15257	0.7
215.14278	0.9
219.17479	2.3
223.13437	5.0
223.16925	12.9
229.15820	0.6
241.18028	4.8
247.16930	1.6
251.16377	4.5
257.15530	0.8
262.28415	0.6
265.18002	100.0
266.18323	1.3
275.16391	1.7
275.27216	0.5
293.17487	97.4
293.28403	1.9
294.17932	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1747
Annotation	Lasiodiplodin
Peak:m/z	Relative Intensity
53.03938	1.0
55.01876	6.9
55.05515	31.0
55.64428	0.5
56.96558	0.5
57.03436	1.0
57.06820	0.7
57.07081	8.8
57.96491	0.5
59.05008	0.6
65.03934	1.8
67.01868	4.0
67.05508	15.5
68.99795	28.9
69.03433	2.9
69.07072	29.9
69.55318	1.8
69.55722	1.6
71.04990	2.0
71.08647	3.0
79.05497	15.4
81.03427	2.4
81.07059	21.9
83.04536	0.8
83.04991	6.9
83.08132	1.1
83.08623	19.4
83.96804	0.5
85.02918	2.9
85.06539	1.4
85.10158	1.1
85.39167	0.5
87.00832	0.9
87.08094	0.7
91.05491	5.7
93.07053	16.1
95.04965	3.7
95.08615	18.7
97.02894	4.4
97.06539	12.0
97.10173	12.0
98.98513	0.6
99.04476	0.5
99.08078	0.7
105.07032	4.6
107.04973	3.3
107.08608	16.3
109.06506	3.2
109.10161	5.5
111.00811	55.4
111.04443	12.7
111.08073	5.0
111.11749	3.0
113.02386	0.8
113.06019	0.9
117.07025	2.3
119.08601	3.3
121.06509	2.8
121.10157	13.7
123.04449	1.0
123.08053	3.1
123.11736	1.6
125.06008	4.5
125.09615	4.2
125.13289	0.6
126.03138	1.6
127.03932	17.9
131.08586	4.0
133.10112	2.5
135.08063	4.0
135.11707	6.6
137.05960	0.8
137.09671	1.3
137.13255	1.2
139.03909	71.1
139.07532	4.2
139.11194	4.0
141.05440	0.7
145.06445	0.7
145.10146	2.8
147.08142	0.6
147.11745	2.5
149.06001	1.8
149.09650	4.1
149.13277	1.8
151.07549	1.2
151.11189	0.9
153.05473	2.9
153.09093	4.0
153.12723	0.8
157.08600	1.9
159.07954	0.7
159.11694	1.0
161.13249	1.5
163.07521	1.4
163.11201	2.5
163.14821	5.1
165.05490	0.7
165.09151	1.1
165.12762	0.6
167.07141	2.9
167.10712	3.8
171.10182	2.4
173.09615	0.6
173.13301	2.1
177.05455	5.5
177.09201	1.3
177.16399	4.6
178.06256	5.4
179.10672	0.7
181.08592	5.6
181.12215	1.2
181.15874	0.6
185.11731	2.2
187.11140	1.3
187.14803	3.3
191.07045	1.6
191.10733	0.8
193.08543	0.5
195.10179	7.6
195.17511	1.4
201.16391	0.8
205.08626	1.2
205.12224	1.1
205.15901	4.0
209.11732	9.7
209.15411	1.5
215.10686	2.3
215.14259	0.8
219.10170	1.2
219.17508	1.6
223.13416	4.2
223.16914	13.0
225.18689	0.7
229.15923	0.8
233.11728	7.2
233.15312	0.7
241.18045	5.0
247.16884	1.5
248.30904	0.5
251.16446	5.4
265.17996	91.7
266.18347	0.7
275.16507	2.8
275.19980	2.4
293.17484	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	13.2
55.01870	3.6
55.05516	17.9
57.03436	5.0
57.07064	6.9
60.95856	2.3
65.03934	4.5
67.05515	42.0
69.03427	11.0
69.07076	21.4
69.30399	20.1
71.05006	14.1
74.59314	2.5
79.05061	4.3
79.05502	69.5
81.03410	20.1
81.07066	67.5
82.02016	2.5
83.04975	9.9
83.08613	7.9
85.02898	3.2
85.06541	12.7
91.05478	29.3
93.07057	42.9
95.04982	31.5
95.08617	53.9
97.06544	18.5
97.10218	3.9
98.98475	2.8
99.04469	26.2
99.08099	4.3
103.05474	3.6
103.72849	2.6
105.04543	2.7
105.07045	36.4
107.04960	47.2
107.08609	37.7
109.06540	33.9
109.10164	29.6
111.08092	9.5
113.09641	10.0
115.05469	3.8
116.98646	4.4
117.07031	25.6
119.08598	32.7
121.06515	9.7
121.10149	42.4
123.08052	11.2
123.11710	18.9
125.05979	6.1
125.09635	9.1
127.07580	8.8
129.07039	8.8
131.04958	5.6
131.08583	29.2
133.06535	5.6
133.10135	22.4
135.08084	21.9
135.11723	15.8
137.09612	10.9
137.13316	3.4
139.07579	3.0
139.11208	5.4
141.07004	7.5
141.09024	3.0
143.08559	10.1
145.06487	16.5
145.10114	18.4
147.08081	3.6
147.11690	26.6
149.02313	6.3
149.09651	16.3
149.13303	13.5
151.07567	3.9
151.11205	6.7
153.05492	3.9
153.09105	3.2
155.08565	5.4
157.10159	9.8
159.08086	38.0
159.11668	20.0
161.09654	5.9
161.13307	6.3
163.07506	4.0
163.11235	17.5
165.09154	3.6
165.12816	16.1
167.07040	7.2
169.10127	8.1
171.11687	6.2
173.09612	10.9
173.13286	13.7
175.11183	5.6
175.14825	8.4
177.09154	5.1
177.12724	6.5
179.10652	3.0
183.11742	7.1
187.07555	7.1
187.11189	11.9
187.14804	2.5
189.12738	5.8
191.10608	3.7
191.14325	4.2
193.12231	3.1
195.11716	2.8
195.13676	3.0
197.13315	5.1
199.14827	12.6
201.12790	9.3
205.08611	76.8
205.12038	2.9
215.10699	100.0
215.14079	14.7
216.45345	2.4
217.15897	8.1
219.10211	57.7
219.13635	12.8
221.08128	3.7
233.11766	32.7
233.15356	30.8
235.17209	2.7
237.14870	4.9
239.17918	4.6
243.10275	3.3
247.13353	13.3
257.15402	3.0
257.19009	19.8
258.13794	2.6
261.11285	14.4
275.16956	4.4
275.20020	50.0
293.11334	3.0
293.14288	4.4
293.17499	19.0
293.21136	36.0
293.24762	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	293.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	16.8
55.01871	6.3
55.05514	29.0
56.96566	2.4
57.03437	5.5
57.07071	6.2
62.19180	2.6
65.03951	6.9
67.05511	48.3
69.03429	14.0
69.07069	33.2
69.42484	13.4
69.42889	6.6
71.04977	6.6
71.08612	5.4
71.72246	2.5
79.05064	3.9
79.05499	67.2
81.03412	22.9
81.07064	84.4
83.04980	10.6
83.08633	15.1
85.02930	3.4
85.06553	10.2
91.05495	29.8
93.07051	30.7
95.04976	26.0
95.08605	69.4
97.06535	11.0
97.10155	8.9
98.21535	5.5
98.98500	3.0
99.04470	2.6
99.08083	7.4
103.05494	6.1
105.00114	2.5
105.07023	27.0
107.04282	4.6
107.04957	55.9
107.08593	28.9
109.06509	15.4
109.10165	46.6
111.08076	8.3
113.09642	6.6
115.05428	3.8
116.98632	3.4
117.07037	22.6
119.08600	20.4
121.06504	12.0
121.10128	27.2
123.08076	7.3
123.11709	18.9
125.05997	4.5
125.09641	7.5
127.07561	5.8
128.06183	4.6
129.07005	6.4
131.04955	5.5
131.08568	28.9
133.06485	6.4
133.10138	17.1
135.08069	15.1
135.11716	15.1
137.09622	5.7
137.13237	5.8
141.07019	6.6
143.08553	6.6
145.06531	18.3
145.10143	10.9
147.08034	5.1
147.11685	9.4
149.09608	6.5
149.13248	11.7
151.11104	4.0
151.14815	3.2
155.08510	5.5
157.10144	3.4
159.08078	38.7
159.11685	12.1
161.09538	6.0
161.13249	4.0
163.11176	7.4
165.06912	3.1
167.07033	5.7
169.10156	6.4
173.09563	6.2
173.13257	8.4
175.11208	7.9
175.14883	4.1
177.05566	3.6
177.09192	4.3
177.12743	4.4
187.07565	9.6
187.11192	13.4
187.14783	3.1
191.14357	5.9
201.12804	6.7
201.16446	3.0
205.08604	85.3
215.10699	100.0
215.14096	5.1
219.10162	52.3
219.13797	9.7
221.08109	9.7
233.11746	37.0
233.15340	5.7
237.14851	5.2
243.10207	8.4
247.13252	31.3
251.12735	5.1
257.19141	8.3
261.11261	18.2
265.17990	3.3
265.25204	5.1
275.17072	4.8
275.20099	32.2
275.23578	8.0
291.61108	2.8
293.14417	3.8
293.17627	12.7
293.21103	24.3
293.24731	40.8
293.28052	5.0
302.12170	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	293.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	16.8
55.01871	6.3
55.05514	29.0
56.96566	2.4
57.03437	5.5
57.07071	6.2
62.19180	2.6
65.03951	6.9
67.05511	48.3
69.03429	14.0
69.07069	33.2
69.42484	13.4
69.42889	6.6
71.04977	6.6
71.08612	5.4
71.72246	2.5
79.05064	3.9
79.05499	67.2
81.03412	22.9
81.07064	84.4
83.04980	10.6
83.08633	15.1
85.02930	3.4
85.06553	10.2
91.05495	29.8
93.07051	30.7
95.04976	26.0
95.08605	69.4
97.06535	11.0
97.10155	8.9
98.21535	5.5
98.98500	3.0
99.04470	2.6
99.08083	7.4
103.05494	6.1
105.00114	2.5
105.07023	27.0
107.04282	4.6
107.04957	55.9
107.08593	28.9
109.06509	15.4
109.10165	46.6
111.08076	8.3
113.09642	6.6
115.05428	3.8
116.98632	3.4
117.07037	22.6
119.08600	20.4
121.06504	12.0
121.10128	27.2
123.08076	7.3
123.11709	18.9
125.05997	4.5
125.09641	7.5
127.07561	5.8
128.06183	4.6
129.07005	6.4
131.04955	5.5
131.08568	28.9
133.06485	6.4
133.10138	17.1
135.08069	15.1
135.11716	15.1
137.09622	5.7
137.13237	5.8
141.07019	6.6
143.08553	6.6
145.06531	18.3
145.10143	10.9
147.08034	5.1
147.11685	9.4
149.09608	6.5
149.13248	11.7
151.11104	4.0
151.14815	3.2
155.08510	5.5
157.10144	3.4
159.08078	38.7
159.11685	12.1
161.09538	6.0
161.13249	4.0
163.11176	7.4
165.06912	3.1
167.07033	5.7
169.10156	6.4
173.09563	6.2
173.13257	8.4
175.11208	7.9
175.14883	4.1
177.05566	3.6
177.09192	4.3
177.12743	4.4
187.07565	9.6
187.11192	13.4
187.14783	3.1
191.14357	5.9
201.12804	6.7
201.16446	3.0
205.08604	85.3
215.10699	100.0
215.14096	5.1
219.10162	52.3
219.13797	9.7
221.08109	9.7
233.11746	37.0
233.15340	5.7
237.14851	5.2
243.10207	8.4
247.13252	31.3
251.12735	5.1
257.19141	8.3
261.11261	18.2
265.17990	3.3
265.25204	5.1
275.17072	4.8
275.20099	32.2
275.23578	8.0
291.61108	2.8
293.14417	3.8
293.17627	12.7
293.21103	24.3
293.24731	40.8
293.28052	5.0
302.12170	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	293.1384
Annotation	10-Acetoxy-8,9-epoxythymolisobutyrate
Peak:m/z	Relative Intensity
53.03951	16.4
55.01877	2.4
55.05517	9.5
57.03444	2.5
57.07075	4.4
59.05005	8.1
65.03918	3.7
66.86703	1.3
67.05172	1.7
67.05505	17.7
69.03434	9.3
69.07069	12.1
71.04986	4.8
71.08632	3.8
79.05499	45.6
79.05960	2.7
81.03425	20.5
81.07063	30.4
83.04967	5.2
83.08627	4.8
85.06548	4.1
89.08015	1.2
91.05482	20.1
93.07041	20.6
95.04973	19.1
95.08611	16.8
97.06538	11.7
97.10172	4.5
98.21626	3.1
98.98412	1.4
99.04449	3.5
99.08090	3.8
103.05469	1.9
105.07045	12.6
105.70292	1.3
107.04961	48.7
107.08603	15.4
109.06524	15.0
109.10163	9.6
111.04446	1.7
111.11701	1.5
111.37637	1.5
111.77170	1.5
113.46822	1.4
115.05434	3.3
117.07024	20.0
119.04925	1.8
119.08588	7.5
121.06513	11.4
121.10159	15.5
123.08083	5.5
123.11693	4.5
125.06005	7.0
125.09596	1.6
127.03890	6.5
128.06209	3.1
129.05484	6.4
129.06985	5.4
131.04939	3.8
131.08569	25.2
133.06497	6.1
133.10118	6.1
135.04395	2.0
135.08067	14.7
135.11691	4.7
135.56311	1.4
137.05994	2.2
137.09605	2.3
137.13257	2.0
141.07004	5.6
142.07788	1.5
143.08549	3.0
144.09364	2.0
145.06470	12.5
145.10152	6.9
147.08063	3.4
147.11690	5.5
149.06081	1.7
149.09599	10.2
149.13298	3.3
151.07516	1.8
151.11179	3.8
153.05489	2.4
155.14334	1.4
157.10172	4.2
158.86285	1.4
159.08072	50.3
159.11655	9.9
161.09648	4.0
161.13243	2.0
163.07579	3.3
163.11168	2.2
167.07053	2.7
169.10126	3.2
171.11612	1.6
173.09601	6.2
173.13261	3.6
175.11183	2.2
176.77274	1.4
177.09103	3.5
177.12682	1.8
177.16351	1.4
181.08600	4.0
181.10159	1.7
183.11725	2.0
187.07605	6.4
187.11185	32.5
187.14819	3.9
191.06981	2.7
191.10678	5.2
201.12752	2.7
205.08614	90.2
205.16011	1.8
215.10696	28.6
215.14355	4.0
219.10182	15.8
221.08096	3.6
229.15923	1.4
231.63550	1.6
233.11748	38.2
233.15405	5.6
247.13318	100.0
251.12886	2.9
257.19009	2.7
261.11221	2.7
275.12711	2.1
275.16690	2.6
275.20087	9.7
275.23035	2.2
293.13870	14.4
293.17514	11.5
293.21179	12.4
293.24780	4.7
293.27902	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	293.1383
Annotation	CHEBI:69079
Peak:m/z	Relative Intensity
51.02390	1.1
53.03953	13.5
55.01873	1.6
55.05500	3.7
59.69102	1.4
61.75998	1.2
65.03946	3.4
67.05510	7.5
68.99777	2.0
69.03432	6.4
69.07062	2.3
70.65060	2.5
71.04993	1.6
74.16154	1.2
77.03957	1.3
77.88258	1.1
79.05499	49.3
81.03426	17.0
81.07053	6.8
83.04955	1.5
83.08612	1.4
91.05481	13.9
93.03411	1.8
93.07047	4.2
95.04977	18.2
95.08614	3.0
96.23553	1.3
97.06558	1.7
103.05443	2.1
105.03375	2.3
105.07019	4.7
107.04960	57.1
107.08585	2.1
109.06516	6.0
110.92824	1.3
111.00797	6.8
111.08070	2.8
112.94978	1.2
115.03899	1.5
115.05433	3.9
117.07026	22.1
119.08595	1.7
121.06494	5.5
121.10159	1.3
123.08038	1.6
125.05993	1.7
128.06235	2.2
129.06993	3.5
131.04941	4.7
131.08582	14.7
133.06512	3.3
135.08104	7.2
139.03888	3.4
141.06982	5.3
143.08533	2.0
145.06471	13.6
145.10091	1.6
147.08046	1.4
149.05975	2.5
159.08070	29.7
159.11681	3.3
160.08730	1.5
163.07626	1.2
167.07048	5.4
169.10097	3.1
173.09599	2.1
177.09122	1.3
187.07558	8.4
187.11212	8.3
205.08617	86.8
206.09000	1.5
215.07297	2.7
215.10693	100.0
216.10892	1.6
219.10182	59.2
233.11736	30.5
243.10255	2.0
247.13383	14.9
261.11316	12.8
265.17972	6.9
275.12802	1.4
279.12418	2.5
286.47552	1.5
293.14267	2.0
293.17499	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	293.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	7.4
57.03443	14.5
58.80970	2.4
59.05000	2.5
67.05522	4.7
67.33897	2.2
69.03429	10.2
69.07072	4.1
70.29155	8.7
71.01350	3.1
71.05001	34.7
72.39017	3.0
73.02921	3.9
75.04488	6.2
76.40118	2.6
79.05493	3.4
81.03399	3.6
81.07047	6.6
83.04990	28.5
85.02914	100.0
91.05482	3.7
93.07050	6.4
95.04974	8.1
95.08637	6.1
96.69817	2.6
97.02905	5.7
97.06552	4.1
99.04475	5.2
101.06057	3.1
103.05483	2.8
105.07064	4.7
107.08595	2.7
109.02914	3.1
110.27300	2.5
111.04456	23.2
113.06045	4.6
119.08560	4.5
121.10153	4.7
129.05496	28.4
131.04955	2.9
131.08594	3.2
133.10196	3.0
137.06038	3.5
147.06537	12.1
153.05447	14.5
156.30745	2.6
157.04967	5.2
159.06670	2.8
171.06560	9.4
201.07506	4.8
213.07599	3.2
239.09138	8.2
272.25580	3.1
275.11191	3.9
275.20154	4.6
293.08136	3.2
293.21155	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	293.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
55.01861	0.9
55.93517	0.9
56.96565	1.1
65.03938	1.3
67.05494	0.6
69.03425	0.8
69.07077	0.5
69.73637	1.8
69.74046	0.8
70.06593	1.2
70.95852	0.5
72.93776	0.9
79.05492	2.1
81.03412	0.5
81.07043	0.8
83.06113	5.1
83.08639	0.5
84.04519	4.7
84.08128	1.1
85.29765	0.4
91.05488	11.3
95.04969	0.8
95.08586	0.5
101.07154	2.8
103.05464	1.6
105.07039	17.7
107.04951	1.0
115.05467	4.5
119.04954	28.8
121.02887	2.2
129.06610	12.7
130.05003	5.6
131.04912	2.6
132.95847	0.6
133.06502	54.4
134.06870	1.0
135.04448	0.5
143.04947	0.9
145.06511	0.6
147.04420	100.0
147.07608	6.2
147.11250	0.6
148.04755	0.7
150.96902	0.8
152.84914	0.5
152.96349	0.6
155.11813	1.1
159.04401	0.6
161.05997	12.3
163.03954	0.9
166.97948	0.6
167.99773	0.5
170.40164	0.5
170.97539	0.6
171.05571	1.7
175.03912	0.7
175.08635	0.5
178.97923	0.7
191.07034	0.6
192.99467	0.8
194.97406	0.6
199.04033	0.5
201.12418	0.5
203.01552	1.1
203.03444	0.7
204.99529	0.7
205.01811	0.5
205.04987	0.7
205.08563	0.7
209.41873	0.5
215.06934	0.7
218.97351	1.1
221.02582	0.6
221.04478	1.6
223.00665	1.1
223.02766	1.0
223.07506	0.6
232.98970	1.2
233.50723	0.5
235.02740	0.9
236.98521	0.7
247.00485	3.8
247.14534	0.7
251.00055	1.9
251.07100	1.5
251.12839	0.8
253.03792	2.5
265.01587	0.8
271.04782	0.8
274.99976	2.5
275.09778	0.5
275.13776	0.7
293.01089	8.0
293.08038	0.8
293.11343	1.0
293.15021	2.4
311.68985	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35000	3.5
56.96565	20.7
57.06319	3.1
61.95398	3.5
64.00153	2.9
66.47947	2.9
66.91550	3.2
84.96030	13.6
96.27711	3.1
97.96783	6.7
98.97591	30.3
101.00896	6.5
110.97579	23.7
112.99133	8.7
115.97800	4.3
116.98647	10.6
119.01901	3.6
128.98619	24.2
131.00194	20.0
134.99673	4.2
139.00713	6.0
141.99353	10.1
143.00218	3.8
143.01897	12.5
146.35432	3.0
146.99657	8.2
149.01212	10.3
155.00186	3.6
155.97296	5.4
157.01732	32.5
158.99654	9.5
160.00412	5.6
161.02972	11.3
173.01280	8.6
173.02878	4.5
175.02797	16.9
177.00716	4.6
185.01271	3.3
191.02249	4.7
202.76192	3.2
233.03282	7.7
251.04433	58.9
269.05478	86.1
287.06400	6.0
293.06021	100.0
311.06552	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0547
Annotation	1,3-Dinitropyrene
Peak:m/z	Relative Intensity
50.00927	1.0
52.69154	1.0
54.08897	1.2
56.96569	33.1
61.02906	1.3
69.03400	1.7
69.84873	1.0
70.09911	5.1
70.98111	1.8
71.04992	1.2
81.66902	1.1
84.95584	1.5
84.96046	19.3
85.02898	2.1
97.96804	10.9
98.97589	45.5
100.31841	1.2
101.00857	1.8
102.97048	2.1
110.96849	1.6
110.97585	30.4
112.99154	9.3
115.87476	1.0
115.97820	3.7
116.97929	1.4
116.98631	16.6
119.01890	4.9
123.98318	3.9
124.99138	1.7
127.00682	1.5
128.98621	23.2
131.00177	22.4
131.01831	1.9
134.99640	1.9
139.00684	6.8
140.98636	5.8
141.99406	13.5
143.00171	6.8
143.01881	4.6
145.01743	1.2
146.99657	9.2
149.01213	6.4
155.00096	4.0
155.01901	1.1
155.97270	4.0
156.98123	1.9
157.00568	2.1
157.01755	35.4
158.99696	10.7
160.00418	5.7
161.01196	3.1
161.02925	8.0
163.02701	1.3
163.03964	1.5
164.98561	1.4
167.02089	1.2
173.01201	9.0
173.02802	2.8
173.98322	2.0
174.99110	1.9
175.02826	20.7
177.00749	9.0
182.99628	5.0
185.01189	3.7
185.02776	1.9
189.00781	2.1
191.02267	3.5
191.03905	2.2
193.03656	1.4
195.01747	1.4
199.99945	1.5
201.00713	1.9
203.02217	4.4
203.03928	2.1
215.02238	2.3
219.01704	2.1
221.03050	1.5
233.03235	8.6
235.06853	5.2
251.04413	68.1
253.07645	2.5
255.82071	1.2
267.88370	1.3
269.05469	100.0
270.05780	1.4
275.02469	1.3
287.06503	5.7
292.07053	1.5
293.05377	69.1
294.05780	1.3
311.06543	48.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29561	0.8
56.24146	0.9
56.96567	25.8
57.03677	0.9
70.98138	1.0
71.54976	0.9
71.95236	1.2
83.62088	0.8
84.54650	0.7
84.96041	17.0
85.63695	0.7
97.96806	10.9
98.97589	34.8
101.00853	2.4
102.97009	1.2
110.96836	1.6
110.97587	29.4
112.99138	6.5
113.00821	0.9
115.97799	3.0
116.97952	1.0
116.98631	13.8
119.01916	4.7
121.03204	0.9
123.98308	3.7
124.99091	2.2
127.00651	2.9
128.17606	0.7
128.98615	25.7
129.47820	0.9
131.00179	19.7
131.01736	2.0
133.98805	1.4
134.99693	4.4
136.99042	1.5
139.00693	6.0
140.98625	4.6
141.99385	15.5
143.00189	5.9
143.01901	7.6
145.01718	0.9
146.99648	8.9
149.01254	9.1
155.00162	4.0
155.01904	2.5
155.97247	3.4
156.78307	0.8
156.98116	2.2
157.01746	35.3
158.98672	0.9
158.99675	9.4
160.00438	4.8
161.01219	2.7
161.02914	14.5
173.01173	7.4
173.02908	3.3
173.98323	3.0
174.99144	1.9
175.01416	1.4
175.02802	21.1
177.00742	10.1
182.99669	4.0
185.01181	5.3
185.02821	1.6
191.02226	3.7
191.03925	1.7
195.01529	1.2
201.00621	3.3
203.02188	3.8
203.03963	5.3
212.04451	1.0
215.02206	2.0
219.01631	1.0
232.55142	0.9
233.03244	6.5
233.05029	0.8
235.06329	1.1
244.05614	0.8
244.89719	0.8
251.04411	71.0
269.05457	100.0
270.05859	1.5
274.05914	1.4
287.06567	5.3
292.06903	1.8
293.05560	74.8
311.06500	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2319
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
52.03179	1.2
53.03952	3.2
55.05309	1.5
55.05515	17.3
57.07064	2.1
58.75333	1.2
65.03922	2.7
67.05511	38.8
69.03429	2.0
69.06716	1.9
69.07069	19.3
71.30990	3.2
73.06552	1.6
77.03909	1.7
77.94613	1.4
79.05500	71.5
81.07062	44.3
83.08626	7.2
85.06539	3.1
91.04967	2.5
91.05493	29.1
93.07053	100.0
95.04990	7.9
95.08613	31.5
97.06548	2.4
97.10163	5.0
105.04556	1.4
105.07043	19.9
107.08603	53.3
108.27543	1.3
109.06511	3.9
109.10155	13.2
117.06985	3.4
119.08592	16.1
121.09309	2.7
121.10155	48.3
123.08099	1.4
123.11717	3.7
125.09640	2.3
129.07022	2.4
131.08556	6.5
133.10153	14.1
135.08067	2.0
135.11708	53.1
137.09637	2.7
139.11203	1.6
143.08614	1.9
145.10077	6.2
147.11723	10.4
149.09665	3.2
149.13272	33.7
151.11139	1.4
157.10156	2.1
159.11716	4.7
161.13205	7.3
163.11230	3.6
163.14789	8.7
171.11784	4.0
173.13295	2.9
175.14838	5.2
177.12732	4.6
177.16386	1.7
185.13315	4.0
189.12675	2.0
199.14845	3.1
203.14227	1.5
213.16429	1.5
217.19495	2.1
231.20999	1.6
235.17024	1.6
241.19498	4.8
249.18481	1.8
259.20541	9.2
291.19879	3.3
291.23193	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	291.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.0
55.01869	5.1
55.05515	25.1
55.12770	2.3
57.07075	5.2
67.05171	3.5
67.05510	47.2
69.03439	2.6
69.07076	20.0
70.52657	5.6
70.53033	6.0
79.05059	4.6
79.05499	80.6
81.07064	60.0
83.04958	3.2
83.08614	11.9
85.06534	4.5
91.05489	32.5
93.07052	100.0
95.04950	6.2
95.08604	40.7
97.10178	5.3
105.07023	21.9
107.04964	4.3
107.08608	53.7
109.06510	6.0
109.10158	13.9
117.07030	6.7
119.08611	19.2
121.06480	5.2
121.10146	48.9
123.08067	4.3
123.11710	8.6
129.06987	3.6
131.08589	7.9
133.10187	14.4
135.08073	4.9
135.11707	57.4
143.08562	6.6
145.10126	8.4
147.08128	3.7
147.11687	10.2
149.09604	2.6
149.13261	32.4
149.63245	2.5
157.10069	3.1
159.11717	8.3
161.13226	7.4
163.11272	4.4
163.14819	6.8
165.12662	3.5
171.11707	6.9
175.14806	8.5
177.12881	2.7
185.13368	3.3
188.92610	3.6
189.12679	5.1
192.26926	2.6
203.14313	4.5
241.19579	4.4
249.18391	3.0
259.20651	8.5
273.18503	8.2
291.19568	47.2
291.23169	62.7
291.26636	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03953	0.8
55.01882	1.9
55.05517	7.0
56.36929	0.2
57.03440	0.4
57.07075	0.2
59.04993	0.4
65.03931	0.4
67.05167	0.3
67.05511	4.5
69.03437	0.9
69.06725	0.2
69.07074	3.1
69.87029	0.8
71.04999	0.8
79.05500	6.6
81.03429	0.8
81.07066	6.0
81.07523	0.1
83.04986	1.1
83.08631	3.0
85.06535	0.4
91.05490	6.1
92.06278	0.2
93.07058	5.6
94.04170	0.4
95.04359	0.2
95.04975	3.1
95.08614	2.2
97.02895	0.2
97.06525	0.6
97.10176	3.0
101.09682	0.2
103.05459	0.4
105.03388	0.2
105.07042	6.4
107.04965	2.7
107.08599	2.7
108.05737	0.5
109.01455	0.2
109.06534	1.0
109.10149	0.9
111.08045	0.3
115.05430	0.5
116.06240	0.5
117.07034	2.3
118.04182	0.2
119.04961	1.6
119.08590	4.5
120.05705	0.7
120.09313	0.2
121.06521	1.5
121.10180	1.3
123.08073	1.1
123.11739	0.3
125.09653	1.3
128.06235	0.3
129.07030	1.4
130.07774	0.7
131.08574	2.7
132.05693	0.3
133.06500	3.6
133.10156	1.2
134.07306	1.1
135.08052	0.9
135.11685	0.4
137.09625	0.2
141.06894	0.2
142.07791	0.3
143.08566	1.3
144.09407	0.2
144.67000	0.2
145.06445	0.3
145.10112	1.9
145.40590	0.2
147.08069	3.5
147.11693	0.4
149.09647	1.2
151.07539	0.2
157.10162	0.9
159.08063	0.2
159.11723	0.5
161.09621	0.9
162.10410	1.5
163.11218	0.9
165.09100	0.4
171.11745	0.6
175.11270	0.8
185.09659	0.2
189.11186	0.3
189.12773	0.2
195.11667	0.2
223.13243	1.1
227.17946	0.3
235.17061	0.2
245.19025	0.3
249.14896	2.0
253.05905	0.2
255.17509	0.3
261.14789	0.5
262.15753	0.2
263.16379	0.3
273.18521	2.9
291.19562	100.0
292.19913	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03933	1.2
55.01873	2.3
55.05268	0.5
55.05517	6.7
57.03432	0.8
57.07067	0.6
61.96004	0.3
65.03930	0.4
67.05176	0.4
67.05511	5.7
69.03428	1.1
69.07063	3.1
71.04988	0.8
71.08626	0.4
79.05498	6.4
81.03406	0.9
81.07058	6.1
83.04972	1.4
83.08621	2.8
85.06528	0.4
89.06026	0.5
91.05487	6.6
93.07056	5.9
94.04182	0.4
95.04980	3.3
95.08601	2.9
97.06551	0.5
97.10180	2.9
98.20661	0.6
103.05493	0.5
104.08840	0.3
105.07034	5.8
105.07683	0.6
107.04983	2.9
107.08610	3.4
108.05756	0.6
109.02911	0.3
109.06505	2.0
109.10174	1.7
115.05444	0.9
116.06242	0.5
117.07036	2.5
119.04955	1.7
119.08584	4.8
120.05714	0.5
121.06498	2.1
121.10151	1.7
123.04406	0.5
123.08073	1.4
123.11693	0.5
125.09653	1.0
129.06998	1.3
130.07823	0.5
131.08609	3.6
133.06491	3.7
133.10146	1.6
134.07269	1.3
135.08047	1.6
135.11729	0.7
137.09653	0.6
143.08569	1.2
145.10123	2.1
147.08063	4.3
147.11662	0.7
148.08879	0.5
149.09651	1.1
149.13266	0.5
157.10098	1.0
159.11682	0.9
161.09650	1.2
162.10445	1.0
163.11223	1.0
165.09113	0.3
169.10080	0.4
171.11635	0.5
173.13338	0.5
175.11197	0.9
175.14812	0.3
189.12752	0.5
199.14859	0.4
205.90204	0.3
211.02715	1.0
223.13222	1.6
225.04276	1.6
227.02261	2.4
227.17836	0.5
245.19022	0.5
249.14835	2.9
261.14880	0.3
262.15652	0.4
263.16464	0.4
273.18573	3.7
291.19565	100.0
292.19968	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1957
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03938	8.6
55.01865	10.8
55.05515	21.0
57.03428	4.4
57.07083	2.5
58.39364	1.8
65.03947	2.7
67.05173	2.4
67.05508	40.3
67.58887	2.0
69.03417	4.6
69.07081	13.2
70.80990	4.5
71.04993	3.5
72.64602	2.2
79.05501	46.3
81.03409	9.9
81.07063	49.6
83.04975	8.9
83.08620	9.9
85.86366	2.0
87.60229	1.8
90.17013	1.9
91.04964	2.9
91.05492	42.8
93.07051	36.2
93.09930	1.9
94.45408	2.0
95.04995	14.5
95.08043	2.8
95.08612	31.0
97.02925	2.6
97.06542	4.5
97.10167	6.1
98.98444	2.6
103.05456	4.1
103.41628	2.5
105.07044	35.7
107.04961	21.7
107.08607	28.2
109.06535	10.6
109.10155	14.7
111.04399	4.5
111.08076	4.6
113.05977	2.2
115.05493	3.2
117.07024	19.6
119.04929	4.5
119.08580	26.2
121.06512	18.0
121.10171	14.4
123.04427	5.7
123.08097	10.7
123.11700	3.5
125.09599	4.7
129.07076	9.6
131.08568	17.3
133.06502	8.1
133.10144	16.6
135.08047	22.2
135.11705	6.3
137.09602	6.1
139.03923	4.1
139.07603	4.6
139.48892	2.1
141.06880	1.9
142.07719	2.5
143.08578	8.7
145.10120	16.4
147.08073	17.0
147.11690	8.5
149.09650	15.6
151.11234	5.1
157.10164	8.8
159.08032	5.8
159.11674	7.1
161.09654	16.4
161.13277	2.7
163.11162	5.6
165.09116	2.5
169.10078	2.3
171.11699	8.1
173.09563	3.1
175.11215	8.6
177.09082	4.8
179.10670	2.0
181.08583	2.2
185.13286	2.9
189.12830	4.5
199.11314	3.2
207.13766	3.5
213.12762	3.7
217.15846	2.1
227.17915	4.8
245.19032	9.6
249.15004	3.7
255.17455	5.7
263.20132	4.1
273.18521	48.3
291.19568	100.0
291.22888	5.0
291.27057	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1957
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
51.02359	0.3
53.03936	0.7
54.80011	0.2
55.01664	0.2
55.01880	2.1
55.05515	8.5
57.03435	0.3
57.07072	0.4
59.05002	0.5
59.63276	0.2
65.03948	0.5
67.05507	5.7
69.03416	1.2
69.07069	2.8
71.04978	0.9
79.05499	7.8
81.03418	0.9
81.07063	7.6
83.04971	0.9
83.08625	3.5
85.06560	0.3
87.04481	0.3
91.05487	7.6
93.07056	6.7
94.04180	0.3
95.04979	3.4
95.08612	2.8
97.06556	0.7
97.10173	3.6
98.21500	0.6
98.98483	0.3
103.05470	0.4
105.03423	0.4
105.04559	0.4
105.07043	6.4
107.04980	2.8
107.08601	3.1
108.05729	0.3
109.06537	0.9
109.10168	1.0
111.08082	0.4
115.05453	0.6
116.06231	0.6
117.07025	2.9
118.04234	0.2
119.04950	2.0
119.08587	5.7
120.05702	0.5
121.05111	0.2
121.06513	2.4
121.10168	1.2
123.08060	1.0
123.11739	0.5
125.09628	2.0
128.06229	0.7
129.07021	1.8
130.07776	0.8
131.04950	0.2
131.08583	3.4
132.05679	0.3
133.06514	3.7
133.10127	1.3
134.07254	1.2
135.08058	1.2
135.11707	0.5
137.09621	0.6
143.08600	1.4
145.06490	0.4
145.10133	2.7
147.08066	4.4
147.11678	0.6
149.09644	1.2
151.07593	0.3
157.10103	0.8
159.08063	0.3
159.11691	1.1
161.09625	1.5
162.10382	1.7
163.11208	1.1
165.09181	0.5
169.10173	0.2
171.11719	0.7
175.11168	0.9
185.13249	0.3
189.11215	0.6
189.12778	0.3
190.32872	0.2
223.13295	1.2
232.99261	0.3
245.19041	0.3
249.14911	2.0
249.18391	0.5
255.17374	0.4
261.14902	0.6
262.15771	0.4
273.15479	0.2
273.18497	4.7
291.19556	100.0
292.19873	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1957
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03946	2.6
55.01869	5.0
55.05512	12.0
57.03436	2.1
65.03928	1.4
65.31499	1.3
67.05235	1.1
67.05520	12.0
69.07086	5.7
70.13000	2.2
70.13375	2.5
71.05009	2.1
76.16461	1.3
79.05503	18.9
81.03419	2.2
81.07061	22.7
83.04996	1.6
83.08630	5.9
91.05498	13.8
93.07052	12.0
95.04974	8.8
95.08609	8.8
96.76723	1.1
97.06535	2.2
97.10162	7.4
98.98473	1.9
105.03349	1.8
105.07037	11.2
107.04958	7.2
107.08607	9.7
109.06518	2.8
109.10155	3.8
111.08085	2.7
115.05513	1.5
117.07004	7.5
119.04894	1.4
119.08580	16.3
121.06518	7.0
121.10139	4.6
123.04403	1.9
123.08067	3.3
125.09649	5.4
129.06996	5.3
130.07738	1.6
131.08589	4.4
133.06532	3.4
133.10133	4.4
134.36903	1.2
135.08061	4.9
137.09616	1.8
139.03935	3.7
143.08571	4.1
145.10133	8.6
147.08061	8.9
147.11667	2.6
149.09633	4.3
151.07547	2.7
157.10150	2.9
159.08182	1.7
159.11708	2.1
161.09642	2.6
163.11208	2.0
171.11739	1.4
173.09683	1.5
175.11171	1.8
185.13289	1.3
195.30386	1.3
223.13515	2.4
236.24054	1.2
243.42735	1.2
245.18980	2.1
249.14861	6.1
255.17392	2.0
273.18500	13.8
290.62445	1.4
291.19562	100.0
292.19934	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1957
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
53.03946	2.1
55.01873	3.0
55.05519	8.4
57.07074	4.1
59.05003	3.7
67.05505	7.3
69.03429	2.6
69.07066	6.2
70.21860	2.1
70.22200	5.8
71.04996	5.3
79.05504	13.4
81.07061	17.2
83.04987	3.1
83.08617	8.9
84.04513	3.1
85.04852	2.1
85.06540	2.6
88.40047	1.8
91.05492	10.9
93.07047	14.6
95.04956	8.2
95.08617	21.5
97.06535	5.0
105.07037	11.9
107.04950	15.2
107.08596	14.1
109.06535	8.4
109.10180	9.4
111.08096	38.5
113.09682	2.5
117.07058	2.7
119.08604	15.1
120.45479	1.5
121.06528	5.4
121.10155	7.5
122.07278	2.2
123.08090	33.8
123.11709	2.5
125.09612	3.3
129.07022	2.6
131.08566	8.1
133.06509	3.2
133.10161	10.4
133.27116	1.7
135.08044	7.4
135.11742	3.8
137.09636	3.2
143.08556	2.8
145.10159	7.5
147.04366	1.9
147.08067	4.6
147.11696	7.1
149.09662	5.8
149.13312	2.8
151.07561	100.0
155.10638	2.1
157.10152	6.0
159.08084	4.4
161.09662	4.6
161.13278	1.9
163.11206	4.9
165.09100	2.1
171.11702	3.9
173.13269	5.6
175.11227	4.2
177.09123	3.1
179.10696	4.0
181.12288	2.5
189.12775	25.5
191.10762	1.9
191.14281	11.7
192.11438	2.8
193.12308	2.0
197.11758	15.1
197.13306	2.2
207.11882	3.8
207.13828	62.8
213.12888	1.6
213.16373	2.0
215.14305	3.3
217.12207	3.4
233.15390	31.8
235.13254	1.9
241.86476	1.8
249.14883	2.1
249.18520	2.2
255.17493	3.4
273.18475	11.0
291.08975	2.0
291.19595	64.5
291.22772	2.3
291.26892	4.4
313.71918	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
53.03934	1.3
53.42545	0.6
55.01857	1.2
55.05522	4.7
57.07084	3.3
59.04995	2.4
60.59208	0.6
64.39331	0.6
67.05506	5.0
69.03432	1.7
69.07044	2.6
70.06590	1.0
70.20609	2.1
71.05000	3.3
71.06907	0.7
71.32336	0.6
76.60393	0.6
79.05502	5.9
81.03403	1.2
81.07066	8.3
83.04980	2.0
83.08620	4.5
85.02891	0.9
85.06547	3.8
88.07623	2.4
89.07994	0.6
91.05473	4.7
93.07040	10.6
95.04975	4.5
95.08611	13.3
96.00977	0.7
97.06548	3.8
101.46325	0.6
102.09187	1.2
105.04565	0.8
105.07039	10.7
107.04964	5.9
107.08606	8.5
108.05722	1.0
109.06532	8.2
109.10155	4.9
111.08087	29.7
113.09678	0.8
116.06222	0.7
117.07023	2.8
119.08583	9.1
121.06500	2.7
121.10149	6.0
122.07283	2.0
123.08074	33.0
123.11700	1.0
125.09623	1.2
129.06993	1.8
130.07806	1.2
131.08571	6.6
133.06485	3.3
133.10141	6.4
135.08066	5.8
135.11694	2.4
137.09610	4.4
139.11162	0.7
141.05444	1.4
142.07776	1.2
143.08582	2.3
144.09331	1.4
145.10135	12.2
147.08032	2.6
147.11676	6.8
149.09634	5.0
149.13254	0.7
151.07549	100.0
152.07829	0.8
155.08551	1.0
155.10684	1.6
156.09344	2.3
157.10115	4.7
158.10921	0.7
159.08072	1.8
159.11737	3.2
161.09683	3.6
161.13252	2.0
163.11179	3.7
165.09166	0.8
169.10246	0.9
169.12294	0.8
171.11707	4.5
172.12460	0.7
173.09688	0.7
173.13274	5.0
174.10402	2.2
175.11188	4.3
177.09111	1.5
177.12755	1.5
179.10645	5.1
181.12213	0.8
182.10954	1.2
185.13260	1.4
187.11227	3.6
187.14790	1.6
189.12747	26.0
191.10718	0.8
191.14320	4.0
192.11423	4.4
195.11740	1.0
197.11729	15.0
197.13306	2.0
199.11070	0.6
203.14352	2.0
205.12163	0.8
207.13815	64.3
213.16399	2.6
215.14336	5.0
217.12192	3.4
228.23175	0.8
229.15933	1.1
229.23586	5.5
231.17487	2.1
233.15393	13.3
235.13261	2.3
237.16400	0.9
249.18546	0.8
255.17426	2.5
273.18512	7.5
278.91992	0.6
280.78790	0.6
291.19571	46.1
291.27145	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	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03952	3.4
55.01863	4.2
55.05515	17.0
55.78838	1.6
56.20002	1.7
57.03426	3.3
57.07059	6.6
59.04998	2.5
67.05507	14.1
68.99791	3.2
69.03435	15.7
69.07064	12.9
71.04974	9.3
71.56925	3.1
79.05502	17.3
81.03434	10.3
81.07062	20.3
83.04988	22.0
83.08628	6.1
84.04504	7.7
85.02901	6.5
85.04819	3.1
85.06551	25.3
91.05486	17.3
93.03408	2.4
93.07056	24.6
95.04989	12.9
95.08620	24.1
97.02863	3.1
97.06520	5.5
99.04453	3.6
99.08054	3.8
101.06006	4.1
105.07036	38.2
105.35007	1.8
107.04945	7.9
107.08603	33.5
107.85292	2.1
109.02898	2.6
109.06522	13.7
109.10155	12.7
110.86154	1.8
111.04425	3.0
111.08094	15.2
113.05978	1.9
113.09623	2.6
115.05476	2.4
117.07040	9.8
119.04976	5.0
119.08598	30.7
121.06491	7.6
121.10147	16.8
123.04438	7.2
123.08072	10.1
123.11725	3.5
125.09638	19.4
126.05495	3.1
127.07572	6.7
128.06210	2.8
129.07008	7.1
130.07793	2.1
131.04907	4.3
131.08565	16.6
133.06474	10.3
133.10135	25.3
135.08076	10.5
135.11665	3.2
137.09613	13.4
139.03911	3.3
139.07539	3.2
139.11179	3.7
140.07068	5.5
141.07025	2.9
142.07823	3.4
143.08557	8.9
144.09311	2.0
145.06462	4.1
145.10118	17.9
146.07298	2.9
147.04413	7.7
147.08046	13.8
147.11690	18.1
149.06006	2.7
149.09644	15.0
149.13324	3.2
151.07541	5.5
151.11176	2.5
153.01750	1.7
153.09123	12.6
155.08533	2.8
156.09360	5.3
157.10139	11.1
159.08109	7.7
159.11723	8.1
161.06026	2.7
161.09645	12.4
161.13316	12.1
163.11221	8.9
165.09081	4.3
169.10114	2.9
171.08032	2.3
171.11719	11.6
173.09685	5.7
173.13177	9.4
175.11220	13.4
177.09035	2.8
177.12801	3.5
179.10689	11.2
183.11656	2.0
185.09616	2.4
185.13261	6.2
187.11209	2.9
187.14801	5.3
189.12775	32.2
189.16342	5.5
191.14320	5.2
193.12291	3.4
195.11723	2.1
196.69794	2.1
197.13301	3.6
199.11169	9.3
203.10721	4.3
203.14369	4.2
207.13782	5.8
213.12750	2.4
213.16379	2.9
215.14325	17.4
217.12228	9.4
227.17973	3.4
231.13849	4.5
231.17374	4.2
232.71677	2.0
233.15308	13.2
235.09700	3.4
235.13379	5.5
249.14932	1.9
249.18456	2.9
255.17488	6.7
273.15472	2.9
273.18466	33.6
291.01785	2.3
291.06577	7.8
291.09091	6.0
291.13837	3.6
291.16977	5.8
291.19583	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1341
Annotation	Limazepine B1
Peak:m/z	Relative Intensity
55.01870	0.7
55.05509	0.8
57.03460	0.4
67.05499	1.0
69.03417	0.8
71.04987	0.5
71.19435	0.9
79.05494	0.7
81.03400	0.6
81.07062	0.9
83.04971	1.9
83.08636	2.1
84.04510	1.2
84.08148	1.0
85.06525	0.8
86.83310	0.5
91.05473	1.4
93.07031	1.5
95.04954	1.5
95.08605	1.0
98.98492	0.6
104.74663	0.4
105.07044	1.9
107.04977	1.2
107.08607	1.9
109.06570	0.7
109.10184	0.4
111.04429	1.1
111.08046	0.5
119.04944	1.0
119.08567	1.5
120.08156	0.5
121.06494	0.5
121.10152	1.6
122.89258	0.5
123.04446	6.1
123.08075	0.8
124.04717	0.5
125.09603	0.5
130.06593	0.7
131.04965	0.7
131.06012	0.7
131.06921	1.0
131.08556	1.4
132.06830	0.6
133.06474	1.4
133.07501	0.7
133.10155	1.1
135.04424	0.7
135.08044	1.3
137.02361	0.6
139.03909	8.8
145.07587	1.0
145.10121	1.2
147.04416	6.2
147.07977	0.5
147.11670	0.7
149.09628	1.2
151.07588	0.5
153.12784	1.2
157.06436	0.5
157.10130	0.7
159.04361	0.7
159.05548	1.4
159.08067	0.9
160.09990	1.0
161.06000	1.3
161.09598	0.7
161.10812	0.9
163.03952	0.6
165.05479	1.4
170.08418	1.9
171.11679	0.5
173.13274	1.3
175.04105	0.5
175.11296	0.5
177.07452	0.7
177.09084	1.8
183.09131	0.6
187.05069	4.4
187.14804	0.6
188.09457	60.6
189.05542	0.6
189.10243	4.8
191.14313	0.7
197.13258	0.5
198.07875	1.2
198.92696	0.4
199.12294	1.2
199.15015	0.5
201.10211	2.6
202.11041	3.2
203.03418	8.7
207.06509	0.9
207.13867	0.5
213.10329	0.9
214.11023	1.2
215.11545	0.7
215.14339	1.5
216.08955	3.6
217.13383	61.4
218.13708	0.7
227.11795	2.7
229.04926	1.1
229.09932	0.6
230.10553	2.4
231.02899	10.3
233.15402	3.7
244.08458	6.8
245.12871	86.0
246.13126	1.4
249.18398	0.7
255.11232	1.3
263.06772	0.4
263.13901	1.4
273.12360	48.0
273.18564	2.0
274.12628	0.8
280.69916	0.5
283.45544	0.5
291.04898	1.6
291.13397	100.0
291.19553	6.4
292.13837	1.2
300.40448	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05475	2.0
55.35440	0.7
57.03402	0.7
60.50724	0.7
61.01119	0.8
67.05492	1.0
69.03413	0.9
69.07047	0.8
71.04958	1.5
71.30457	1.1
72.17352	0.6
77.35338	0.6
79.05460	1.3
81.07028	1.1
83.08600	1.5
84.08105	2.4
85.02885	0.8
85.06520	1.1
91.05467	1.6
93.07029	1.2
95.04927	1.3
95.08553	2.0
105.07003	1.4
107.04965	3.2
107.08572	2.0
107.19809	0.6
109.06485	1.4
111.28669	0.6
119.08535	1.6
121.06523	0.6
121.10106	1.3
123.04442	4.5
123.07986	0.9
125.09575	0.8
131.08577	1.3
132.08440	3.1
135.08037	1.0
139.03912	5.8
141.06905	0.7
145.10120	0.8
147.04414	1.8
147.11710	0.7
149.09595	0.7
157.10127	0.9
159.05487	1.0
160.09987	0.8
161.10675	0.8
165.05504	0.8
167.10617	0.7
170.08405	2.5
173.13275	1.5
187.05005	5.8
188.09456	63.8
189.10226	5.2
189.12828	0.9
191.14354	1.3
198.07893	1.4
199.12292	1.6
201.10237	1.7
202.11005	5.3
216.08936	4.1
217.13376	61.9
218.13744	0.8
227.11763	2.6
230.10475	2.2
233.15315	2.1
244.08398	6.8
245.12868	91.8
246.13289	0.8
255.11362	1.2
263.13882	1.4
273.12357	46.2
274.12759	0.8
291.13409	100.0
291.19565	5.2
292.13834	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0863
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
50.24655	0.4
55.01870	1.5
55.05509	2.2
57.03409	0.5
61.67847	0.4
65.03942	0.8
67.01875	0.4
67.05497	1.7
68.99786	1.9
69.03417	1.2
69.07069	2.4
71.04990	1.1
73.37331	0.4
79.05476	1.6
79.64973	0.4
81.03416	0.9
81.07044	1.0
83.04977	1.2
83.08638	2.1
84.04493	0.5
85.02901	2.3
85.06528	0.8
91.05474	1.7
93.03414	1.0
93.07066	1.2
95.04982	4.0
95.08608	1.5
97.02872	0.9
98.20689	1.0
99.04464	0.5
105.03397	0.8
105.07022	1.7
107.04973	3.3
107.08572	2.0
109.02870	0.6
109.06520	1.4
109.10154	0.8
111.04456	3.8
111.08057	0.5
111.11755	0.5
115.05463	1.2
119.04945	6.2
119.08587	1.5
121.10112	1.2
123.04435	64.8
123.08039	0.9
124.04719	0.5
127.03904	2.2
131.04958	0.6
131.08574	0.8
133.06493	1.4
133.10123	0.8
135.04408	0.9
137.02339	1.0
137.05989	1.0
139.03909	100.0
140.04300	0.7
143.04953	2.3
145.10117	0.9
147.04424	20.3
147.11716	0.7
149.05983	0.8
149.09622	1.5
151.03917	2.4
151.07582	0.6
157.10150	0.8
159.11577	0.5
161.05984	7.5
163.03943	2.4
165.04146	0.9
165.05486	13.8
169.05064	2.1
169.08684	0.5
170.73326	0.5
171.04411	0.5
171.11710	0.9
173.13269	0.8
175.11124	0.9
177.05473	1.1
179.07080	3.5
181.04903	0.8
189.05492	1.8
189.12708	0.6
191.14299	1.2
207.06544	5.8
207.13887	0.6
215.14381	0.5
233.15395	2.8
245.13000	0.9
249.07562	1.8
273.07486	1.4
291.08682	4.6
291.13327	1.0
291.16946	0.5
291.19614	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	290.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41930	0.5
53.03934	0.6
55.05510	0.8
56.05035	2.6
56.96563	0.6
57.03441	2.6
60.04531	1.4
61.02931	2.8
67.05506	1.1
68.99786	3.1
69.03428	1.3
69.44992	0.4
69.45303	3.4
71.05006	0.5
72.04531	0.9
73.02911	2.9
74.43970	0.4
75.04476	0.5
76.52049	0.5
78.70494	0.4
79.05515	0.4
80.05028	0.7
81.03429	3.3
81.07063	0.5
83.51070	0.4
84.04515	100.0
85.02916	15.6
85.06557	1.9
87.00849	6.7
93.07051	0.4
93.90374	0.4
95.08640	0.8
96.04510	2.3
97.02904	2.5
97.34245	0.4
98.06085	3.4
98.97607	1.3
99.04469	1.3
103.03953	16.0
105.01869	2.9
108.04518	1.6
109.02905	3.1
109.10201	0.4
110.06069	0.8
110.10513	0.5
116.98673	1.0
119.08630	0.8
121.10159	0.5
122.06065	0.7
126.05536	22.0
127.03934	2.9
129.01836	4.9
131.25677	0.5
136.04738	0.5
144.06575	1.4
147.02896	2.8
148.11946	0.5
150.05652	0.4
150.31697	0.5
156.06615	1.5
168.06601	6.9
169.05109	0.6
171.02953	1.5
177.00737	0.6
186.07605	2.6
189.03978	5.3
191.02228	0.6
204.08713	2.4
212.05583	0.6
228.08717	0.5
272.07663	4.3
276.33124	0.4
290.08746	16.1
290.18347	0.5
290.25821	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	12.7
55.93541	12.3
56.96574	84.8
57.03438	9.6
59.55320	7.6
61.02928	13.1
67.05505	14.1
69.03434	43.9
71.56302	11.7
72.93798	48.6
73.02930	10.2
79.08904	8.0
81.03426	30.1
84.04557	11.8
84.96049	11.5
85.02920	64.7
85.06563	11.9
86.09704	17.5
87.04500	16.5
90.94845	26.5
97.02900	40.4
98.97591	63.5
99.04454	9.1
101.64059	8.9
107.04948	11.9
109.02869	13.8
110.97585	20.5
112.07628	22.6
115.03957	23.1
116.98615	46.6
119.04907	10.7
122.26764	7.9
123.04453	11.7
127.03922	56.6
128.04282	37.3
128.98613	26.4
130.08678	12.0
131.04967	23.8
134.99681	23.1
135.04437	14.4
143.00177	27.7
146.99731	18.8
147.04442	40.8
156.03348	35.7
158.99728	19.3
159.03419	9.5
160.99171	11.6
161.01283	34.0
161.04695	37.8
163.03931	29.9
169.01778	9.1
170.05203	10.2
170.99721	34.3
174.04442	73.8
177.00784	23.7
178.97968	8.5
179.00194	28.1
182.03569	8.3
186.04402	58.1
189.00775	48.5
191.03941	27.1
194.97504	17.5
197.01294	85.2
199.25258	10.5
201.00598	11.8
202.24268	8.5
202.97917	71.7
204.05486	58.0
207.01807	25.8
209.05867	18.0
210.03810	8.6
212.98508	22.1
213.00583	12.7
215.02292	26.8
216.97871	8.9
217.00529	8.6
218.97462	22.6
219.01817	58.3
220.99036	100.0
221.01123	14.6
230.97461	23.8
231.01706	18.8
233.06784	8.4
234.96994	20.6
235.97583	9.7
236.98503	27.0
237.02884	89.1
239.00037	14.9
248.05710	12.8
248.98483	87.1
249.00774	11.9
252.97897	29.7
266.99542	38.1
272.00134	9.1
279.04288	9.2
285.02896	11.2
290.07101	34.8
298.27429	8.0
303.07574	14.8
308.08151	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	289.2524
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03940	2.5
55.01863	2.3
55.05509	24.7
56.05032	4.7
57.03436	1.9
57.07077	10.4
59.04991	6.1
59.06143	4.0
62.96687	1.6
63.87246	1.8
65.03921	3.0
67.05508	22.9
69.03412	5.5
69.07069	100.0
69.98161	5.4
69.98573	3.4
71.04977	6.0
71.08591	1.8
73.86320	2.0
74.06047	3.1
75.05608	3.5
79.05494	23.7
81.03391	1.9
81.07059	97.6
81.22630	1.7
83.04980	5.0
83.08636	16.8
84.04504	32.0
85.02905	5.3
85.06553	3.8
85.10160	2.1
87.00716	1.9
88.07645	10.8
89.07163	10.1
91.05480	19.7
93.07050	48.0
95.04953	2.2
95.08614	49.1
97.06528	5.8
97.10160	9.3
98.21371	2.7
99.08090	2.7
101.02446	1.7
103.03938	2.8
103.08715	4.6
105.06376	3.1
105.07034	38.0
107.08596	59.3
109.06546	4.9
109.10166	39.5
111.04446	2.9
111.08105	3.4
111.11712	22.8
114.44816	2.1
115.63424	2.0
117.07050	9.7
119.08590	54.8
120.08918	2.9
121.10078	26.2
123.04376	5.2
123.11711	24.2
126.05509	6.2
127.03884	2.5
127.11227	2.2
128.73355	1.8
129.01807	2.7
129.07068	2.4
131.08560	6.9
133.10138	19.8
135.04417	11.7
135.08134	1.9
135.10683	3.0
135.11697	53.1
137.13225	5.4
137.39125	1.9
139.03897	4.1
139.11150	12.8
145.06516	3.8
145.10136	16.7
147.11681	18.9
149.13266	34.7
151.03958	2.9
153.01813	2.0
153.12776	2.4
159.08073	2.4
159.11688	20.6
161.13231	9.1
163.03851	2.4
163.14838	10.0
165.12741	2.1
167.14282	2.2
173.13278	7.3
175.14819	8.1
177.12883	2.5
177.16391	8.0
187.14870	8.6
189.16396	6.5
191.17955	3.9
201.16457	5.3
203.18028	11.4
204.08881	2.1
213.23227	6.4
215.17958	6.6
217.19467	1.9
219.17416	2.5
242.24805	10.0
245.25954	5.5
266.12747	2.1
271.16876	9.0
271.24213	20.8
289.06223	5.5
289.18503	10.4
289.21661	9.1
289.25229	56.8
289.28510	62.4
290.08734	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	289.2528
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
52.90899	4.1
53.03949	4.9
55.05515	30.7
57.03421	5.0
57.07073	7.0
57.84956	4.4
59.05003	7.1
59.15997	5.0
64.12618	5.6
65.03955	5.4
67.05514	28.2
67.81326	5.5
69.03416	5.9
69.06719	8.0
69.07073	100.0
71.57333	5.6
79.05502	38.9
81.07062	97.4
83.04996	9.7
83.08619	17.4
84.04502	18.4
85.06534	5.9
91.05486	25.3
93.07047	55.2
95.04961	5.9
95.08612	51.2
97.06555	11.4
97.10191	6.9
105.07047	24.8
107.04983	9.0
107.08597	59.1
109.06516	5.9
109.10171	41.8
111.04448	17.0
111.11742	20.2
114.32283	4.8
114.47030	5.7
117.07083	5.7
118.85368	5.0
119.08587	35.5
121.06501	8.5
121.10154	26.4
121.57212	4.5
123.04433	29.3
123.08083	6.0
123.11692	23.9
127.03928	15.7
131.08566	11.8
133.10143	22.6
135.04437	61.4
135.11703	41.7
137.13278	9.3
139.03911	19.6
139.11162	11.2
145.10146	13.5
147.11710	20.3
149.02345	7.7
149.13242	20.7
151.03885	12.7
157.10153	8.4
159.08075	15.7
159.11705	20.4
161.09674	8.3
161.13239	11.4
163.03902	11.7
163.14900	6.8
175.14783	8.0
187.14894	7.1
189.16434	9.9
201.16405	7.1
215.17955	8.5
229.12231	7.7
241.46597	5.4
247.13292	5.2
261.07434	5.2
271.17004	11.2
271.24280	19.3
289.06104	29.0
289.18005	37.7
289.21704	16.1
289.25082	54.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.092
Annotation	Dianthoside
Peak:m/z	Relative Intensity
50.60448	0.3
51.77124	0.3
53.65538	0.3
61.02929	0.8
69.03449	1.7
70.71828	0.5
70.72170	0.7
81.03381	0.6
85.02902	4.6
91.03982	0.4
96.03155	0.4
97.02906	1.4
109.02935	0.5
111.66552	0.3
127.03926	100.0
128.04285	0.5
145.04967	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2162
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
53.03945	2.4
55.01885	1.8
55.05516	17.9
56.96555	1.1
57.03444	2.9
57.07084	3.3
59.05003	1.9
65.03928	1.6
67.05511	34.8
69.07074	18.6
69.80762	6.2
71.04964	1.5
71.08656	1.0
73.06550	1.4
79.05500	32.4
79.05965	1.8
81.03431	1.6
81.07063	39.3
83.04988	2.2
83.08624	8.3
84.61725	0.9
85.06561	3.5
85.19675	1.4
91.05488	52.4
93.07053	36.5
95.04987	4.1
95.08617	26.7
97.02917	1.5
97.06544	3.4
97.10166	2.1
99.08088	1.6
103.05463	2.7
105.03423	2.6
105.07040	66.0
107.04998	1.4
107.08604	21.4
109.06538	3.0
109.10171	13.6
111.08080	1.5
113.09656	0.9
115.05473	1.9
117.07026	15.0
118.07948	1.1
119.08595	51.4
121.06512	1.7
121.10149	21.0
123.04484	1.2
123.08108	1.9
123.11720	2.6
124.13322	1.2
127.03912	1.1
129.07007	4.2
130.07756	1.0
131.08585	19.5
132.09331	1.2
133.03474	1.8
133.10155	34.4
135.04431	3.3
135.11713	13.6
135.99510	1.0
139.03888	1.6
141.07024	2.1
143.08609	3.8
145.06534	1.4
145.10150	17.8
147.08073	1.5
147.11700	30.2
149.01271	2.1
149.09676	2.1
149.13274	7.3
155.08569	2.2
156.89677	1.0
157.10152	4.8
159.11707	18.2
161.02965	1.2
161.09714	1.3
161.11169	1.1
161.13297	16.3
163.11197	2.4
163.14848	3.7
167.02351	1.7
169.10199	2.1
171.11713	5.0
173.09781	1.2
173.13260	12.3
175.04507	1.3
175.11237	1.6
175.14864	3.1
177.12787	1.2
177.16432	3.9
183.11775	4.1
185.13278	1.5
187.11217	2.0
187.14835	3.2
189.16359	1.7
191.14410	1.4
191.17953	2.3
197.13269	2.2
201.06163	1.1
201.12788	1.8
201.16414	1.4
213.16483	2.9
215.14322	1.2
215.18033	3.2
216.08023	5.8
229.01030	1.5
229.15979	1.2
233.15338	1.5
239.17999	4.5
244.07576	2.2
257.19067	7.0
262.08664	1.1
271.20456	1.8
271.24307	5.8
272.07053	5.1
289.06491	1.9
289.18298	7.0
289.21664	100.0
289.25235	29.2
290.08130	41.8
290.22278	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0707
Annotation	5,7,3',5'-Tetrahydroxyflavanone
Peak:m/z	Relative Intensity
53.03948	0.5
54.05904	0.4
55.01875	0.6
65.03944	0.7
67.01859	3.2
67.05512	0.5
68.99812	2.7
69.03430	1.8
69.58456	3.3
79.05491	1.5
81.07078	0.6
89.03925	5.6
90.42268	0.4
93.03407	1.3
95.04954	0.8
97.02884	1.6
107.04967	3.6
109.02869	0.5
109.18179	0.4
111.00816	3.9
111.04457	3.5
117.03396	7.7
119.01925	0.5
123.04436	6.8
127.03922	0.9
132.29762	0.4
135.04428	21.8
137.02328	0.7
137.05980	0.9
137.42622	0.5
139.03911	4.5
145.02859	12.0
145.04004	0.9
149.02315	0.6
151.03937	2.7
153.01843	100.0
159.04459	1.0
161.05951	0.9
163.03923	60.1
171.02913	6.1
173.05984	0.7
179.03423	6.5
185.05965	0.6
187.03932	2.7
190.01353	0.4
201.05586	0.6
205.04912	1.4
213.92354	0.5
215.06967	0.5
223.05922	0.8
243.06569	1.1
247.05945	1.1
248.33546	0.5
271.06018	2.8
272.12814	0.6
289.07086	81.2
290.07318	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0707
Annotation	Eriodictyol chalcone
Peak:m/z	Relative Intensity
53.26441	1.1
58.40886	0.9
65.03934	2.8
67.01865	2.2
67.05505	1.4
68.99805	5.0
69.03435	3.1
70.68790	3.1
79.05496	1.9
81.03414	1.9
84.04490	1.4
85.02914	1.6
89.03921	5.8
91.05469	3.4
93.03432	2.2
93.07017	1.1
95.04960	1.9
97.02871	2.3
105.03423	1.2
105.07030	2.1
107.04958	20.7
107.08591	1.4
109.06489	1.2
111.00810	2.5
111.04442	8.2
115.23946	1.1
117.03397	6.6
117.07055	1.2
119.04967	2.9
121.02116	0.9
121.02831	6.6
123.04419	14.0
124.68366	1.0
127.03921	4.8
131.04948	2.0
131.08540	1.0
135.04424	35.3
137.02332	2.1
139.03902	10.6
141.07004	3.1
144.57283	0.9
145.02853	9.7
145.06599	1.1
147.04396	1.5
147.08130	1.2
149.02350	44.0
151.03909	5.7
152.06317	1.2
153.01833	100.0
157.06447	1.1
159.04385	2.5
163.03914	49.2
169.06485	5.0
171.02937	4.5
173.06012	1.2
176.74062	1.4
179.03418	3.5
187.03938	3.6
187.07610	2.6
195.02998	2.2
197.05949	5.6
201.05579	1.4
213.40236	1.1
215.07033	43.9
225.05627	1.5
231.06459	1.5
234.04201	1.0
243.06548	53.7
261.07562	1.5
271.05994	22.9
271.08728	1.5
272.12900	1.2
284.84677	1.2
289.07068	62.0
289.12079	2.5
289.18188	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0708
Annotation	Eriodictyol chalcone
Peak:m/z	Relative Intensity
51.02376	1.3
53.03945	1.4
55.01867	2.9
55.05502	1.7
57.39976	1.3
65.03939	6.3
65.85788	1.3
67.01866	4.0
67.05495	4.4
68.99781	7.0
69.03434	1.8
69.07103	1.4
69.64259	7.2
71.39217	1.4
72.45638	1.4
77.03954	1.4
79.05493	2.6
81.03410	3.0
81.07075	1.5
83.04971	2.5
84.04499	1.7
89.03916	8.8
91.05468	3.3
93.03416	7.1
93.07045	2.0
95.04964	6.3
97.02880	1.8
98.20740	2.4
99.12405	1.5
103.05462	2.2
104.06189	1.3
107.04958	20.3
107.08599	1.9
109.06521	3.6
111.00819	2.8
111.04451	23.5
115.05463	2.6
117.03355	6.9
119.01871	1.7
119.05022	1.4
119.08587	2.2
121.02868	6.1
123.04436	64.4
127.03923	20.1
131.04924	5.6
131.08594	2.0
135.04427	100.0
137.02347	5.1
138.05527	1.8
139.03915	40.1
141.06944	6.5
143.08589	1.4
145.02844	8.4
145.06497	2.3
145.10106	2.1
147.04424	3.4
147.08029	1.9
149.02354	33.8
149.05942	2.7
151.03920	19.5
153.01837	80.1
155.05000	1.7
157.06480	2.1
159.04402	6.2
163.03922	65.1
167.03391	2.8
169.06493	17.5
171.02895	4.7
173.06030	4.1
175.07458	1.6
177.05440	2.5
179.03435	6.3
179.04875	1.8
181.06450	2.5
183.04514	1.7
187.03870	3.7
197.05997	41.3
201.13940	1.6
203.03433	2.4
205.04945	3.2
207.04390	2.0
213.05409	3.2
215.07040	36.9
221.04495	3.2
225.05458	14.3
229.04951	3.6
229.13380	1.6
231.06660	3.8
241.04843	2.0
243.06528	56.2
245.04530	2.5
247.06096	1.7
247.16951	1.5
253.04953	23.3
259.05991	6.5
261.07599	6.8
271.06021	95.1
289.03540	5.4
289.07065	67.7
289.11835	6.8
289.15286	3.1
289.17999	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	289.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36079	0.5
56.96557	1.6
58.99863	1.5
61.02911	0.9
67.19088	0.5
68.98286	1.0
70.27131	2.0
70.99854	2.5
73.02929	0.6
77.00912	1.0
77.29533	0.5
82.99802	3.1
85.02903	1.1
86.99348	0.7
89.00891	1.3
95.01956	0.5
97.01376	1.7
97.02920	0.6
98.97569	1.4
101.00884	44.2
103.02450	0.9
113.00883	3.0
115.02441	17.8
117.03991	1.7
119.01924	100.0
120.01995	1.5
124.46603	0.5
125.00788	0.5
126.98769	1.1
127.02419	0.9
127.03910	3.0
129.04004	4.5
131.00238	0.7
131.01912	11.1
133.03476	30.0
134.03520	0.6
135.05034	0.8
136.18336	0.5
137.02957	15.6
137.04005	0.8
142.03476	0.8
143.01900	19.8
143.63277	0.5
144.99808	2.6
145.03516	3.7
146.99660	0.7
147.01411	2.3
147.05048	6.2
149.02975	2.6
151.04533	4.2
154.98247	0.7
155.01927	0.9
157.03471	3.6
159.01413	1.0
161.02966	57.8
162.03098	0.7
163.04524	1.1
168.99818	8.4
171.01405	6.9
172.99243	0.7
173.02991	9.0
175.00928	3.2
175.04526	1.9
177.02499	1.5
178.04884	0.7
178.55093	1.5
179.02519	0.7
179.03876	2.5
183.05096	0.5
184.04614	1.1
185.02995	1.9
187.00887	21.4
187.04485	3.8
189.02460	11.6
191.00330	0.7
191.04018	7.1
193.02031	0.8
196.99297	3.8
199.00877	13.0
199.04549	1.8
201.02408	2.9
203.00421	1.2
203.04083	2.3
205.01936	8.6
207.03473	2.9
215.00374	21.0
217.01944	26.5
219.03505	6.5
223.02882	0.6
229.02002	8.3
229.05617	1.0
231.03445	3.0
233.01418	4.7
235.03065	2.5
237.04564	0.7
240.03632	0.6
245.01361	0.9
247.03018	22.3
251.02553	1.5
257.01495	0.6
259.03085	1.7
263.02585	1.1
265.04025	5.4
269.64777	0.6
277.04010	3.5
289.04108	8.7
289.07724	4.1
293.03580	1.5
307.05264	6.5
307.08838	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05269	3.7
55.05515	64.2
57.07083	41.0
68.09450	2.8
69.07073	100.0
69.36588	28.2
71.08632	25.0
81.07067	3.9
83.08625	80.1
85.10180	16.9
97.10180	68.0
98.21455	6.0
98.98154	3.0
105.72546	2.9
106.11426	2.9
111.11725	25.4
125.13293	7.0
148.47948	3.0
287.05533	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	287.2372
Annotation	Retinol
Peak:m/z	Relative Intensity
51.02372	0.8
51.70691	0.7
52.88417	0.6
53.03931	1.4
55.01852	1.6
55.05512	12.1
55.26295	0.6
55.28058	0.6
57.03426	2.7
57.07065	2.8
59.04996	1.9
63.00035	1.3
65.03939	2.1
67.05166	1.3
67.05507	17.7
68.99784	3.6
69.03415	2.3
69.07072	21.0
71.04996	1.6
71.08613	0.8
71.32178	1.9
79.05054	0.9
79.05495	10.4
81.03425	1.5
81.07061	35.6
83.04985	9.7
83.08633	7.6
85.02878	0.9
85.06536	2.1
86.09715	0.7
91.04961	1.0
91.05486	12.1
93.07053	27.5
95.04979	3.9
95.08611	26.5
97.06538	2.2
97.10165	2.5
98.98467	1.3
99.08108	1.4
103.03951	1.6
103.05420	0.9
105.03429	0.8
105.07037	22.2
107.04935	1.8
107.08607	26.3
109.02891	1.4
109.06500	4.8
109.10162	35.4
111.00789	1.6
111.08102	2.6
111.11737	1.5
113.09673	0.9
115.05490	0.7
117.07016	3.2
119.08591	28.0
121.02873	7.6
121.06485	2.5
121.10161	19.0
123.08044	4.4
123.11728	8.3
125.09642	2.4
128.06293	0.7
129.06979	2.7
130.07756	1.6
131.08588	9.9
133.10143	17.7
135.08043	1.4
135.11697	14.9
137.02338	2.2
137.09586	2.9
137.13293	1.6
139.11180	2.4
142.07802	2.5
143.08563	6.3
145.10133	12.8
147.04404	2.0
147.08032	1.3
147.11687	11.2
149.09619	10.9
149.13263	10.0
151.11186	1.9
153.01842	11.1
155.08429	0.9
156.09314	1.7
157.06497	1.6
157.10147	12.3
158.10976	1.5
159.11711	14.8
161.05980	1.0
161.09605	1.5
161.13266	10.3
163.11186	2.9
163.14856	2.7
165.01843	3.3
165.12764	2.7
169.10088	1.5
170.10869	1.5
171.04379	1.0
171.11739	7.4
173.13261	10.8
175.11183	2.9
175.14821	6.7
177.12769	2.4
177.16402	2.8
183.02928	1.6
183.11673	1.0
185.06038	1.4
185.13272	5.8
187.14839	7.3
189.12778	0.9
189.16388	6.8
191.14343	1.9
193.15894	1.2
199.03883	1.2
199.14822	6.7
201.16394	5.2
203.14226	1.2
203.17949	1.8
205.15820	0.9
211.14836	1.2
213.05473	2.6
213.16397	9.4
215.17966	2.2
217.15892	1.9
217.19485	0.8
217.85071	0.8
223.52870	0.8
225.16402	0.9
227.18031	3.9
229.19505	6.4
231.06514	1.2
231.17439	3.3
241.04924	1.6
241.19548	2.7
245.04573	1.0
258.05289	1.7
259.20734	0.7
259.24188	1.3
269.19186	2.1
269.22635	18.4
287.05518	100.0
287.16855	1.5
287.20117	7.5
287.23648	48.3
288.05896	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	287.2371
Annotation	13-cis-Retinol
Peak:m/z	Relative Intensity
53.03932	2.6
55.01862	1.5
55.05517	14.2
57.03426	2.4
57.07074	2.7
59.04996	1.7
59.11357	0.8
63.00040	1.0
64.16113	0.8
65.03947	2.3
67.05179	1.3
67.05511	23.6
68.99434	0.8
68.99791	2.9
69.03432	2.3
69.07071	25.7
70.96981	1.6
71.04985	2.1
79.05059	1.0
79.05498	14.9
81.07061	47.7
82.19844	0.9
83.04992	10.7
83.08625	8.4
85.06551	2.0
91.05492	12.0
93.07049	28.7
95.04963	3.2
95.08609	27.8
95.19712	0.9
97.06520	3.8
97.10168	2.5
99.08063	0.9
105.07034	24.7
107.04969	2.1
107.08599	32.9
109.06524	4.9
109.10160	43.0
111.00761	1.4
111.04491	1.0
111.08086	3.5
111.11710	1.8
115.05499	1.6
117.07010	4.6
119.08587	26.6
121.02866	6.7
121.06490	2.6
121.10151	18.4
123.08096	4.0
123.11703	9.7
125.09603	2.2
129.06995	2.4
131.08578	8.8
133.10135	20.3
134.04176	0.9
135.08075	1.9
135.11702	19.7
137.02316	2.2
137.09631	3.3
137.13219	2.9
139.11171	3.5
142.07765	2.5
143.08554	4.8
145.06537	1.2
145.10126	14.0
147.04373	1.5
147.08044	1.2
147.11688	13.0
149.09625	10.8
149.13266	10.7
151.11113	2.4
153.01833	10.7
156.09370	1.4
157.06540	1.2
157.10150	10.2
158.10893	1.1
159.11720	16.5
161.09558	1.1
161.13261	9.7
163.11214	2.7
163.14851	3.5
165.01834	3.6
165.12749	2.8
171.01373	1.5
171.11674	6.6
173.13274	10.1
175.11221	3.2
175.14832	9.1
177.12727	2.1
177.16438	5.2
179.14314	0.9
183.02911	1.5
185.05971	1.5
185.13264	5.8
187.14844	6.9
189.12729	1.1
189.16394	6.5
191.14311	2.1
193.16011	1.1
195.17453	1.7
199.14815	6.3
201.16385	5.2
203.14278	1.0
203.17964	2.6
205.15887	2.4
211.14888	1.3
213.05502	2.9
213.16400	11.5
215.17949	2.8
217.15883	1.9
219.17477	1.5
227.17928	3.7
229.19527	6.7
231.06345	0.9
231.17505	4.7
241.04961	2.3
241.19453	1.3
243.21045	1.2
245.04550	1.1
258.05301	1.3
261.13342	1.1
269.22665	19.8
287.05521	100.0
287.16525	2.2
287.23737	52.8
288.05838	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2371
Annotation	Retinol
Peak:m/z	Relative Intensity
53.03941	2.1
53.94822	0.6
55.01866	1.7
55.05266	0.8
55.05513	11.9
57.03417	1.9
57.07059	2.8
58.03238	0.7
59.04983	1.1
65.03929	1.2
67.05174	0.9
67.05508	12.0
68.99775	2.6
69.03423	2.5
69.07071	23.3
70.06566	0.8
71.04972	1.1
71.08642	0.9
71.14909	1.0
79.05056	0.9
79.05497	13.0
81.03401	0.9
81.07060	41.9
83.04967	4.2
83.08627	5.2
85.06513	1.4
87.04432	1.8
91.05474	9.9
93.06468	1.1
93.07044	21.9
95.04979	3.0
95.08610	24.0
97.06508	2.7
97.10163	2.8
98.20745	0.8
99.08098	1.2
105.03417	0.6
105.07034	20.4
107.04961	1.4
107.08596	19.2
109.02856	0.9
109.06532	3.7
109.09465	1.3
109.10167	18.8
111.00811	1.3
111.08090	4.5
111.11724	5.8
115.05422	1.0
117.07016	2.7
119.08588	14.8
121.02873	6.5
121.06532	1.4
121.09320	1.1
121.10149	17.2
123.08084	2.0
123.11696	4.9
125.09634	1.5
128.06195	1.1
129.06998	2.5
131.08565	7.9
133.10133	17.8
135.08043	1.3
135.11690	12.8
137.02304	1.9
137.09610	1.8
137.13242	1.4
139.11180	2.0
142.07745	1.2
143.08546	4.6
144.09308	0.8
145.06497	1.2
145.10129	10.5
147.04430	1.7
147.08116	0.8
147.11685	7.6
149.09630	4.2
149.13268	6.0
151.11212	3.0
153.01845	10.0
157.06512	1.7
157.10144	6.1
159.11700	8.5
161.13255	6.9
163.07468	0.7
163.11139	1.8
163.14796	2.6
165.01813	3.7
165.12819	1.1
171.04425	1.6
171.11697	5.5
173.13268	7.9
175.03963	1.1
175.11214	1.0
175.14850	6.7
177.12727	1.6
177.16389	6.2
183.02956	1.6
184.55272	0.6
185.05978	1.8
185.13278	4.9
187.14799	5.3
189.12717	1.5
189.16354	4.6
191.14326	1.2
193.15822	1.6
195.17445	1.4
199.03932	1.5
199.14832	4.3
201.16417	5.8
203.14401	0.9
203.17917	1.5
205.15846	1.3
213.05499	3.7
213.16391	6.6
215.18004	1.3
217.04889	0.7
227.17964	1.9
229.19513	3.8
231.06496	1.8
231.17516	1.2
241.05037	1.5
241.19443	1.3
245.04512	1.1
258.05289	1.3
259.06131	0.9
259.24207	0.9
269.04422	1.2
269.10049	1.5
269.19339	1.2
269.22668	13.7
278.60126	0.6
287.05502	100.0
287.16757	1.3
287.20108	2.1
287.23752	33.0
288.05731	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	287.237
Annotation	Retinol
Peak:m/z	Relative Intensity
53.03933	0.8
54.16785	0.5
55.01861	1.3
55.05507	6.7
57.03423	0.7
57.07080	10.3
64.75552	0.6
67.05172	0.9
67.05508	14.6
68.99790	0.7
69.07069	8.2
71.04982	1.5
71.08635	7.2
79.05496	11.5
81.07066	14.9
83.04979	1.4
83.08631	4.4
85.06550	4.7
85.10201	3.7
91.05485	28.0
93.07047	13.0
95.04948	1.1
95.08613	11.6
97.06532	4.6
97.10158	1.5
99.08085	1.6
103.05463	1.0
105.04562	0.8
105.07037	44.5
105.96733	0.7
107.04947	0.8
107.08606	6.4
109.06532	1.3
109.10162	5.1
111.08075	2.3
115.05451	1.2
117.07024	16.8
119.08591	18.5
119.73393	0.7
121.02888	1.7
121.06525	0.8
121.10139	8.0
123.08014	0.9
123.11713	1.0
127.68722	0.6
128.06212	2.2
129.07010	13.0
131.08575	28.3
133.09132	0.9
133.10135	16.8
135.08041	2.4
135.11711	4.4
137.09631	2.0
137.13277	1.0
141.06985	1.0
142.07780	2.2
143.08571	11.6
145.10120	14.6
147.08063	2.7
147.11697	7.1
149.09613	2.3
149.13298	2.2
153.01830	3.9
155.08522	0.7
156.09383	0.8
157.10124	15.4
159.11691	6.7
161.09641	6.9
161.13258	6.9
163.11229	1.2
163.14821	1.7
165.01855	0.6
169.10222	1.0
170.10919	0.8
171.11679	15.6
173.11905	0.8
173.13277	6.1
173.96506	0.7
175.11180	6.0
175.14827	6.0
177.16406	2.3
177.18687	0.6
183.02855	1.0
183.11719	1.0
185.13255	12.7
187.14813	5.2
189.12726	2.6
189.16382	7.9
191.17978	0.9
199.14809	6.9
201.16418	4.1
203.14301	2.4
203.17963	13.6
205.15868	1.9
213.05478	1.7
213.16376	5.2
215.17996	2.3
217.15842	1.3
222.39258	0.6
227.17932	3.2
241.19551	2.4
243.21136	6.5
245.22729	0.8
250.46951	0.7
259.20642	2.1
259.24243	3.2
269.22641	37.2
287.02213	0.7
287.05515	32.8
287.23703	100.0
288.05957	1.2
288.23993	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2371
Annotation	Retinol
Peak:m/z	Relative Intensity
53.03938	1.7
55.01858	1.1
55.05518	8.7
55.38299	0.8
57.03429	1.1
57.07083	12.5
65.03905	0.8
67.05168	1.3
67.05510	17.4
69.07072	7.4
69.08818	0.7
69.43766	2.1
69.44177	4.5
71.04993	1.2
71.08636	7.3
76.64964	1.0
79.05502	14.3
81.06586	1.0
81.07066	17.8
83.04987	2.0
83.08627	4.6
85.06529	3.4
85.10191	4.7
91.05488	29.0
93.07059	15.5
95.04980	2.4
95.08616	14.7
95.09174	1.6
96.45060	0.8
97.06559	5.8
97.10171	1.3
99.08086	1.5
105.07040	54.6
105.38700	0.8
107.08589	8.6
109.06509	1.2
109.10184	5.2
111.08097	2.4
115.05448	1.7
116.06224	1.1
117.07031	20.9
119.08585	19.1
121.02853	1.6
121.10153	10.1
123.08086	2.4
123.11721	3.0
128.06233	3.5
129.07022	16.5
130.07671	0.8
131.08586	33.5
133.06523	1.6
133.10139	18.8
135.08078	3.1
135.11684	5.2
137.09619	1.3
137.13260	1.0
142.07796	3.5
143.08577	11.5
145.10149	18.9
147.08060	3.1
147.10616	1.4
147.11691	10.6
149.09613	2.3
149.13234	2.2
153.01822	4.0
157.08936	1.4
157.10146	18.0
159.11702	9.3
161.09642	7.5
161.13258	5.3
163.11249	1.2
163.14812	1.9
163.25679	0.9
165.05489	0.9
167.14224	0.8
171.11700	17.4
173.13258	7.6
175.11201	5.4
175.14841	6.2
177.16389	2.3
185.06055	1.0
185.13298	13.0
187.14798	7.9
189.12759	2.8
189.16432	8.2
191.17969	1.7
195.53923	0.8
199.14876	7.6
201.16382	4.3
203.14359	1.3
203.17987	20.6
205.24591	0.8
213.05440	1.4
213.16418	5.4
215.17966	2.3
217.15939	1.6
218.61069	0.8
227.17906	4.3
231.06558	0.9
241.19412	2.0
243.21039	4.6
259.20480	2.2
259.24182	3.1
263.25027	0.9
269.22662	38.1
287.05533	27.9
287.23697	100.0
288.05884	1.3
288.24207	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2371
Annotation	Retinol
Peak:m/z	Relative Intensity
53.03925	0.8
55.01866	1.1
55.05266	0.5
55.05518	6.4
57.03432	0.5
57.06813	0.7
57.07079	8.8
58.08180	0.4
65.03934	0.9
67.05510	14.9
68.99781	0.7
69.07069	7.4
70.51220	0.4
71.04981	1.3
71.08640	6.8
73.64545	0.5
79.05059	0.8
79.05499	10.6
81.07065	13.1
83.04975	2.0
83.08629	4.0
85.06539	3.8
85.10183	3.6
89.60384	0.5
91.05486	26.8
93.07055	12.0
95.04971	1.7
95.08612	12.5
97.06536	4.8
97.10162	1.8
98.21528	1.1
98.98474	0.6
99.08109	1.2
103.05489	0.8
105.07037	39.7
107.04912	0.9
107.08599	7.8
109.06495	0.9
109.10161	5.0
111.00889	0.5
111.08089	2.6
113.09643	0.5
115.05446	1.4
117.06205	1.0
117.07027	16.4
119.08590	19.6
121.02840	1.3
121.10155	8.1
123.08069	1.3
123.11710	2.0
125.09623	0.7
127.67019	0.5
128.06219	2.6
129.07021	14.5
131.08577	28.4
133.06613	0.5
133.10139	16.9
135.08080	2.9
135.11717	4.8
137.09647	1.6
137.13278	1.3
138.80513	0.6
141.06961	0.7
142.07770	2.0
143.07481	0.8
143.08566	12.1
144.09416	0.5
144.69516	0.5
145.10136	14.4
147.04430	0.7
147.08090	3.2
147.11685	9.3
149.09633	2.5
149.13240	1.5
153.01819	2.2
156.09387	0.6
157.10136	14.5
159.07921	0.5
159.11700	6.8
161.09625	7.1
161.13277	7.0
163.11214	1.2
163.14816	1.5
165.01875	1.3
167.14320	0.7
169.10118	1.1
170.10884	0.7
171.11710	16.6
173.13268	6.0
175.11205	5.5
175.14830	6.4
177.12823	0.6
177.16444	2.5
183.11681	0.9
184.12590	0.6
185.13261	13.1
187.14854	6.1
189.12750	3.4
189.16396	8.1
189.17926	0.9
191.14320	0.9
191.17953	1.5
195.52548	0.5
199.14819	5.7
201.16391	3.8
203.14334	2.2
203.17972	16.7
205.15877	1.2
213.05464	0.8
213.16367	5.6
215.17993	2.3
217.15871	0.8
227.17949	3.0
229.19458	0.5
241.19531	3.1
243.21120	4.4
245.22736	0.7
258.05402	0.8
259.20532	1.6
259.24252	3.3
269.22662	37.0
274.77042	0.6
287.05527	23.2
287.23712	100.0
288.05951	1.4
288.24054	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.237
Annotation	Retinol
Peak:m/z	Relative Intensity
53.03946	1.3
55.01869	1.4
55.05516	7.2
57.03421	0.6
57.07078	10.1
65.03942	0.7
67.05168	0.9
67.05508	15.2
69.07072	6.6
69.92874	2.5
70.70072	0.5
71.04985	1.4
71.08637	6.3
79.05058	0.8
79.05500	11.8
81.06589	0.5
81.07063	13.6
83.04968	1.5
83.08629	4.0
85.06559	4.5
85.10199	3.7
91.05486	29.3
93.07048	11.8
93.92679	0.4
95.04974	1.5
95.08040	0.8
95.08615	11.5
97.06540	4.4
97.10153	1.4
97.47457	0.4
99.08085	1.1
103.05507	0.7
105.03407	0.4
105.07038	44.9
107.04948	0.9
107.08607	6.2
109.06475	0.9
109.10172	4.3
111.08096	2.8
113.09693	1.0
115.05434	1.2
116.06254	0.7
116.11517	0.4
117.07027	17.4
119.08587	18.2
121.02825	0.7
121.10151	8.3
123.08067	1.3
123.11700	2.2
125.09613	0.8
128.06187	2.6
129.07014	14.5
130.07790	0.7
131.08578	28.5
133.06508	0.5
133.10141	15.7
135.08063	2.5
135.11707	4.1
137.09622	1.5
137.13254	1.2
142.07745	2.3
143.08585	11.3
145.10136	15.7
147.08054	3.5
147.11688	8.6
149.09622	2.2
149.13280	2.0
151.11235	0.7
151.14777	0.6
153.01886	0.7
155.08527	0.8
156.09370	0.8
157.10141	14.3
159.11714	6.6
161.09598	7.0
161.13264	5.2
163.11156	0.6
163.14818	1.4
165.12759	0.6
169.10214	0.7
171.11714	16.5
173.13263	5.9
175.11197	7.0
175.14819	6.3
177.16399	1.9
183.11760	0.7
184.12529	0.6
185.13274	12.1
187.14803	5.4
189.12747	3.5
189.16380	8.0
191.17935	0.7
199.14841	7.4
201.16324	3.3
203.14322	2.1
203.17970	14.3
205.15898	1.2
213.16438	4.9
215.17970	2.6
217.15868	1.2
219.17444	0.7
227.17961	2.1
231.17485	0.8
241.19568	2.0
243.21112	5.9
259.20642	1.7
259.24316	3.0
269.22659	37.0
270.23022	1.1
287.05530	6.9
287.23709	100.0
288.24088	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	287.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	2.2
55.05513	67.9
57.03440	36.1
57.07075	23.3
67.05513	24.6
69.07072	100.0
71.04977	5.9
71.08616	9.8
73.06554	3.6
75.22987	2.1
79.05502	25.5
81.06638	3.6
81.07063	43.4
83.04961	5.7
83.08630	50.8
85.06533	6.9
85.10173	5.2
91.05476	5.0
93.07047	24.3
94.60477	2.1
95.08618	44.7
96.74318	2.4
97.06538	17.6
97.10183	42.9
99.08103	5.3
101.06000	4.6
105.07036	4.9
106.15440	2.3
107.08591	16.8
109.10177	14.7
111.08062	12.4
111.11700	9.1
111.40837	2.1
115.07542	5.4
117.24329	2.3
121.10152	36.8
123.11708	5.4
125.09662	11.8
131.08522	2.9
133.10080	3.2
135.11720	25.1
139.11151	8.8
143.08575	2.2
149.13246	2.7
153.12762	7.7
175.71609	2.2
177.06725	6.5
177.16397	34.4
195.17467	26.5
213.18410	4.3
239.67371	2.6
269.21106	11.8
287.05505	25.7
287.22174	95.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.7
55.01878	1.5
55.05514	41.2
57.03439	20.5
57.07072	11.0
59.05001	1.8
67.05166	1.6
67.05505	22.2
68.99783	3.6
69.03427	2.2
69.07070	56.5
69.44723	7.4
70.94514	1.1
71.04990	2.8
71.08637	5.1
73.06544	2.3
79.05494	14.2
81.07062	30.6
83.04982	4.0
83.08625	29.8
85.06541	3.6
85.10172	2.1
91.05498	5.8
93.07046	21.1
95.04977	2.9
95.08608	41.5
97.06536	13.1
97.10172	24.7
98.21507	1.7
99.08088	3.7
105.07037	6.5
107.08598	16.9
109.02894	1.2
109.06500	1.0
109.10155	14.3
111.00766	0.9
111.08101	7.8
111.11726	6.9
113.09634	2.2
115.07580	1.4
117.07038	2.2
119.08611	5.5
121.02859	5.7
121.10152	35.3
123.08074	1.3
123.11723	3.7
125.09638	6.4
128.06210	1.7
129.07001	1.7
129.09093	1.0
131.08557	3.9
133.02803	0.9
133.10139	4.4
135.08101	1.0
135.11710	14.7
137.02335	1.4
137.09625	1.3
139.11192	2.1
143.08569	1.2
143.10611	1.1
145.06476	1.1
145.10115	3.6
147.04436	1.8
147.11687	2.1
149.09631	1.8
149.13271	2.3
153.01834	8.1
153.07005	2.4
153.12695	1.4
155.08542	2.7
157.06511	2.3
157.10118	2.9
159.11691	5.0
161.06032	1.3
161.13251	2.1
165.01836	1.4
165.06952	0.9
171.04420	1.7
171.11681	2.6
173.13307	3.0
175.04013	1.4
177.16396	33.6
183.02802	1.1
185.05943	1.2
185.13330	2.1
187.14853	1.5
195.17450	24.9
199.14835	1.2
201.16380	2.2
213.05450	4.8
213.12679	1.5
213.16292	2.0
213.18512	2.6
214.48650	1.0
224.96582	1.0
227.06982	2.6
241.04939	1.2
241.19571	1.9
245.04485	1.7
255.06517	3.1
258.05255	2.2
269.18915	1.5
269.21112	14.2
287.05511	100.0
287.16339	1.7
287.22232	44.2
288.05789	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.6
55.01853	2.7
55.05515	78.1
57.03442	35.6
57.06833	1.6
57.07078	21.7
59.04992	1.6
65.89458	1.4
67.05183	2.4
67.05507	31.3
69.03411	1.8
69.07072	100.0
69.23972	8.4
69.24396	6.8
69.65201	1.4
71.04983	3.9
71.08636	10.5
73.06535	4.0
79.05508	19.9
81.07060	46.7
81.11782	1.5
83.05000	7.1
83.08624	57.2
85.06516	4.7
85.10152	5.4
91.05454	5.4
92.32735	1.4
93.06477	1.8
93.07050	30.3
95.04967	1.6
95.08611	52.1
97.06535	17.9
97.10175	41.0
99.08058	2.4
101.05965	3.3
104.05277	1.3
105.07002	6.7
107.07983	1.7
107.08610	24.7
109.06520	1.4
109.10169	22.9
111.08085	13.8
111.11736	10.2
115.07581	2.5
117.06992	1.8
119.08546	4.8
121.02876	1.9
121.10159	33.9
123.11679	6.6
125.09644	12.3
129.09055	3.5
131.08559	2.0
133.10104	6.1
135.11700	23.3
139.11203	10.4
143.10646	1.8
143.84242	1.5
145.10052	4.4
147.11644	3.0
149.13231	4.4
151.11191	1.8
153.01805	2.3
153.12746	5.7
157.10115	2.2
159.11731	3.6
163.14793	1.8
171.11685	2.9
175.14774	2.6
177.16393	31.9
195.17432	18.9
213.16359	3.0
213.18359	1.8
214.49281	1.9
226.99503	1.5
269.21078	6.5
280.94351	1.8
287.05469	28.6
287.22089	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.4
55.01866	3.2
55.05516	83.7
57.03190	1.8
57.03443	32.2
57.07082	21.0
59.04996	2.1
67.05170	2.3
67.05510	34.0
68.64433	1.3
68.99790	1.9
69.03425	2.4
69.07074	100.0
70.28270	3.2
70.28613	2.9
71.04987	3.9
71.08636	9.3
73.06555	4.3
75.01688	1.2
75.04465	2.3
79.05499	24.5
81.07065	46.4
83.04982	6.1
83.08628	57.2
85.06541	5.1
85.09723	1.6
85.10178	6.6
91.05477	8.9
92.71681	1.4
93.07055	37.4
95.04996	2.4
95.08614	64.6
97.06544	18.3
97.10181	40.6
99.08100	4.8
101.06004	3.3
105.07043	18.5
107.04941	1.6
107.08598	28.4
109.06528	1.7
109.10168	29.2
111.00776	1.8
111.08103	14.8
111.11729	10.7
113.09606	2.0
115.07603	3.6
117.07038	1.9
119.08583	11.2
121.02855	5.7
121.09305	3.0
121.10145	41.4
123.11723	7.3
125.09641	14.6
125.13329	1.4
129.06998	1.6
129.09103	2.4
131.08563	6.2
132.99796	1.4
133.02881	2.1
133.10135	6.7
135.11708	25.1
137.02370	1.6
137.13280	2.9
139.11182	11.1
140.39014	1.5
143.08554	4.4
143.10625	1.8
145.10110	9.0
147.11673	4.7
149.09634	2.2
149.13280	3.8
153.01823	9.6
153.12735	3.7
153.16374	1.9
157.10095	4.2
157.12177	1.8
158.76382	1.5
159.11687	6.5
161.09576	1.5
161.13252	3.9
165.01765	2.1
171.11667	5.8
173.13287	5.3
175.14880	3.0
177.16402	33.2
185.13255	2.4
187.14877	2.5
195.17479	17.6
199.14833	3.8
213.05487	1.4
213.16336	4.5
213.18382	3.4
231.06709	1.5
241.04967	2.7
241.19504	9.5
243.21223	1.7
269.18753	3.0
269.20834	7.5
287.05521	86.9
287.16257	3.1
287.22266	88.1
288.05936	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.3
55.05519	67.0
57.03186	3.4
57.03442	37.8
57.07092	22.3
67.05517	27.7
69.07076	90.9
71.05003	4.2
71.08620	9.6
71.57196	3.5
73.06547	4.0
79.05498	16.4
81.07056	39.6
81.91393	3.2
83.04952	4.2
83.08627	50.9
85.06528	6.1
85.10172	3.0
91.05480	4.8
93.07063	24.8
95.08624	43.0
97.06540	22.2
97.10178	34.0
99.08083	4.1
105.07005	4.1
107.08607	24.6
109.10194	17.0
110.04615	2.7
111.08131	13.2
111.11711	11.7
121.10151	29.4
123.11713	4.9
125.09624	11.4
135.11713	18.8
139.11150	9.2
149.13332	6.0
153.01845	6.6
153.12759	3.8
159.11604	3.2
167.14305	4.0
177.16382	34.8
195.17456	17.8
213.18359	4.1
231.15976	6.3
269.06870	2.8
269.17459	2.7
269.20972	7.5
275.32520	3.3
287.05527	49.5
287.18954	4.7
287.22153	100.0
304.66547	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	287.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
53.42073	0.4
55.01860	1.4
55.05513	10.5
57.03439	5.8
57.07079	2.3
59.05000	0.5
60.17775	0.3
61.31939	0.3
63.00033	0.6
65.03937	0.3
65.74297	0.3
67.05507	9.9
67.67499	0.3
68.99793	3.1
69.03409	1.0
69.07071	14.6
70.06591	0.4
71.04976	1.4
71.08611	0.7
71.56924	0.5
73.06547	0.8
79.05065	0.4
79.05502	6.6
81.03425	0.7
81.07063	14.3
83.04981	2.0
83.08626	12.9
85.02877	0.4
85.06535	1.4
85.10203	0.5
86.09681	0.6
91.05479	3.6
93.07053	11.7
95.04964	0.8
95.08611	9.7
97.02893	0.5
97.06530	5.5
97.10175	3.9
98.98435	0.9
99.08090	1.0
101.06013	0.7
103.05460	0.5
105.03388	1.1
105.07030	3.4
107.04936	1.2
107.08603	9.9
109.02858	0.7
109.06535	0.6
109.10156	5.9
111.00799	1.4
111.04419	0.7
111.08094	4.1
111.11728	0.4
115.07561	0.7
116.98680	0.4
117.07033	1.7
119.08575	3.5
121.02877	6.2
121.03754	0.6
121.06473	0.6
121.10155	6.2
123.04439	0.4
123.08089	0.6
123.11720	2.8
125.09624	2.1
125.13260	0.7
127.11219	0.3
129.06996	1.4
129.09062	0.6
131.08575	2.6
133.02834	0.8
133.10124	2.8
135.08046	0.7
135.11703	3.6
137.02330	1.9
137.09666	0.3
137.13264	0.6
137.21617	0.3
142.07726	0.4
143.08524	0.9
145.06488	0.9
145.10141	1.7
147.04427	1.6
147.08127	0.4
147.11642	1.8
149.09608	0.8
149.13263	14.3
151.11194	0.5
153.01839	10.4
153.12859	0.3
157.06467	1.1
157.10149	1.0
159.11694	4.1
161.05966	0.7
161.09627	0.5
161.13289	1.2
163.11232	0.4
163.14787	0.5
165.01845	3.2
165.09195	0.4
167.14322	7.1
171.04443	1.3
171.11710	1.1
173.13231	1.2
175.03935	0.4
175.07574	0.4
175.14761	0.8
177.12756	1.9
177.16405	0.9
183.02881	1.8
185.06013	1.4
185.13263	1.0
185.15384	0.5
187.11182	0.4
187.14848	0.9
189.05507	0.4
189.16405	0.5
191.07068	0.3
191.10629	0.5
195.13795	1.4
195.17363	0.5
199.03944	0.8
199.14787	0.8
201.16463	1.2
203.03246	0.6
206.04527	0.4
213.05504	3.8
213.14708	0.7
213.16418	0.9
215.18008	0.9
217.05141	0.5
227.14249	0.4
227.18010	0.5
231.06624	2.0
231.15907	15.7
233.18919	0.8
241.04968	1.8
245.04468	0.6
251.20120	3.1
258.05176	2.6
259.05984	0.6
269.04535	0.5
269.09958	1.0
269.17520	0.6
269.23013	1.7
287.05518	100.0
287.18607	12.3
287.23782	4.4
288.05865	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82182	0.5
53.03930	1.7
55.01858	1.8
55.05264	0.9
55.05514	15.2
57.03439	10.5
57.07078	4.7
59.04989	0.9
65.03919	0.7
65.60625	0.6
67.05171	0.9
67.05508	13.5
68.99802	3.1
69.03419	1.3
69.07071	26.2
70.96759	1.2
71.05001	3.6
71.08608	2.0
79.03641	0.6
79.05496	9.1
81.03378	0.9
81.07062	26.4
83.04978	2.6
83.08139	1.3
83.08622	21.6
84.36034	0.6
85.01617	0.6
85.06527	1.7
85.10199	0.6
87.08125	0.6
88.24948	0.6
89.09763	0.5
91.05057	0.6
91.05489	6.6
93.06468	1.2
93.07051	23.1
93.50184	0.6
95.04939	1.5
95.08041	1.1
95.08611	13.3
97.06535	10.0
97.10181	4.2
99.04444	0.7
99.08097	1.5
101.06043	1.3
103.47227	0.6
105.03391	1.9
105.07031	4.9
105.48144	0.6
107.04947	1.6
107.08600	17.3
109.06527	1.1
109.10161	8.4
111.00807	2.2
111.08084	8.1
115.07558	1.1
117.07015	2.7
119.08578	5.0
119.74625	0.7
121.02876	7.2
121.06543	0.7
121.10144	8.1
123.11688	3.5
125.09615	2.8
125.13274	1.9
127.04036	0.6
129.07056	0.9
129.09126	1.0
131.08554	3.6
133.02908	1.0
133.10146	4.2
135.08055	1.5
135.11717	4.0
137.02330	1.9
143.08533	1.3
145.06444	1.1
145.10147	3.1
147.04373	1.7
147.11705	4.2
149.09631	0.9
149.13263	28.1
151.11133	0.9
153.01826	9.4
157.06509	1.4
157.10127	1.6
159.11714	7.5
161.13248	2.6
165.01860	2.9
165.08954	0.6
167.14319	13.1
171.04256	0.8
171.11685	1.6
173.13228	1.8
175.11145	1.0
175.14809	1.7
177.12749	2.3
177.16316	0.9
183.02902	1.9
185.06000	1.6
185.13411	1.3
185.15289	1.2
187.14801	1.2
189.16351	0.7
195.13811	2.5
199.03900	0.8
199.14816	1.0
201.16374	2.3
203.17960	0.8
213.05417	3.0
213.14799	1.1
213.16586	1.1
217.04982	0.6
227.17891	1.2
229.19582	0.9
231.06570	0.8
231.15909	30.7
241.04958	1.9
241.19510	0.7
245.04521	0.7
258.05313	2.7
259.06003	1.3
269.17621	2.0
269.22623	3.9
287.05515	100.0
287.18527	26.5
287.23471	11.4
288.05811	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	287.055
Annotation	Unknow
Peak:m/z	Relative Intensity
63.46553	0.2
65.03928	0.3
67.01880	0.3
68.99791	2.3
69.03439	0.3
71.08406	0.3
79.05488	0.7
79.58388	0.2
81.07044	0.4
91.05481	0.3
93.07048	0.4
95.04966	0.3
95.08592	0.2
105.03385	0.6
105.07034	0.6
107.04955	1.1
109.02876	0.9
110.55103	0.2
111.00822	1.3
111.04423	0.4
117.73987	0.2
119.08559	0.4
121.02875	5.7
121.03879	0.3
121.04051	0.3
121.10052	0.2
129.07045	0.5
133.02850	0.9
133.10107	0.2
137.02361	1.9
141.07008	0.3
145.06447	0.5
145.10138	0.3
147.04372	1.3
147.11700	0.2
151.03941	0.2
153.01834	9.9
157.06479	1.1
159.11720	0.2
159.50909	0.2
161.05994	0.2
165.01854	3.6
169.06583	0.2
171.04388	0.7
183.02924	1.5
185.05971	1.1
189.05457	0.4
201.16473	0.3
203.06972	0.3
213.05489	3.2
229.04990	0.4
231.06517	1.3
241.04919	1.6
243.06456	0.2
258.05295	2.4
259.05978	0.7
269.04486	0.4
271.25714	0.2
287.05502	100.0
288.05804	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.03942	0.3
57.12255	0.2
65.03938	0.2
67.01852	0.2
68.99802	2.3
69.03420	0.2
70.76931	0.4
79.05482	0.5
80.59888	0.2
81.03426	0.3
95.04996	0.2
102.35663	0.2
105.03423	0.9
107.04958	1.2
109.02885	0.6
111.00828	1.5
111.04484	0.2
117.06998	0.3
119.04936	0.2
121.02882	5.4
121.03872	0.3
121.04061	0.2
121.06479	0.2
121.38586	0.2
127.03909	0.3
129.07024	0.4
133.02893	0.9
135.04422	0.3
137.02344	2.0
141.07018	0.3
145.06482	0.6
147.04407	1.3
148.59978	0.2
153.01845	10.4
157.06509	1.5
161.05980	0.5
165.01857	3.5
171.04456	0.7
175.03871	0.4
183.02911	1.9
185.05991	1.0
189.05446	0.4
197.05989	0.2
203.06992	0.4
213.05510	3.1
214.12277	0.2
229.04915	0.6
231.06549	1.5
241.04996	1.5
253.96878	0.2
258.05203	2.1
259.06110	0.8
269.04456	0.4
269.12592	0.3
287.05524	100.0
288.05878	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.01904	0.2
56.66575	0.3
65.03922	0.5
65.86732	0.2
68.99794	1.8
69.47449	1.0
69.47869	0.8
78.09821	0.2
79.05511	0.4
82.72415	0.2
88.48131	0.2
105.03364	0.6
107.04959	1.0
109.02894	0.4
111.00813	1.1
121.02876	5.1
121.03853	0.3
129.07007	0.4
133.02837	0.8
135.93233	0.3
137.02359	1.6
140.95891	0.3
141.06987	0.3
145.06558	0.3
147.04384	0.9
147.37367	0.2
153.01839	8.2
157.06587	1.3
157.07619	0.3
161.05948	0.4
165.01842	2.8
169.06367	0.2
171.04408	0.6
183.02869	1.4
185.05983	0.9
197.06000	0.3
201.05569	0.3
213.05486	2.7
229.04991	0.7
231.06551	1.3
241.04918	1.4
243.06534	0.4
258.05295	2.4
259.06073	0.7
269.04401	0.5
270.05396	0.3
287.05508	100.0
288.05917	1.3
293.23999	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Luteolin
Peak:m/z	Relative Intensity
59.62103	0.2
62.62191	0.2
65.03942	0.2
67.01861	0.4
68.99474	0.2
68.99798	1.9
69.03430	0.2
70.71072	0.3
79.05487	0.5
81.03421	0.4
103.05472	0.3
105.03391	0.8
106.57793	0.2
107.04968	1.2
109.02872	0.5
111.00807	1.5
111.04456	0.4
121.02003	0.3
121.02878	6.2
121.03873	0.3
127.03941	0.3
129.06973	0.3
133.02869	1.0
135.04407	0.4
137.02333	1.8
145.06485	0.6
147.04382	1.1
153.01839	10.1
153.67311	0.2
157.06494	1.2
161.05966	0.4
165.01852	4.1
171.04419	0.7
183.02948	1.9
185.05975	1.1
189.05516	0.3
197.06007	0.2
197.53236	0.2
203.03394	0.2
213.05484	2.7
229.05022	0.4
231.06577	1.3
241.04942	1.8
243.06601	0.2
258.05234	2.1
259.06021	0.7
269.04416	0.4
271.31213	0.2
287.05511	100.0
288.05875	1.1
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
53.03951	0.2
65.03949	0.3
67.01859	0.3
68.99437	0.1
68.99795	2.2
69.03415	0.2
70.70786	0.2
70.71130	0.1
72.25330	0.1
79.05492	0.5
81.03415	0.3
82.54966	0.1
91.05504	0.1
95.01345	0.2
95.04989	0.3
97.02881	0.1
103.05463	0.3
105.03374	0.8
107.04973	1.0
109.02888	0.5
111.00814	1.2
111.04467	0.4
111.97412	0.1
115.05450	0.3
119.04925	0.2
121.02879	6.1
121.03863	0.2
128.06219	0.2
129.06996	0.3
133.02881	0.8
133.06461	0.2
135.04420	0.3
137.02341	1.9
141.06970	0.2
145.06497	0.5
147.04437	1.1
153.01837	9.7
157.06511	1.3
157.76701	0.1
161.06012	0.3
165.01859	3.5
171.04420	0.5
175.07565	0.1
183.02899	1.4
185.05983	1.0
189.05443	0.3
197.06006	0.2
199.03885	0.2
203.03412	0.2
203.07121	0.4
212.04597	0.1
213.05472	2.6
217.04971	0.2
229.04962	0.4
231.06511	1.0
241.04955	1.6
243.06592	0.3
258.05240	1.9
259.06079	0.6
269.04617	0.3
287.05511	100.0
288.05817	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.2
60.29294	0.2
61.92233	0.2
65.03946	0.3
67.01885	0.2
68.35999	0.2
68.99793	1.8
69.03436	0.2
71.11552	0.2
71.11913	0.4
79.05479	0.3
81.03416	0.4
86.53266	0.2
95.04974	0.2
103.05447	0.2
105.03410	0.8
107.04973	1.0
109.02876	0.6
111.00819	1.3
115.05458	0.2
121.02874	5.3
127.03880	0.2
129.07016	0.5
133.02827	0.6
135.04416	0.2
137.02348	1.8
140.53964	0.2
145.06511	0.5
147.04420	1.3
153.01828	8.6
153.17030	0.2
154.02216	0.2
157.06450	1.3
161.06027	0.3
165.01859	2.9
171.04416	0.7
183.02907	1.1
185.05949	1.0
203.07176	0.2
213.05486	2.5
216.04221	0.2
229.05119	0.2
231.06514	0.9
241.04955	1.4
258.05255	1.9
259.06024	0.6
269.04407	0.2
287.05508	100.0
288.05771	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02994	0.4
52.28064	0.4
69.84109	2.7
71.14028	0.5
95.74483	0.4
98.20999	1.2
98.97581	1.2
98.98467	0.5
101.00892	3.7
102.00970	0.6
103.00636	1.2
116.98682	1.0
119.01941	15.7
120.02030	2.7
121.01668	5.6
134.99828	0.8
137.02966	5.3
137.99756	0.6
138.03130	0.6
139.02704	1.4
140.98933	0.6
142.03520	1.5
153.00922	1.1
158.99910	0.9
169.59000	0.5
172.94373	0.8
176.00270	1.1
177.00975	17.6
178.01038	1.7
179.00708	11.1
180.00836	10.3
182.03662	0.6
190.95432	1.4
199.04526	1.0
200.00128	0.8
200.04662	1.7
201.01007	0.7
204.00940	0.7
208.52214	0.5
208.96460	0.5
217.99292	0.9
218.01262	12.3
219.02026	15.2
219.03856	1.3
220.02286	0.8
220.04018	3.0
221.01813	12.9
222.01933	17.5
223.01775	0.6
227.00726	1.1
227.98674	0.8
228.00922	2.0
232.96492	0.8
233.03627	1.1
234.54926	0.5
238.99530	0.9
240.98170	2.9
242.96133	0.4
245.01512	3.1
245.03928	0.6
245.99458	1.6
246.02014	7.9
250.00217	2.5
250.97626	0.5
261.02948	1.1
262.03281	1.7
263.00150	0.3
263.02859	40.0
264.00464	37.1
264.03070	100.0
265.02789	1.6
266.03503	0.5
277.04459	0.6
278.04657	1.7
279.12494	0.8
281.00647	1.5
281.98486	0.8
282.01614	11.9
286.04373	0.8
286.99533	2.8
287.02109	3.1
287.04980	4.4
289.54105	0.5
305.00711	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	286.0923
Annotation	N-(beta-D-glucosyl)nicotinate
Peak:m/z	Relative Intensity
53.03945	0.5
56.96567	0.3
57.03428	0.4
63.24833	0.2
69.03429	1.3
69.07099	0.2
69.89394	1.2
70.06618	0.2
73.02922	0.4
77.00880	0.2
78.03462	2.3
79.12955	0.2
80.05026	3.4
81.03433	1.4
85.02907	4.1
86.09666	0.2
91.05483	0.2
96.04493	2.6
97.02883	1.1
98.21388	0.3
98.97581	0.2
99.04462	0.5
106.02925	12.5
109.02868	1.6
115.05463	0.2
116.98633	0.4
119.04953	0.6
124.03961	100.0
125.04285	0.3
127.03920	1.9
133.06436	0.4
134.99594	0.3
145.04965	0.4
147.04425	0.6
153.30502	0.2
166.05118	0.2
168.02713	0.8
179.05537	1.5
181.03497	0.9
183.05115	0.3
186.03737	0.4
193.03506	2.4
194.03517	0.4
197.06621	3.3
199.04457	0.4
205.03468	1.0
209.06644	0.5
211.04572	0.5
215.07732	0.4
219.05029	2.1
220.08218	0.4
221.03017	0.8
223.04550	2.6
237.06068	3.1
241.05620	2.7
246.06114	3.2
250.07126	4.4
263.03940	3.2
264.07220	4.4
268.08188	2.4
276.94308	0.3
280.97415	0.4
281.05005	0.7
286.09235	33.9
287.05682	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.3
56.96555	1.3
57.03435	0.4
61.02934	0.3
69.03432	1.1
69.07066	0.3
70.06598	0.6
70.46358	0.7
78.03448	1.2
80.05027	2.7
81.03425	1.4
85.02907	2.8
86.09717	0.2
86.38512	0.2
95.05013	0.3
96.04484	2.6
97.02908	1.0
98.97587	1.0
99.04502	0.3
103.61932	0.2
106.02924	7.6
106.06564	0.7
109.02885	1.5
110.07150	0.4
116.98621	1.2
119.04959	0.9
120.65568	0.2
123.04428	1.2
124.03960	100.0
124.07521	1.3
125.04295	0.4
127.03942	1.2
131.04970	0.3
132.47272	0.2
133.06500	0.3
134.99673	0.9
145.04987	0.4
147.04439	0.9
153.00684	0.2
153.05467	0.3
158.99651	0.4
162.05428	0.6
165.05554	0.5
168.02696	0.9
177.04147	0.3
179.05521	2.4
181.03526	1.9
183.05020	0.4
186.03790	0.3
193.03473	2.4
194.03709	0.4
197.06606	3.8
199.04581	0.3
205.03491	1.3
207.05066	0.3
209.06662	0.4
211.04620	0.8
214.06323	0.2
215.07677	0.6
218.04312	0.4
219.05023	2.8
220.08171	0.4
221.03009	1.0
223.04532	3.8
228.05023	0.4
231.01894	0.3
233.03101	0.3
237.06075	3.3
241.05568	3.9
245.02985	0.3
246.06134	4.8
250.07103	1.8
258.03516	0.3
263.03897	3.4
264.07190	7.9
268.08118	1.1
269.07553	0.3
280.97464	0.3
281.04703	1.5
286.09216	30.7
287.05566	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96574	14.5
57.03430	2.1
58.69355	1.2
58.99870	2.6
61.02914	3.1
64.77993	1.3
69.03429	7.2
69.96905	7.4
70.06593	11.6
72.93790	1.4
73.02936	1.8
77.00941	1.8
80.05028	3.5
81.03413	3.0
84.96026	1.9
85.02910	13.3
87.04459	2.0
91.05475	2.9
96.03792	1.1
96.04488	2.5
97.02897	4.4
98.20933	2.6
98.21484	1.8
98.97591	10.2
101.00880	1.9
103.05494	1.5
106.02909	3.8
106.06554	8.0
107.04938	3.3
109.02864	3.3
110.88731	1.3
112.07609	9.8
116.98639	7.7
118.03568	1.7
119.01933	4.3
119.04939	12.9
123.04420	2.7
124.03966	100.0
124.07597	14.6
127.03909	2.4
128.98605	1.6
130.93263	2.4
131.04922	4.2
131.45641	1.5
133.06487	6.7
134.99702	6.8
136.06157	5.5
137.06625	1.5
140.07036	6.1
143.01920	1.9
145.04906	1.5
147.04404	10.6
147.24684	1.4
153.05431	1.9
157.03479	1.9
159.04419	2.1
161.01208	1.5
161.03040	3.0
161.04492	1.7
163.02600	1.9
163.03906	3.2
165.04008	2.9
165.05391	1.8
168.02684	11.9
169.03366	1.6
171.05058	2.1
173.03065	1.5
174.04320	2.4
175.02458	2.3
177.00813	2.2
179.00729	5.2
179.05533	27.1
181.03490	22.4
183.05067	4.3
186.03923	6.1
187.02609	1.8
189.00746	1.7
190.95369	2.4
191.01846	1.6
191.05534	4.2
192.02217	1.7
193.03487	33.0
194.03708	9.6
195.05106	2.6
196.05200	3.3
197.06613	55.5
199.04549	12.5
201.03932	1.7
203.02016	2.0
204.05383	4.4
205.03465	18.8
207.05046	5.4
209.03014	4.3
209.06638	14.0
210.03238	8.4
211.04527	6.1
211.08119	4.7
212.04758	2.8
214.06285	1.6
215.07761	2.9
217.05301	2.3
218.04250	3.4
219.01759	2.2
219.05042	26.8
220.02214	2.0
220.08163	5.1
221.03011	27.3
222.03220	2.2
223.04536	49.0
225.06032	1.8
227.07675	3.1
228.05203	4.2
235.04742	1.6
237.00963	3.9
237.06087	35.3
239.01997	2.0
239.04031	5.2
240.02226	2.5
240.04318	4.4
241.05602	64.8
245.02899	2.8
246.06152	79.5
250.10738	1.6
251.04437	1.9
253.05634	1.9
255.07141	7.3
257.02942	2.1
257.05341	3.5
258.05548	14.3
260.07703	3.1
260.11343	2.1
262.05759	2.6
263.03839	39.0
264.07211	80.9
269.07751	4.0
278.08926	3.0
278.12448	3.5
280.06754	1.8
281.05002	21.2
281.07214	10.2
286.05685	4.9
286.09244	18.3
287.11179	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2425
Annotation	Tanikolide
Peak:m/z	Relative Intensity
54.76352	1.7
55.05512	15.8
57.03180	2.7
57.03441	30.1
57.07080	78.2
59.65634	2.2
63.00052	2.6
67.05510	21.5
69.06774	1.8
69.07077	20.5
71.08637	52.3
71.57074	2.6
71.93319	1.8
79.05495	4.7
81.07068	27.0
83.08624	11.0
85.06578	2.7
85.10188	24.6
89.06028	6.7
91.05486	5.6
93.07043	7.6
95.08612	36.9
97.06548	2.3
97.10206	8.2
97.14391	1.8
98.98446	2.5
103.07598	6.3
105.07040	6.5
107.08604	3.7
109.10158	18.0
111.11747	6.5
113.06037	2.3
117.07028	6.4
119.08596	3.2
121.10155	3.9
123.11716	7.0
128.06241	2.0
129.07016	4.4
131.08591	14.1
133.10149	3.4
134.44420	2.1
137.13290	2.3
141.07007	4.7
143.08615	2.0
145.10144	5.4
145.52199	2.0
147.11662	3.1
155.08565	2.7
157.10127	4.8
159.11719	4.9
161.13248	2.0
169.10138	5.5
171.11711	2.1
173.09731	2.0
173.13235	4.7
175.11034	1.5
183.11711	4.9
183.22256	1.9
185.13167	1.9
187.14844	2.7
201.12814	2.2
201.16434	3.8
211.20543	10.0
222.96883	2.1
225.16422	2.2
229.21603	10.0
241.19511	2.9
257.22635	3.9
267.21094	12.6
269.58936	2.1
285.18463	3.7
285.24487	100.0
285.29755	8.4
286.30954	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	285.2213
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
55.05512	25.6
57.03434	4.7
57.07069	7.7
66.45026	3.5
67.05516	30.6
69.07075	66.6
69.23848	6.1
69.24204	40.7
71.04991	10.7
71.13827	3.5
71.59434	4.1
79.05479	18.4
81.03424	4.3
81.07065	46.3
83.04966	5.5
83.08625	10.6
85.02900	4.3
85.41730	3.7
91.05479	30.5
93.07034	31.7
95.04977	18.5
95.08611	51.2
97.06546	21.1
97.10178	7.7
105.07031	79.2
107.08606	49.6
109.06528	32.1
109.10162	35.3
111.08070	10.7
117.07056	8.6
119.08590	100.0
121.06499	15.4
121.10153	39.1
123.11707	22.5
129.06987	6.5
131.08586	19.6
133.06499	4.0
133.10139	58.5
135.08047	13.8
135.11710	18.8
137.09572	8.1
137.13245	3.7
143.08556	10.7
145.10112	26.7
146.07256	6.6
147.11687	28.2
149.13310	6.3
155.08607	7.6
157.10135	17.0
159.08090	3.9
159.11720	17.0
161.09633	96.5
161.13312	5.0
163.14792	6.1
169.10028	8.3
170.10944	4.1
171.11678	15.2
173.09808	3.9
173.13303	10.2
175.11241	7.8
175.14830	77.9
177.16399	13.0
183.11679	10.6
185.13284	12.5
187.14804	5.1
189.16362	5.0
193.12247	8.4
193.15858	9.4
197.13269	12.8
201.12558	4.0
211.14816	14.5
215.17955	4.4
233.89587	3.5
267.21103	16.5
278.83188	3.8
285.17041	3.8
285.22025	48.9
285.29840	6.8
285.33395	7.1
290.69550	4.4
309.46603	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	285.2213
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
54.29698	0.7
55.01844	1.0
55.05517	7.2
56.97639	0.8
57.03419	1.1
57.07069	2.5
62.51121	0.7
65.03938	1.0
67.05173	1.0
67.05511	16.5
69.07083	6.1
69.38006	7.1
70.99064	0.7
71.04994	1.4
79.05499	10.2
81.07064	14.7
83.04970	1.2
83.08614	3.5
85.06538	3.1
91.05491	12.5
93.07059	11.1
95.04974	1.3
95.08613	12.8
97.06519	3.1
97.10184	0.9
99.08035	0.8
102.04102	0.9
103.63060	0.8
105.07035	14.3
107.08599	7.8
109.10169	6.2
111.08096	1.4
115.05432	1.0
117.07037	17.0
119.08592	9.1
121.10149	6.0
123.08079	1.4
128.06238	3.1
129.07022	19.1
131.08580	29.0
133.10136	6.5
135.08101	1.9
135.11696	4.5
137.09647	1.2
141.07004	7.1
142.07753	2.6
143.08591	10.1
144.09383	1.2
144.70291	0.9
145.10132	23.9
146.97461	1.0
147.08090	1.5
147.11693	6.0
149.09615	2.2
149.13246	2.8
154.07787	1.0
155.08557	6.4
156.09308	0.9
157.10143	12.6
158.10880	1.1
159.08049	2.2
159.09520	0.8
159.11716	16.1
161.09618	2.0
161.13289	3.1
163.11191	1.4
164.98445	2.1
168.09314	0.9
169.10167	8.9
170.10870	0.8
171.11717	13.4
173.09602	2.9
173.13293	13.5
173.14668	1.7
173.89920	0.7
175.11275	2.0
175.14821	3.5
183.11717	12.0
185.13289	12.4
187.11203	2.2
187.14838	10.8
189.12755	2.0
189.16432	2.5
197.13281	10.0
199.14864	7.6
201.12785	5.9
201.16394	16.2
203.14247	1.5
206.99634	0.9
211.14857	9.3
213.16473	3.7
215.14305	3.2
215.18050	2.0
225.16409	6.9
227.17923	1.1
229.15826	1.7
234.99295	0.9
239.18027	2.8
241.19528	5.9
243.17488	1.5
257.19058	1.3
257.22601	2.1
267.21100	39.1
285.22144	100.0
286.22476	1.5
286.30957	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.1
55.05515	25.6
56.17493	1.5
57.03442	19.2
57.07059	4.8
58.64365	1.1
62.33729	1.1
66.19206	1.2
67.05507	39.7
69.06730	1.8
69.07067	30.2
70.09340	5.0
70.09709	2.4
71.05000	14.3
71.08617	3.2
79.05485	7.2
81.07060	56.0
83.08157	3.0
83.08620	56.2
85.06519	4.5
85.10160	2.4
87.08104	2.8
91.05446	5.6
93.07045	15.0
95.04974	1.4
95.08610	100.0
97.06520	4.1
97.10162	11.7
98.98399	1.4
99.08065	3.0
101.09639	5.8
105.07026	6.1
107.08594	7.8
109.10159	69.6
111.08073	5.8
111.11725	1.5
113.09653	1.3
119.08607	8.6
123.11695	12.6
129.06969	1.5
130.31429	1.3
133.10103	5.8
135.11711	11.9
137.09557	2.2
145.10194	1.5
146.06117	1.2
147.11717	6.6
149.13268	2.0
157.10030	1.6
165.16420	21.0
175.14833	20.0
183.17429	6.9
193.12215	3.1
193.15767	1.9
207.61620	1.3
211.16859	1.4
229.17989	78.4
230.18428	1.6
285.20560	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.0
55.05517	29.2
57.03439	22.3
57.07067	6.9
59.05010	1.9
63.00044	3.1
65.03924	2.1
67.05170	3.0
67.05509	46.2
69.06720	2.7
69.07072	39.4
69.89823	6.7
71.04995	19.4
71.08636	3.3
79.05486	10.0
81.03432	10.7
81.07063	69.4
83.04978	2.3
83.08628	61.1
85.02889	7.0
85.06532	5.7
88.39929	1.4
91.05502	9.6
93.07043	17.4
95.04975	4.0
95.08614	100.0
97.06528	5.4
97.10174	13.7
99.08102	3.6
101.09647	5.7
105.07038	10.6
107.08602	9.4
109.06509	1.6
109.10164	68.0
111.08083	9.2
111.11691	1.6
113.09637	3.7
117.07055	2.0
119.08606	12.3
121.10146	2.3
123.08006	1.8
123.11717	14.0
127.30563	1.7
131.08578	2.8
133.10124	9.3
135.11719	13.9
145.10132	2.4
147.11691	8.4
149.09598	1.7
149.13229	2.5
157.10136	4.1
159.11665	2.5
163.14674	1.7
165.16420	23.2
171.11658	1.9
173.13168	2.0
175.11273	1.5
175.14851	20.5
179.67097	1.4
183.15915	1.6
183.17464	6.6
183.46208	1.6
187.14726	1.6
193.12201	8.4
193.15967	2.5
197.13220	1.5
211.13297	3.8
211.16971	1.8
229.17993	74.9
279.21146	1.5
285.03970	2.3
285.17700	2.9
285.20578	45.0
285.25259	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.7
55.01841	6.7
55.05519	30.9
57.03436	55.8
57.07076	6.2
57.67826	4.2
62.29353	3.6
67.05508	51.7
69.03411	7.7
69.07072	14.2
69.52310	28.0
71.04980	12.7
79.05488	37.8
81.02991	4.9
81.03425	78.6
81.07062	63.3
83.04985	22.9
83.08629	40.8
85.02906	87.7
85.06568	3.6
86.74395	3.7
88.53238	3.8
91.05474	53.9
93.07045	31.0
93.51234	3.5
94.01744	3.6
95.04976	45.5
95.08601	32.0
97.02917	4.2
97.06535	4.1
98.98462	4.8
105.06366	5.2
105.07026	40.1
107.04975	4.4
107.08600	9.9
109.10130	11.2
111.04434	5.5
111.08083	17.5
113.06011	5.3
115.05448	4.2
117.07028	4.1
119.08588	30.0
121.06532	4.4
121.10149	16.3
123.08078	5.5
123.11734	7.1
129.06982	16.2
131.08571	17.0
133.10141	15.6
142.07770	5.2
142.37141	3.5
145.10115	9.6
147.08020	7.3
147.11714	25.8
149.09604	9.5
157.10124	25.6
159.05666	3.8
165.12773	7.2
171.01370	5.7
171.75111	3.9
175.11151	26.7
193.12260	100.0
211.13310	63.4
223.63622	3.9
235.89372	4.3
284.33121	6.7
285.16855	60.9
285.21851	28.1
285.29907	8.6
285.33383	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	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	4.8
55.01868	5.3
55.05515	31.4
55.84769	3.8
57.03438	51.5
59.13342	3.6
63.00054	6.8
67.05509	50.7
69.03434	4.7
69.07085	21.6
71.04992	8.7
71.57426	6.0
75.59826	3.5
79.05504	37.4
81.03421	93.5
81.07063	65.7
83.04980	15.5
83.08620	41.6
85.02908	88.4
85.35524	3.7
87.90769	3.6
91.05484	53.0
93.07041	31.4
93.70637	4.1
95.04974	51.3
95.08599	26.0
97.06534	7.3
97.10173	8.0
105.07040	42.1
107.04958	11.9
107.08585	15.2
109.06511	5.6
109.10178	10.5
111.04441	4.5
111.08096	18.5
113.06014	7.2
115.99086	4.0
119.08588	32.0
121.10175	23.2
123.08076	5.6
129.07019	21.4
131.08624	26.7
133.10126	19.0
137.09669	6.4
142.07814	4.7
145.10132	6.3
147.08063	6.2
147.11662	32.7
149.09653	13.4
157.10150	25.0
159.11694	4.4
162.08366	3.6
165.12767	10.6
174.28249	3.6
175.11208	31.5
193.12256	100.0
211.13307	74.7
259.83530	4.7
285.03998	8.2
285.16946	66.3
285.21857	25.5
285.33420	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	284.9879
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	0.8
69.70233	0.8
69.70641	1.7
72.23237	0.4
75.73553	0.4
89.61827	0.4
92.65480	0.4
94.10849	0.4
98.97586	0.8
101.00887	1.9
103.00587	0.5
116.98653	1.1
119.01129	0.7
119.01922	6.7
120.02042	0.6
121.01674	1.4
122.97898	0.5
134.99875	1.1
137.02951	1.3
139.02739	0.6
154.94159	0.4
158.99913	2.0
159.01065	0.4
172.95233	0.5
177.00960	19.7
178.01080	3.2
180.97614	0.4
187.98149	1.3
188.48242	0.4
196.94531	0.8
202.01155	0.4
202.93555	1.6
212.50227	0.5
214.95572	2.2
218.04190	0.4
218.95122	0.4
219.02017	2.1
220.02171	4.1
220.94511	1.3
220.97350	0.7
226.01086	0.5
230.46089	0.6
232.96506	0.9
237.98836	0.4
238.95599	15.9
238.98378	17.2
239.46700	0.5
243.02061	0.4
243.96136	0.5
244.02142	1.6
247.96132	0.5
256.96646	100.0
257.96771	3.6
258.96735	0.6
259.46994	0.9
260.96768	0.6
261.03055	5.7
261.97458	5.2
262.00089	2.6
262.03177	22.8
263.02869	1.5
270.98495	1.1
274.97687	30.6
275.98019	0.9
276.97983	0.6
279.44583	0.5
279.98233	37.4
280.98309	1.0
284.99734	0.7
293.99744	0.6
297.99341	4.2
303.00287	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.8
55.01875	1.5
57.03431	1.8
61.02935	3.5
65.03957	1.1
67.05505	14.7
68.05767	0.7
69.03425	7.3
69.07055	2.3
70.91685	1.4
70.92036	1.1
71.04989	0.9
73.02905	2.5
74.61912	0.6
79.05475	2.1
79.63345	0.6
81.02991	0.6
81.03423	9.2
81.07042	2.5
82.02934	1.3
84.04488	1.0
84.08083	0.9
85.02901	5.7
91.05462	0.9
93.05780	0.7
94.06557	2.4
95.04974	12.5
96.04515	2.1
96.08133	0.8
97.02901	19.8
97.06490	0.8
99.04446	1.5
103.03959	6.2
105.01907	0.8
105.07024	1.1
106.06555	0.9
107.07326	2.0
108.08117	8.8
109.02891	7.0
109.06441	0.8
110.02452	0.8
110.06011	3.3
112.07612	2.6
122.06011	5.0
122.09714	4.5
124.07604	1.0
125.06021	0.9
127.03917	7.1
132.08084	1.0
135.06810	0.8
136.07565	2.2
140.05972	0.8
140.07068	15.6
145.04982	1.4
150.09149	19.0
152.07060	19.2
154.08598	0.9
166.08646	1.4
168.06538	1.1
178.08633	59.0
182.08134	3.7
188.18884	0.7
191.01907	0.7
192.06541	1.3
192.10164	3.0
194.08168	0.9
200.04384	0.7
206.08130	100.0
218.08133	27.8
218.09787	0.4
220.09715	3.4
236.09206	2.8
248.09195	5.9
266.10294	2.2
284.11511	1.7
284.29404	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
54.02863	1.0
55.01857	1.9
57.03419	2.6
61.02912	3.3
65.03937	1.0
67.05174	1.0
67.05511	16.6
68.94360	0.9
69.03428	9.1
69.07065	2.4
69.96261	5.2
70.06590	1.3
71.04987	3.8
73.02925	4.7
79.05484	3.4
81.03427	9.8
81.07055	2.2
82.02945	1.2
84.04506	3.1
84.08181	1.2
85.02503	1.0
85.02917	10.1
91.05488	1.1
94.06551	2.8
95.04967	13.7
96.04491	2.8
96.05741	1.0
97.02901	21.7
99.04482	1.9
99.69424	1.1
103.03947	6.0
103.67524	1.0
106.06517	1.0
107.07363	1.9
108.08117	11.1
109.02885	6.8
110.06036	3.4
112.07607	4.7
120.04445	2.8
122.06046	5.2
122.09637	3.3
124.07607	1.7
127.03923	8.3
130.05052	1.3
134.05981	0.9
135.06821	1.8
136.07574	2.0
138.05553	2.5
140.07066	23.7
140.08090	1.8
150.09155	20.2
152.07086	18.1
154.08633	1.2
161.06009	1.5
163.03893	1.0
164.07072	2.2
164.10838	1.1
166.08688	2.2
168.06613	1.8
178.08649	61.8
182.08142	4.3
192.06596	2.1
192.10147	2.5
206.08142	100.0
218.08153	28.1
220.09761	2.3
236.09175	3.5
248.09258	8.1
266.10193	2.6
284.06412	1.4
284.09103	2.8
284.11676	2.1
284.15765	2.7
284.29498	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.2
56.64699	0.2
56.96569	2.2
57.03450	0.4
61.02943	0.3
62.76743	0.2
66.56573	0.2
69.03448	0.7
70.06617	0.3
70.30368	0.8
73.02936	0.3
80.05037	0.4
81.03410	0.4
81.72593	0.2
85.02911	1.1
86.09710	0.2
89.03924	0.4
91.05499	0.6
95.04987	0.6
97.02942	0.4
98.97589	3.0
101.00914	0.7
109.05164	0.2
116.98634	2.5
119.01927	3.2
119.03558	0.7
119.04961	1.1
120.01996	0.2
123.04434	2.2
125.33440	0.2
128.52629	0.2
130.08606	0.3
131.01904	0.5
131.04994	0.2
133.03474	0.3
133.06500	0.8
134.06859	0.3
134.96338	0.3
134.99687	2.0
135.02992	0.2
135.04417	0.3
136.06194	100.0
137.02989	1.0
137.04634	0.5
145.03503	0.3
147.04411	2.7
148.04678	0.5
151.03897	0.2
152.05685	6.0
152.06886	0.3
153.00848	0.7
153.04089	0.5
153.49080	0.2
157.03442	0.3
158.01045	0.2
158.99846	0.6
161.01306	0.3
161.02905	0.6
162.99463	1.0
163.03879	1.6
164.04315	0.5
165.05516	0.8
176.97476	1.4
177.00960	10.6
178.01143	0.5
178.04088	0.2
183.04982	0.2
188.37306	0.2
189.00996	0.9
191.02054	0.3
192.98680	0.3
193.03477	0.7
194.98416	1.6
195.05107	0.4
196.05235	0.3
200.02551	0.5
200.04190	0.4
201.00809	0.2
201.02419	0.8
201.06105	0.2
204.07199	0.3
205.00482	1.2
208.05190	0.5
209.02933	0.8
211.04570	0.2
212.04037	1.8
216.07314	0.2
217.00417	0.5
217.04039	0.5
219.01964	3.3
219.05214	0.3
225.00888	0.2
225.06183	0.3
226.06258	0.7
230.05118	1.6
232.04472	0.2
233.06490	0.2
235.01480	3.5
237.98732	0.2
238.01094	0.2
238.06360	0.9
239.02116	0.4
242.05153	0.4
242.98509	0.2
243.01982	1.1
252.99016	1.2
253.02478	0.5
256.07166	0.6
257.05228	1.4
258.03165	1.2
260.06061	1.6
260.99646	1.3
261.03015	15.1
261.07782	1.0
262.03116	0.4
262.05582	1.1
266.08881	1.5
271.00278	0.2
272.05878	0.2
275.04614	0.3
279.00580	1.9
280.06689	1.4
284.00949	0.7
284.04623	0.4
284.09845	7.9
284.29434	0.5
302.02069	0.4
302.07404	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.2
55.01872	10.2
55.05510	2.1
57.03444	6.2
60.04523	2.1
61.02927	8.5
65.60513	1.2
67.05484	1.5
68.99775	2.5
69.03076	1.8
69.03431	31.5
69.07056	1.4
70.03205	5.7
71.04984	8.6
73.02914	12.1
73.26455	1.2
81.02976	2.2
81.03419	31.3
81.07026	2.6
85.02907	93.0
87.00833	40.1
91.03954	3.5
95.08556	1.6
97.02892	59.7
98.20754	1.6
98.97659	1.3
99.04456	17.7
101.02422	1.6
105.01868	62.5
108.04491	9.7
109.02881	28.6
115.03919	2.1
117.01824	3.5
126.05502	4.8
127.03922	100.0
129.01797	3.9
145.04962	77.7
147.02914	4.3
159.02884	29.7
177.04060	1.7
189.03952	2.4
213.03867	3.1
230.06651	3.2
231.05028	27.4
243.10986	1.4
248.07646	5.8
249.06044	5.4
284.09674	4.5
284.29413	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	284.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.9
55.01870	5.7
55.05511	10.9
57.41594	4.3
61.02934	9.5
67.05490	14.5
69.03424	32.8
69.07069	6.1
69.20821	4.0
69.65425	20.1
69.65832	6.7
71.04972	6.9
73.02912	10.9
73.40435	4.3
79.05473	7.2
81.03426	23.1
81.07053	12.3
83.04996	5.9
85.02910	80.0
87.00846	30.3
88.52214	4.3
93.07038	8.7
95.08613	13.4
97.02892	57.7
98.97584	6.4
99.04446	15.7
105.01865	50.9
108.04467	6.9
109.02894	27.6
116.98623	4.8
117.52310	4.1
117.97425	4.3
126.05525	5.4
127.03922	100.0
145.04953	57.6
159.02849	21.1
187.88750	5.3
231.04956	29.7
284.15686	6.8
284.20596	5.2
284.29431	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	284.0469
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	2.9
57.03443	0.7
63.81773	0.4
65.03922	0.4
68.46922	0.4
69.87634	1.3
69.88045	0.8
81.03448	0.5
85.02908	1.2
89.03976	0.5
89.17081	0.4
91.05498	0.8
97.02920	0.8
98.97586	11.9
98.98183	0.9
99.97956	0.7
101.00895	1.9
108.08156	0.4
110.03528	0.8
116.98632	9.2
119.01936	8.8
119.04957	1.1
123.04410	0.6
130.03543	0.5
131.01884	1.0
133.03433	0.5
133.06516	0.9
134.96335	0.5
134.99706	5.3
135.03017	1.5
135.04437	0.5
136.06200	63.5
137.02954	2.6
140.00259	0.4
147.04395	3.1
152.05693	32.5
153.00891	1.0
153.04041	1.9
158.99876	2.3
161.02960	0.4
162.99411	1.7
163.03911	2.5
176.97578	2.0
177.00967	30.7
178.01071	1.3
182.99921	0.5
187.95908	0.4
189.00964	1.5
189.73021	0.4
192.13223	0.4
194.98396	2.1
200.02515	0.9
200.04112	1.2
201.00922	1.4
201.02472	1.0
205.00429	2.2
212.04034	2.3
217.00465	0.6
217.03999	2.5
219.02020	20.9
224.99065	0.5
225.00935	2.1
226.06374	0.9
230.05103	1.9
235.01553	8.2
238.06133	0.6
242.98593	0.7
242.99135	0.6
243.01996	6.7
248.09019	0.4
252.98985	1.4
253.02597	0.6
256.06812	1.2
257.05273	0.9
258.03091	1.9
260.06183	1.5
260.99777	5.6
261.03076	100.0
262.03293	2.2
262.05740	0.7
266.08942	0.6
275.04575	1.2
279.00616	10.3
280.06781	0.8
284.00851	1.2
284.04706	3.2
284.09760	4.4
302.01566	0.9
302.07309	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1905
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
52.03566	0.5
53.03935	1.3
54.75813	0.5
55.01886	3.9
55.05517	24.6
57.03413	0.8
57.07078	6.7
62.12550	0.6
63.18362	0.5
63.27090	0.5
65.03938	0.6
67.01869	3.7
67.05509	9.4
68.99437	1.0
68.99796	20.8
69.03420	2.2
69.07072	23.2
70.25637	2.3
71.04986	1.5
71.08657	2.7
72.14465	0.6
79.05122	0.7
79.05505	8.6
81.03406	2.3
81.07065	13.0
83.04991	5.7
83.08627	15.8
85.02895	0.9
85.06532	1.2
85.10162	0.8
87.00845	0.8
91.05488	3.1
93.07056	11.5
95.04974	1.5
95.08613	10.5
97.02924	2.9
97.06102	0.5
97.06550	5.7
97.10173	9.0
99.04437	0.8
99.08121	0.7
105.07027	1.8
107.04952	2.0
107.08599	8.3
109.06510	2.0
109.10165	3.5
110.04595	0.5
111.00813	43.3
111.04453	10.3
111.08105	3.6
111.11737	1.8
113.02374	0.9
113.05995	0.7
115.03953	0.5
117.07051	0.9
119.08559	1.8
121.06536	1.5
121.10146	9.8
123.08080	1.7
123.11684	1.1
125.05974	3.1
125.09644	3.1
126.03152	2.6
127.03923	11.2
131.08549	1.6
133.10155	1.3
135.08069	2.9
135.11678	5.4
137.09628	1.4
139.03911	24.6
139.07529	2.1
139.11201	2.9
145.10117	2.8
147.11632	0.7
149.06001	1.4
149.09651	2.0
149.13214	0.8
151.07568	0.7
153.05472	1.5
153.09123	3.3
153.12726	0.6
157.08614	1.2
161.13338	1.5
163.07570	0.7
163.11174	2.5
163.14842	5.7
167.07014	3.2
167.10672	2.0
171.10240	1.9
176.36073	0.5
177.16449	3.4
177.17792	0.7
181.08582	4.8
181.12282	1.3
181.15823	2.1
185.11737	1.2
187.14775	2.7
195.10199	5.8
195.17432	0.9
199.13225	0.8
201.16360	0.7
205.15880	3.7
209.11771	8.3
219.17493	1.7
221.19017	0.8
223.13377	4.4
223.16919	9.0
228.58099	0.6
237.74603	0.6
241.17982	4.7
247.16959	2.1
251.13321	0.6
265.17999	100.0
271.09711	0.6
283.15717	1.0
283.18994	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	283.1907
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
55.01867	6.0
55.05521	28.6
57.03435	7.1
57.07068	7.8
62.15104	1.9
63.93896	1.8
64.28397	2.1
67.05501	17.1
68.99802	16.3
69.07079	23.7
70.88657	5.3
71.05003	4.4
71.08606	2.2
72.43827	2.4
79.05499	16.9
81.03424	3.9
81.07061	21.0
83.01337	3.3
83.05005	11.5
83.08627	22.9
85.06541	3.4
89.06033	2.8
91.05477	12.6
93.07053	25.1
93.68817	2.3
95.04987	4.6
95.08613	18.2
97.06554	11.3
97.10190	12.4
105.07021	9.5
107.04990	5.2
107.08609	14.3
109.06557	2.8
109.10175	10.0
111.00819	41.8
111.04454	11.7
111.08046	3.1
117.07015	8.2
119.08587	8.5
121.06514	2.6
121.10169	13.3
123.08083	4.4
125.06036	4.5
125.09615	2.9
127.03898	6.9
131.08563	5.9
135.08092	4.8
135.10014	2.3
135.11700	12.3
137.09605	2.8
139.03931	16.3
139.11172	2.4
141.77310	2.7
143.08537	3.4
145.10123	8.6
149.09595	2.5
153.05602	2.7
153.09148	2.5
155.08640	2.2
157.10100	2.6
159.11671	2.7
163.11194	13.0
163.14795	3.8
167.10713	3.3
177.16350	3.4
181.08646	3.8
181.12288	6.1
191.10661	3.0
195.10161	5.4
199.07298	2.1
209.11639	10.4
219.17514	2.2
223.13298	2.8
223.16882	6.0
227.12770	4.7
228.59529	2.2
241.18031	2.8
247.16887	2.3
265.18005	100.0
283.15338	15.0
283.20547	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	283.1542
Annotation	3beta,10beta-Epoxy-1alpha,3beta-dihydroxy-4Z-germacren-12,6alpha-olide
Peak:m/z	Relative Intensity
50.21044	2.7
53.03952	4.0
55.01883	13.5
55.05515	27.2
57.03432	12.4
57.07075	9.4
58.05899	2.7
63.92533	2.3
67.05510	26.4
68.99791	8.4
69.07070	39.1
69.62260	18.0
71.04993	5.8
71.08620	6.5
74.06843	2.4
76.60014	2.7
79.05495	24.8
81.03433	4.0
81.07059	41.4
83.01320	3.5
83.04983	16.0
83.08620	22.6
85.02898	4.1
85.06554	3.3
86.09682	3.1
91.05469	13.0
93.07053	32.1
95.04997	4.5
95.08611	32.2
97.02895	3.2
97.06543	10.5
97.10155	5.1
98.21509	3.4
99.04459	4.8
100.01756	2.9
105.07027	14.1
107.04966	8.4
107.08604	23.1
109.06521	8.2
109.10188	15.1
109.60860	3.0
111.00809	32.0
111.04443	14.2
111.08090	8.3
115.44783	2.9
117.07055	5.9
119.08597	10.2
121.02849	3.9
121.06525	5.5
121.10156	12.1
123.08020	5.4
123.11724	5.2
125.05988	3.6
125.09677	3.3
127.03925	9.3
129.06984	3.2
131.08617	7.3
133.10164	6.7
135.11699	19.8
137.09613	3.1
139.03888	15.1
143.08542	3.7
145.10173	13.8
147.11700	6.6
148.05809	2.7
149.02353	3.9
149.09622	3.7
149.13283	8.1
151.11128	2.7
153.12770	5.8
155.08617	3.9
157.10121	4.3
159.11694	3.2
163.11188	17.0
168.13899	7.1
170.15398	7.2
171.56747	3.4
173.13297	4.4
177.12880	4.3
181.12253	4.2
191.10747	3.7
191.14273	2.9
193.04959	4.2
195.13754	8.7
196.13374	5.4
198.14909	8.9
209.11694	3.2
213.14879	6.6
227.12750	5.1
237.14813	45.6
251.16820	2.7
265.14362	100.0
283.15155	21.0
283.20801	10.4
283.23727	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	283.1541
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03943	8.5
55.01876	38.5
55.05516	64.0
57.03444	61.8
57.03722	1.8
57.07063	3.6
59.05011	11.6
67.05178	2.7
67.05508	43.0
69.07070	19.1
69.95323	7.3
71.01338	3.7
71.05004	12.5
73.06575	1.9
74.02320	2.0
77.03929	2.5
79.05500	56.5
81.03423	34.9
81.07061	59.1
81.91895	2.2
83.01354	36.4
83.04987	44.1
83.08618	39.4
84.11982	2.0
85.02913	8.9
85.06551	4.0
91.05487	39.2
93.07053	74.9
94.36259	1.9
95.04969	23.3
95.08059	2.3
95.08617	26.7
97.02887	6.8
97.06535	14.4
97.10163	3.2
98.21422	2.2
99.04461	9.8
103.05441	2.4
105.07047	25.7
107.04965	22.4
107.08600	36.4
108.10486	2.1
109.06525	18.2
109.10131	7.4
111.04439	12.1
111.08087	6.9
111.11686	2.2
115.05464	2.5
117.07043	22.6
119.08601	23.0
121.06503	9.6
121.10169	23.5
123.04359	2.4
123.08080	27.4
125.05982	7.9
125.09623	5.0
126.83318	2.4
129.06975	6.6
130.07777	3.9
131.08623	11.1
133.10124	6.9
135.08041	8.5
135.11716	46.5
137.09627	5.4
145.06485	3.8
145.09032	4.2
145.10132	52.9
147.08073	5.9
149.09610	2.3
153.12781	11.1
155.08609	4.7
163.11197	77.2
166.80856	2.1
173.09601	13.3
181.12204	15.2
191.10657	10.0
209.11763	27.9
227.12802	16.9
283.06281	2.8
283.15408	100.0
283.20590	6.4
283.26166	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	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	2.8
53.03952	5.5
54.01052	2.1
55.01633	2.4
55.01880	37.3
55.05515	60.7
57.03189	3.5
57.03446	53.9
57.07080	4.5
59.04995	9.7
67.05511	42.3
69.03415	4.5
69.07078	14.0
71.01322	3.2
71.04999	14.9
71.08628	2.8
76.25060	2.1
76.44930	2.3
79.05499	66.8
79.55559	2.2
81.03423	32.9
81.07066	48.9
83.00902	2.6
83.01357	39.6
83.04987	47.9
83.08206	3.2
83.08628	39.9
85.02905	9.8
85.06532	3.2
89.06026	7.9
91.05495	37.9
93.07056	75.8
95.04972	23.1
95.08612	28.3
97.02864	5.8
97.06533	15.2
97.10149	3.4
99.04456	7.2
103.05480	2.5
105.04517	2.6
105.07041	27.6
107.04964	22.9
107.07868	2.8
107.08604	44.1
109.06508	19.3
109.10159	8.9
111.04427	13.5
111.08070	6.0
117.07043	20.2
119.08598	29.1
121.06506	14.6
121.10181	22.5
123.08082	27.7
125.06001	5.6
125.09633	4.4
128.06241	2.6
129.06990	5.1
130.07762	3.5
131.08577	9.8
133.10109	6.5
135.08064	7.9
135.11690	48.5
137.09618	4.8
138.87204	2.3
139.07544	2.9
143.08633	4.5
145.06502	3.9
145.10130	50.8
147.08034	5.3
149.09631	4.1
153.12778	15.7
155.08574	6.5
158.73703	2.5
163.11203	91.4
173.09641	13.1
181.12206	20.6
191.10667	12.8
209.11699	27.5
227.12779	23.0
229.29399	2.4
260.14276	2.5
283.15414	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50541	4.7
53.03947	8.4
53.41397	4.8
55.01880	41.8
55.05263	5.6
55.05514	77.1
57.03439	74.9
57.07069	24.3
57.09729	4.8
59.05003	8.2
60.99976	4.6
67.05508	52.8
68.05709	4.9
69.03413	6.8
69.07072	26.5
69.88205	13.5
69.88603	8.3
71.04989	13.7
71.08619	5.5
79.05495	76.1
81.03421	46.1
81.07062	74.9
83.01344	47.1
83.04980	53.3
83.08619	50.7
85.02908	14.0
89.06023	11.3
91.05481	47.6
93.07053	89.2
95.05001	21.9
95.08630	26.6
97.06530	14.1
97.10159	7.5
99.04454	7.9
105.07027	33.4
107.04939	27.0
107.08599	40.0
109.06535	21.7
109.10132	9.8
111.04481	11.3
111.08098	13.2
117.07026	23.6
119.08589	24.0
121.06536	11.8
121.10172	26.1
123.08083	35.6
123.17249	4.6
125.06020	8.3
125.09659	6.1
130.07777	7.3
131.08551	11.6
133.10127	5.6
134.09674	11.9
135.08081	6.5
135.10059	11.3
135.11681	41.4
137.09641	7.4
145.10115	54.1
147.08049	5.5
153.12764	18.6
156.80948	4.0
163.11208	100.0
164.99883	4.1
173.09679	13.2
177.08760	9.0
181.12234	14.2
191.10706	11.5
209.11700	23.4
227.12807	11.4
278.75586	4.4
283.15390	92.1
283.22531	38.7
283.26352	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	283.154
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03938	6.8
55.01624	3.0
55.01876	42.2
55.05262	5.5
55.05514	76.3
57.03440	67.3
57.07078	14.4
59.04996	9.9
65.03925	3.1
67.05508	45.6
68.72442	2.7
69.03400	4.2
69.07076	15.8
70.53383	9.6
71.01344	4.5
71.05006	13.8
71.08631	5.7
79.05065	4.0
79.05502	78.8
81.03419	32.4
81.07066	67.9
83.01344	39.8
83.04982	43.4
83.08630	44.6
85.02905	9.0
85.06519	4.0
89.06023	8.8
91.05483	48.6
93.07053	90.8
95.04986	22.0
95.08609	31.3
97.02878	7.1
97.06521	11.7
97.10165	9.2
99.04457	8.1
105.07043	37.1
107.04966	17.7
107.08597	42.4
109.06539	21.0
109.10164	9.9
111.04443	9.9
111.08111	6.4
117.07031	24.0
119.08595	26.9
121.06508	11.9
121.10146	28.8
123.08071	26.8
125.05987	6.9
125.09660	5.8
125.30924	3.0
129.07018	5.6
130.07814	4.2
131.08568	9.8
133.08653	4.6
133.10115	6.3
134.09619	7.7
135.08119	7.1
135.10014	7.2
135.11700	50.8
137.09613	5.1
145.10126	55.8
147.08089	4.1
149.09578	3.5
153.12758	12.7
155.08588	3.6
163.11189	99.7
163.14890	5.7
173.09653	12.6
181.12265	14.9
191.10648	10.1
209.11739	26.4
227.12927	14.8
243.00807	3.1
283.15463	100.0
283.19061	12.5
283.22412	26.2
283.25836	26.3
303.89648	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1541
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.00328	3.6
53.03937	5.6
55.01876	45.3
55.05259	4.8
55.05512	67.2
57.03440	59.6
57.07069	9.2
59.04998	11.1
67.05505	40.1
67.26134	2.7
69.07064	9.5
69.35418	20.2
69.35819	6.4
71.04991	15.3
79.05497	54.5
79.80413	3.0
81.03423	39.2
81.07053	56.5
83.01345	34.3
83.04991	48.6
83.08620	42.4
85.02451	3.3
85.02912	13.4
85.06554	4.8
91.05488	50.7
93.07043	79.4
95.04981	26.2
95.08610	22.1
97.02894	8.1
97.06542	19.7
99.04453	8.9
105.07027	29.1
107.04941	26.4
107.08601	38.3
109.06528	23.9
109.10159	5.5
111.04451	13.5
111.08101	8.2
115.05483	3.4
117.07021	22.7
119.08585	30.5
121.06506	24.9
121.10152	30.2
123.08097	25.6
125.06004	7.0
128.06290	4.5
129.07063	4.6
130.07788	3.9
131.08580	11.6
133.10121	11.5
135.08022	9.0
135.11699	47.5
137.09622	5.5
143.08546	6.9
145.06505	3.8
145.10139	56.1
147.08034	4.8
147.11685	3.3
149.09616	4.3
153.12796	15.3
155.08588	5.7
163.11197	100.0
173.09634	14.6
181.12206	20.1
191.10733	9.8
209.11737	23.5
227.12741	10.7
228.02538	3.0
228.82036	3.6
256.58374	2.7
265.46317	2.9
283.15311	93.6
283.20578	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	283.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.5
55.01882	46.2
55.05521	79.2
57.03444	77.8
57.07078	8.2
59.05020	14.5
65.03935	3.8
67.05512	55.4
69.03405	6.0
69.07083	17.4
70.63532	7.3
71.04977	13.2
71.08607	2.8
79.05069	5.1
79.05505	71.2
81.03424	34.7
81.07073	69.4
81.58612	3.4
83.00903	2.9
83.01357	43.6
83.04987	48.7
83.08627	46.0
85.02882	11.5
85.06559	6.0
89.06058	18.2
91.05488	45.1
93.06477	5.2
93.07057	89.1
95.04968	18.9
95.08629	35.8
97.02910	4.5
97.06550	22.1
97.10161	5.2
99.04448	8.6
105.07048	33.3
107.04961	28.5
107.08608	48.9
109.06545	30.8
109.10100	6.7
111.04434	9.2
111.08128	5.2
117.07022	29.4
119.07896	3.3
119.08603	33.2
121.06535	14.3
121.10155	28.1
123.08103	26.6
125.05997	6.4
125.09654	6.6
129.07011	9.3
130.07771	3.3
131.08551	14.3
133.08626	4.5
133.10120	7.2
135.08084	7.2
135.11714	49.0
137.09636	5.9
145.06412	3.6
145.09062	4.0
145.10143	57.0
147.08104	7.7
149.09613	3.3
153.12749	11.0
155.08556	8.7
163.11197	95.8
173.09669	16.9
181.12282	14.5
191.10672	12.1
209.11697	29.7
227.12663	20.1
283.15399	100.0
283.20013	19.2
284.15973	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	283.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12622	0.6
65.03932	1.3
67.05480	0.8
68.99796	0.9
69.07078	0.7
69.51095	4.2
69.51500	1.4
79.05507	3.6
89.03929	15.3
91.05484	1.3
95.04959	1.1
98.20687	0.7
103.05479	2.1
107.04984	4.1
111.04467	1.8
117.03394	14.8
119.04909	0.8
120.08138	0.9
121.02880	43.8
123.04440	9.0
131.04929	1.9
133.02853	3.0
133.06519	0.9
134.03737	1.4
135.04446	30.4
136.04796	1.3
138.54805	0.6
139.03926	2.4
145.02856	15.3
145.03992	1.1
146.03210	1.2
147.04395	4.3
149.05984	1.2
151.03934	1.5
151.64513	0.7
163.03920	100.0
164.04234	4.9
175.03912	1.1
193.05052	1.7
207.04959	1.1
237.00842	1.7
237.05707	2.4
250.51492	0.7
255.01706	0.7
255.06787	1.1
260.07635	1.9
265.04938	1.4
283.06168	3.3
288.19858	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.5
55.01869	3.3
56.96573	10.9
57.03431	5.7
60.23473	1.5
60.95856	2.2
61.02943	10.6
66.49600	1.5
67.05492	3.0
69.03132	1.8
69.03437	22.0
69.71562	7.1
71.04990	3.2
73.02927	3.9
81.03439	7.1
85.02914	100.0
85.06555	17.3
87.04460	5.7
87.16260	1.5
89.03909	3.1
91.03941	5.1
97.02906	24.0
98.20942	4.2
98.21525	1.8
98.97583	6.3
99.04455	6.0
107.04959	1.9
109.02899	9.3
110.97592	2.5
112.07574	3.0
115.03934	6.3
116.98624	5.7
117.03381	2.2
119.01920	2.6
119.04955	2.2
121.06461	1.9
123.04451	2.8
127.03928	26.8
128.98537	2.2
131.04987	2.5
133.06517	2.6
134.03662	7.5
134.05933	1.9
134.09639	3.2
134.99664	1.9
135.04437	7.1
136.06201	9.3
145.04973	46.4
147.04398	6.2
149.05930	1.6
150.07773	58.7
156.03391	7.9
158.06651	5.6
158.99666	2.2
159.06772	6.1
161.01241	1.7
161.02977	2.6
163.03932	16.9
163.06006	10.8
173.03033	3.5
174.04413	15.5
174.97696	4.4
176.07706	4.3
177.00743	2.5
177.07956	4.3
186.04439	16.3
186.06021	2.9
189.05939	2.1
192.05447	4.6
192.98686	8.7
197.02979	2.0
199.48094	1.6
203.04063	1.9
204.05452	18.4
207.05121	1.8
215.03972	2.1
219.01878	2.0
221.05080	3.2
225.06143	2.6
225.10684	1.9
226.10988	3.4
229.10703	4.5
237.00766	1.7
241.05751	1.8
244.12175	3.8
250.99297	4.6
251.04311	2.1
252.12669	15.7
260.07693	3.1
264.12659	6.8
270.13806	10.7
271.06647	3.4
282.07187	2.0
282.13782	18.5
282.22162	4.3
299.06097	6.8
300.06396	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	282.0138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84953	0.6
54.41022	0.6
56.96571	13.1
58.45770	0.5
62.45684	0.5
64.14677	0.6
69.03439	0.8
70.52931	1.9
71.95259	3.3
82.96209	0.6
85.02901	1.6
91.05490	1.0
97.02891	1.0
98.97591	100.0
116.98629	61.3
119.01932	1.6
119.05005	0.8
127.03945	0.8
134.98634	1.1
134.99666	22.9
135.04442	0.8
140.00200	1.4
147.04410	1.7
150.07768	20.0
153.00748	2.4
156.96567	0.9
157.55717	0.6
163.03931	2.4
169.74323	0.6
171.66791	0.6
174.04495	0.6
174.97646	7.6
186.04405	0.7
192.98740	8.6
216.98740	1.2
220.02191	1.2
232.98177	1.2
234.99788	0.9
239.79001	0.6
240.98573	3.2
247.01543	0.9
250.99370	4.5
258.99783	43.7
260.00061	1.4
269.00388	0.9
269.66385	0.6
277.00836	76.4
278.01074	1.2
282.04742	0.8
282.11938	1.2
291.02374	1.2
295.02072	0.8
300.02502	1.8
301.00964	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.014
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40418	0.3
56.96571	11.4
57.03423	0.6
61.02937	0.3
61.57880	0.3
62.45097	0.4
63.19826	0.3
69.03413	0.8
71.55369	0.6
71.95274	1.8
72.88307	0.3
73.02929	0.6
85.02891	1.0
96.16546	0.3
97.02889	1.0
98.97593	100.0
102.96912	0.4
108.36211	0.3
116.98635	61.7
119.01923	0.5
127.03887	0.5
131.00186	0.5
133.03496	0.4
134.99670	23.1
140.00243	1.0
147.04359	0.8
149.01279	0.5
150.07770	34.1
153.00653	2.5
156.96552	0.5
158.01262	0.8
161.02991	0.4
163.03957	1.0
174.04411	0.5
174.97678	4.2
177.00894	0.5
186.04425	0.8
192.98749	4.3
199.00938	0.5
202.01099	0.3
204.05536	0.6
216.98695	0.6
219.01926	0.4
220.02165	0.7
232.98178	0.8
234.99730	0.9
240.98630	3.2
243.98289	0.4
250.99324	3.0
258.99789	42.3
259.99841	0.6
269.00293	0.4
273.01236	0.4
277.00848	69.1
278.01001	1.3
282.01468	0.6
282.11850	1.8
291.02286	0.8
295.01834	0.9
300.02347	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1749
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
50.65895	0.2
53.03946	1.0
55.01871	1.1
55.05515	10.2
57.03444	1.5
57.07079	1.2
59.04995	0.4
60.72858	0.2
65.03947	0.8
67.01855	0.4
67.05509	24.5
68.99794	5.2
69.03431	0.7
69.07072	12.2
69.76702	0.5
69.77119	0.9
71.01365	0.5
71.05001	2.4
71.08630	0.6
79.05054	0.4
79.05498	6.5
80.21061	0.2
81.03428	2.2
81.07063	29.3
83.04990	2.4
83.08626	8.0
85.02896	0.8
85.06552	4.7
85.07063	0.3
87.00831	1.9
91.05476	3.8
93.07053	7.0
95.04991	2.0
95.08615	47.8
96.08940	0.3
97.02911	0.9
97.06540	5.7
97.10174	2.3
99.04475	0.4
99.08087	1.7
101.06036	0.2
103.54411	0.3
105.07041	4.0
107.04991	0.6
107.08598	3.0
109.06535	1.2
109.10164	12.6
111.00816	6.3
111.04466	1.3
111.08089	1.4
111.11783	0.4
113.02402	0.3
113.06091	0.2
113.09655	0.7
115.03957	0.5
115.07589	0.6
117.07039	0.6
119.08585	5.2
121.06528	0.3
121.10121	2.0
123.04450	0.6
123.08075	2.2
123.11738	1.1
125.06007	0.7
125.09659	0.6
126.03156	1.0
127.03931	2.5
127.07549	0.4
129.07016	0.6
131.08554	0.5
133.06517	0.4
133.10146	3.7
135.11708	3.3
137.06017	0.4
137.09601	1.8
137.13252	3.2
139.03900	3.7
139.07582	0.4
141.09126	0.5
143.08586	0.6
145.10149	0.3
147.08055	0.6
147.11714	1.3
149.02335	0.3
149.13237	0.9
151.02853	0.3
151.07549	0.6
151.14848	0.9
153.05470	0.4
153.09094	0.4
157.10152	0.5
159.11728	0.6
161.09715	0.4
161.13269	13.2
165.09157	0.9
167.07036	0.4
167.10738	0.3
171.11732	0.4
175.14861	0.6
177.16312	0.3
179.14323	7.9
181.08627	0.4
185.13385	0.5
195.10178	0.3
197.15398	4.6
199.14778	0.3
203.14322	0.4
215.16443	6.6
221.13478	0.3
221.15430	0.7
235.16989	0.3
239.16415	5.0
241.25342	0.2
245.15318	0.3
251.16519	0.5
251.57629	0.2
263.16452	1.1
267.00122	0.3
281.17484	100.0
282.17877	1.3
283.02914	0.5
299.06183	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1749
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03947	11.7
53.92553	1.2
55.01879	7.3
55.05270	1.9
55.05518	31.5
55.60633	1.3
57.03442	28.0
57.15096	1.5
65.03938	4.1
67.05510	82.6
67.98529	1.3
69.03428	2.1
69.07077	15.2
70.69519	2.7
71.04988	2.5
73.06562	2.0
77.03881	1.4
79.05500	100.0
81.03424	13.9
81.07066	58.7
83.04991	35.6
83.08634	9.8
83.49680	1.5
85.06532	2.9
86.38323	1.5
91.05491	66.6
92.35085	1.6
93.07052	69.4
95.04980	25.0
95.08615	38.2
97.02892	2.8
97.06546	7.1
97.10159	5.8
105.07039	49.4
107.04972	8.9
107.08601	23.0
109.06535	8.5
109.10146	6.7
117.07021	8.8
119.08597	29.1
121.06495	4.9
121.10155	4.6
123.08102	9.9
127.07558	2.5
128.06210	2.3
129.07024	20.2
133.10133	13.5
135.11705	2.4
141.09103	1.9
143.08566	11.1
145.10136	10.8
147.08051	4.5
147.11702	44.0
161.09605	5.1
161.13275	20.4
170.49831	1.4
171.11722	29.1
189.12766	11.1
207.13783	13.7
217.59415	1.6
226.00789	1.4
263.01123	1.5
281.17514	46.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1749
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.03388	1.5
53.03956	10.1
54.19986	1.5
55.01863	4.3
55.05265	2.7
55.05515	34.7
57.03186	2.2
57.03441	27.7
57.07063	2.0
65.03931	4.6
67.05509	79.2
68.02744	1.4
68.12003	1.6
69.03427	3.8
69.07072	16.8
69.38908	8.9
69.39317	3.7
71.04987	4.1
73.06539	3.7
79.05499	100.0
81.03417	16.9
81.06577	2.5
81.07064	67.8
83.04985	35.2
83.08632	11.0
85.06544	4.4
91.05488	69.4
93.07050	69.4
95.04374	1.8
95.04979	28.9
95.08053	2.5
95.08615	39.9
97.02876	3.1
97.06533	6.4
97.10187	3.8
98.21501	3.2
99.08083	1.6
100.11256	2.3
105.07039	51.5
107.04956	10.1
107.08591	24.0
109.06523	9.6
109.10152	7.2
111.08152	2.4
115.05467	2.1
117.07024	8.8
119.07790	2.6
119.08593	33.7
121.06490	3.3
121.10133	6.5
123.08097	9.7
127.07563	1.9
128.06229	3.2
129.07005	14.9
131.08565	5.1
133.10152	15.7
135.08089	2.0
135.11664	2.4
143.08568	8.3
145.10129	11.3
147.08029	4.4
147.11702	39.3
161.09624	5.5
161.13269	16.0
163.11211	2.0
171.11697	30.4
177.12680	1.7
189.12752	11.6
207.13857	13.8
263.16486	1.8
281.17474	40.5
281.22217	1.8
299.06107	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	281.1749
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03940	9.2
54.14050	2.2
55.01870	5.3
55.05517	35.0
57.03230	2.3
57.03439	25.1
62.00062	2.3
65.03918	4.2
67.05510	81.9
69.07065	16.4
69.25406	25.0
71.04970	2.7
73.06554	3.8
76.88541	2.4
79.05503	100.0
81.03436	14.2
81.07066	60.5
83.04987	31.8
83.08602	10.1
91.05487	63.9
93.06474	4.7
93.07052	76.4
95.04972	23.1
95.08606	36.5
97.06512	6.2
97.10168	5.4
105.07034	42.8
107.04960	6.7
107.08610	20.3
109.06517	10.0
109.10148	10.2
117.07019	9.5
118.46894	2.1
119.08595	33.3
121.06471	3.5
121.10122	7.5
123.08075	6.8
128.79218	2.2
129.07024	17.9
131.08577	3.8
133.10143	15.8
135.11729	2.8
139.73955	2.5
139.81549	2.4
143.08575	12.3
145.10112	11.3
147.08073	3.2
147.11702	37.4
161.09612	6.6
161.13281	20.8
171.11708	33.7
173.10968	2.6
189.12732	9.4
207.13800	15.6
281.17474	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1748
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03955	10.2
55.01868	6.7
55.05516	38.3
57.03443	30.6
57.07084	3.5
61.73818	2.1
65.03927	5.3
67.05511	86.1
69.03413	3.0
69.07072	17.8
69.51025	14.4
71.04989	5.8
73.06573	2.4
78.48102	1.6
79.05499	100.0
81.03429	19.1
81.07065	71.2
83.04988	37.9
83.08646	11.8
85.06548	4.6
91.05489	72.0
93.07050	79.0
95.04967	27.7
95.08039	3.3
95.08613	38.6
97.02877	3.1
97.06537	5.9
97.10165	6.9
105.07039	57.8
107.04971	9.1
107.08597	24.7
109.06539	8.3
109.10155	9.0
117.07012	11.4
119.08592	29.0
121.06515	4.5
121.10151	4.2
123.08074	6.9
123.11716	2.5
123.15915	2.1
128.06166	3.8
129.07022	17.9
131.08543	3.8
133.10162	14.0
135.11723	3.7
143.08575	10.5
145.10135	12.8
147.08051	5.4
147.11711	42.3
150.92017	1.8
161.09636	6.3
161.13271	18.6
171.11690	30.5
177.12663	1.9
189.12743	11.0
207.13872	17.0
235.95964	2.1
281.17465	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1748
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03951	8.4
55.01871	4.4
55.05265	2.3
55.05516	33.5
57.03187	2.4
57.03442	27.3
65.03927	5.3
67.05511	91.7
69.03412	2.2
69.06784	1.4
69.07079	16.1
69.85819	4.5
69.86231	5.0
71.05000	3.5
73.06557	2.4
75.14692	1.8
79.05500	100.0
81.03422	16.4
81.06577	3.4
81.07063	65.6
83.04988	31.9
83.08618	12.5
85.06554	2.2
91.05488	68.6
93.07056	73.3
95.04981	27.6
95.08054	2.5
95.08613	37.8
97.02908	1.7
97.06516	5.6
97.10181	3.4
98.21470	3.4
105.04522	1.7
105.07040	48.7
107.04940	6.3
107.08601	23.3
109.06512	10.5
109.10167	7.2
111.08089	2.4
117.07014	8.1
119.08599	28.4
121.06469	3.6
121.10152	4.9
123.08068	9.3
123.11767	1.8
127.07592	2.8
128.06238	3.6
129.07016	18.4
131.08557	3.5
133.06416	2.3
133.10124	14.3
135.08052	1.9
135.11652	3.2
143.08537	8.3
145.10147	12.5
147.08029	3.2
147.10657	2.8
147.11713	39.7
156.40588	1.8
161.09662	4.4
161.13263	18.5
165.09122	2.0
171.11705	27.0
179.14299	2.3
189.12770	12.2
207.13823	14.1
274.11383	1.5
281.17490	41.2
296.23721	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06339	1.7
53.03937	6.4
55.01870	5.4
55.05519	33.0
57.03185	2.8
57.03441	31.1
57.07084	3.7
63.07747	1.8
65.03930	4.1
67.05511	93.7
69.03451	1.7
69.07076	18.3
71.04993	4.8
71.56228	2.3
73.06541	4.3
78.94528	1.7
79.05500	100.0
81.03426	16.2
81.07065	79.6
83.04540	3.2
83.04990	32.5
83.08617	12.5
85.06550	4.0
91.05489	76.4
93.06470	3.7
93.07054	73.7
95.04974	28.9
95.08613	53.0
97.06532	6.4
97.10159	4.7
99.08110	3.0
103.05489	2.1
105.06381	3.2
105.07042	54.3
107.04974	9.3
107.08607	26.8
109.06525	8.4
109.10194	10.1
111.08117	2.7
117.07044	11.5
119.08592	34.2
121.06506	4.7
121.10154	7.5
123.08076	7.7
123.11733	4.2
125.09660	2.1
128.06186	2.6
129.07007	20.3
130.41336	1.6
130.95276	1.9
131.08595	4.1
133.06461	3.7
133.10136	15.0
135.11719	4.4
137.09613	2.5
143.08574	11.2
145.06558	2.2
145.10127	12.0
147.08073	4.9
147.11696	45.5
150.39177	1.6
161.09644	4.6
161.13264	17.4
171.11703	34.7
189.12804	10.6
207.13834	12.4
281.17474	42.8
281.20828	3.9
281.23846	3.5
299.06256	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	281.1748
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03947	9.4
53.73128	1.1
55.01861	4.2
55.05513	32.8
57.03440	29.3
57.07071	2.9
59.04991	1.7
65.03933	2.4
67.05506	81.1
69.03433	1.7
69.06725	1.3
69.07066	15.8
71.04981	4.3
79.05494	100.0
81.03416	13.1
81.07059	62.1
83.04984	31.8
83.08627	10.7
85.02915	1.4
85.06543	3.8
91.05485	66.1
93.07050	67.5
95.04974	27.6
95.08611	40.4
97.02892	1.5
97.06544	6.4
97.10165	4.7
98.20694	2.1
99.08051	1.7
105.07034	46.5
107.04969	6.7
107.08598	21.3
109.06538	8.8
109.10140	7.4
111.08077	2.0
113.09676	1.8
115.05448	1.9
117.07007	9.0
119.08587	33.9
119.09433	2.3
121.06498	3.3
121.10178	6.2
123.08086	8.4
128.06219	4.1
129.07005	18.3
131.08636	2.2
133.06503	1.4
133.10132	14.3
135.11665	3.4
143.08575	10.3
145.10114	12.0
147.08011	3.4
147.11694	34.7
153.88458	1.1
155.08496	1.3
156.09375	1.9
161.09621	4.8
161.13260	15.4
163.11215	2.2
165.09027	1.4
169.10146	1.1
171.11694	29.4
179.14294	1.7
185.94417	1.1
189.12732	9.9
207.13828	12.6
229.04340	1.2
266.99908	1.4
281.17474	38.2
299.06171	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	281.1748
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.02392	1.8
53.03958	8.4
54.47908	1.1
55.01862	4.9
55.05516	33.8
57.03443	28.4
57.07063	2.3
65.03929	5.0
67.05510	85.0
68.05820	1.4
69.03418	1.5
69.07072	17.6
70.97121	2.0
71.04979	3.5
73.06536	3.4
77.03917	1.4
79.05499	100.0
81.03428	15.1
81.07063	69.8
83.04987	33.6
83.08633	10.2
85.06525	4.9
91.05486	73.1
93.07052	75.5
95.04974	29.8
95.08617	42.2
97.02885	1.9
97.06522	6.1
97.10168	4.3
99.08115	1.6
103.05492	1.8
105.04517	2.2
105.07035	50.8
107.04968	9.4
107.08603	24.3
109.06528	8.9
109.10145	7.1
111.08067	3.1
113.05981	1.1
115.05425	1.6
117.07022	11.6
119.08588	34.8
121.06529	3.1
121.10140	4.8
123.08089	12.3
123.11648	1.4
125.90823	1.2
127.07517	1.7
128.06216	3.5
129.07008	18.6
130.04720	1.1
130.07750	1.2
131.08557	5.0
133.06477	1.7
133.10147	14.3
135.08055	1.3
135.11685	3.5
138.62086	1.1
143.08588	7.4
145.10149	12.5
147.08052	3.8
147.11693	42.1
151.14819	1.1
156.09337	1.6
159.11690	2.0
161.09564	3.6
161.13263	14.0
163.11168	1.1
169.10115	1.2
170.63744	1.2
171.11710	31.2
179.14317	2.1
189.12750	11.3
207.13843	13.6
266.99725	1.6
281.17471	49.1
299.06076	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	281.175
Annotation	Myxostiolide
Peak:m/z	Relative Intensity
51.02357	1.9
53.03939	9.4
55.01881	7.4
55.05516	55.7
57.03192	1.9
57.03443	28.5
57.07081	26.5
58.06591	1.7
61.22204	1.4
65.03940	4.0
67.05508	89.6
69.03436	1.5
69.07071	60.9
69.89905	6.5
71.04993	4.0
71.08641	15.2
72.04504	2.7
72.08136	3.6
73.06565	1.8
74.57709	1.3
79.05498	100.0
81.03417	14.4
81.07061	81.3
83.04986	36.5
83.08138	2.4
83.08622	44.1
85.06530	4.1
85.10168	4.9
86.06061	6.9
86.09678	1.8
91.05486	69.8
93.07049	79.6
95.04974	26.9
95.08609	54.5
97.06536	19.1
97.10173	37.7
99.08131	1.6
100.07636	9.1
105.04507	2.7
105.07034	44.5
106.65916	1.5
107.04958	7.2
107.08597	32.3
109.06516	6.2
109.10155	17.1
111.08076	11.7
111.11723	11.6
113.09617	1.9
114.09187	8.8
115.05450	2.6
117.07024	9.0
119.07778	2.4
119.08582	31.4
121.06487	3.1
121.10152	16.2
121.10949	2.7
123.08077	9.2
123.11710	5.9
125.09635	7.0
125.13270	3.1
127.07552	2.8
127.11186	1.8
128.06233	3.3
128.10727	7.5
129.07013	15.5
131.08533	2.7
133.06483	1.9
133.10132	13.2
135.08089	1.5
135.11682	15.9
137.13261	3.3
139.11162	4.7
142.12276	3.1
143.08566	8.8
145.10126	9.5
147.08051	3.5
147.11702	37.3
149.13266	9.1
151.14798	4.0
153.12749	2.1
156.09462	2.0
156.13829	3.1
161.09616	4.3
161.13258	17.2
163.14795	4.5
165.16382	1.9
167.14316	2.0
169.15878	1.5
170.15450	1.8
171.11693	25.9
177.16457	3.3
180.12230	1.4
184.16971	3.1
189.12749	10.2
191.17868	2.6
198.18674	1.7
207.13846	9.7
220.81912	1.4
227.65036	1.3
229.89087	1.7
240.27182	1.3
247.24211	22.7
265.25269	16.5
269.17285	1.5
281.17548	32.1
282.27917	57.4
282.31061	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	281.1747
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03941	11.3
54.21538	2.1
55.01869	5.5
55.05508	38.2
55.97619	2.1
57.03183	2.6
57.03437	27.5
57.07062	2.4
59.33586	2.2
59.58103	1.9
62.57559	2.1
65.03938	2.4
65.68323	2.1
67.05504	90.6
69.03455	2.2
69.07071	17.2
71.05008	4.2
71.05367	2.3
71.31290	4.4
72.82912	2.5
73.06573	3.2
79.05492	100.0
80.75411	2.5
81.03425	14.5
81.07057	74.1
83.04481	3.0
83.04981	38.0
83.08628	13.6
83.16319	2.0
85.06545	3.2
91.05482	76.7
92.90362	2.2
93.07041	78.4
95.04970	31.0
95.08604	46.9
97.06532	9.5
97.10161	7.4
99.08102	3.0
103.05447	2.1
105.04510	2.9
105.07027	59.1
107.04938	9.1
107.08583	28.4
109.06504	10.1
109.10150	8.3
117.07019	10.0
119.08576	35.3
121.06523	4.5
121.10143	6.9
123.08063	9.2
127.07568	3.9
128.06215	3.0
129.07005	21.6
131.08493	2.6
133.10107	13.8
134.33627	2.7
135.11653	4.5
143.08546	8.4
145.10129	12.6
147.08055	5.0
147.11671	44.5
156.09357	2.8
159.11661	2.9
161.09651	4.6
161.13257	18.6
163.11185	2.2
171.11678	35.2
185.58443	2.2
189.12762	9.8
207.13838	13.6
208.38498	2.5
281.14734	2.8
281.17471	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	281.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	7.2
57.03420	9.5
61.02932	13.6
69.03433	14.0
71.01629	5.8
73.02911	9.7
81.03410	4.4
85.02895	7.8
91.05470	17.1
95.04982	15.7
97.02904	17.3
97.33413	2.5
103.03957	27.8
103.05457	4.5
105.03387	4.3
105.07045	22.5
105.32746	2.9
107.04968	52.9
115.05459	4.3
117.05490	2.7
117.07001	10.2
119.04956	26.2
119.08580	6.2
121.02852	16.0
121.06509	12.0
123.04444	76.0
123.07997	3.9
128.06242	6.7
129.07004	5.9
131.04932	28.3
133.02824	9.2
133.06509	76.2
135.04408	5.9
136.06172	9.7
139.03850	6.0
145.06499	36.8
147.04419	71.3
147.08055	29.0
148.04785	5.0
149.05974	18.4
153.06938	5.8
155.06061	4.1
157.05363	4.4
157.06511	43.0
159.04425	22.4
159.08073	4.0
160.05251	7.3
161.05991	100.0
162.04106	7.0
165.05472	26.2
169.06468	4.1
171.05585	5.8
171.08014	15.6
173.06003	72.2
175.07541	29.6
177.05501	37.6
181.06517	15.5
185.06021	25.2
187.07558	6.3
189.05482	8.6
191.07079	14.3
197.05969	5.6
199.07547	45.2
201.05482	9.6
203.07004	16.9
207.06412	3.2
215.07047	4.7
217.08559	8.7
221.08118	29.5
227.07063	16.8
242.97455	2.8
245.08044	16.0
263.09280	6.5
263.13892	2.9
281.04581	3.8
281.10370	13.2
281.14792	4.6
283.02914	2.7
287.70892	3.1
290.05124	2.5
299.06134	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	281.102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	10.6
57.03442	5.9
61.02927	5.9
68.08848	2.4
70.29015	8.9
71.01354	3.3
73.02897	4.5
81.03418	5.4
83.01352	4.0
85.02909	4.1
87.57658	2.2
89.12094	2.4
91.05480	11.3
93.03441	3.3
95.04965	17.4
97.02892	22.5
98.58187	2.2
99.93457	2.4
103.05473	6.4
105.07023	17.8
107.04963	62.0
115.05487	3.5
117.07030	5.5
119.03538	3.0
119.04948	25.7
119.08597	6.4
120.06581	2.8
121.02868	20.3
121.06522	11.2
123.04440	100.0
128.06203	5.7
129.07054	2.6
131.04936	28.6
133.06509	81.9
135.04440	6.4
136.06192	49.6
139.03928	10.1
141.07025	2.8
145.06494	28.7
147.04419	45.4
147.08043	32.6
149.05992	21.8
151.03954	2.6
151.07571	4.1
153.07001	8.0
155.06125	3.3
157.06503	33.2
159.04416	27.4
159.08046	6.4
160.05190	10.2
161.05994	38.4
162.04137	25.8
165.05498	37.9
169.06551	2.9
171.08057	16.6
173.05988	55.0
175.07559	30.8
177.05478	46.1
179.07030	2.8
179.56903	2.4
181.06540	12.0
185.05975	20.1
187.07549	8.3
189.05490	4.8
189.09212	2.8
191.07048	8.1
199.07547	47.4
201.05492	5.9
201.09158	3.2
201.40474	2.3
203.07019	19.8
210.55020	2.6
215.07025	4.7
217.08539	14.1
219.06630	2.7
221.08090	45.7
227.07048	15.8
233.08064	2.9
245.08141	22.5
263.09174	4.6
281.10147	12.8
288.93839	2.2
299.06085	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
55.01871	0.9
56.05035	1.4
65.81261	0.4
67.05507	0.9
70.06588	0.5
71.04978	0.4
71.07700	0.8
73.02914	0.5
73.04749	0.8
74.06087	2.3
77.03933	1.9
79.05494	0.7
81.03419	0.6
81.07045	0.7
85.02902	0.8
89.03902	0.5
91.05497	1.3
93.07079	0.5
93.21758	0.3
94.04063	0.5
95.04974	1.2
95.08589	0.6
95.80251	0.3
97.02882	1.2
97.10152	0.3
102.05549	1.0
103.05487	0.7
105.03391	4.4
105.07049	0.9
107.04947	4.0
109.06520	0.3
109.10215	0.6
113.01719	0.9
115.05495	0.5
117.03399	0.6
117.07018	0.6
119.03570	5.7
119.04896	1.8
119.08641	0.6
120.06590	7.4
120.07976	0.4
121.02861	1.9
121.06480	0.4
123.04436	5.3
128.06213	0.4
128.77539	0.3
131.04947	1.4
131.08635	0.4
133.02869	9.9
133.06500	4.4
134.03651	2.6
134.05997	0.5
135.04478	1.8
136.06198	100.0
137.04608	3.5
137.05640	0.4
139.03935	0.6
145.02856	0.9
145.06520	1.4
147.04442	4.6
147.08070	1.6
148.04735	0.7
149.02345	0.8
149.05977	0.8
150.02716	0.4
151.02786	0.5
151.03874	0.4
153.06978	0.4
157.06500	1.4
159.04431	1.3
160.05196	0.4
161.02345	1.4
161.05957	1.9
162.04132	58.7
163.03888	3.0
165.05487	1.8
165.06755	0.3
171.08096	0.7
173.05997	2.1
175.03937	0.4
175.07555	1.1
177.05490	1.7
179.03354	0.5
179.08571	0.3
181.06587	0.6
185.06009	1.4
187.07585	0.4
189.05441	0.6
189.06995	0.5
191.03406	0.5
191.07100	0.6
196.84589	0.3
197.06001	0.5
199.07536	1.5
203.06918	0.7
207.08081	0.5
209.03906	0.4
217.08662	0.6
221.08081	1.7
225.05597	0.6
227.07082	0.5
232.09622	0.4
233.08199	0.6
235.05376	0.9
235.07643	0.9
237.03903	0.8
245.08040	1.2
263.07092	1.2
266.99982	1.5
281.04208	2.1
281.10095	7.7
281.14569	0.5
283.03076	2.2
299.06177	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	279.2319
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03949	1.1
55.01882	0.5
55.05513	10.1
57.03439	0.8
57.07082	5.4
65.03944	3.5
67.05508	94.1
68.05851	0.6
69.07071	12.0
71.05003	1.6
79.05499	14.2
81.07061	100.0
83.04990	1.1
83.08636	5.3
85.06543	1.2
90.83971	0.4
91.05487	5.3
93.07049	14.2
95.04957	0.7
95.08611	81.6
96.08934	0.7
97.06561	1.3
97.10178	2.9
99.48700	0.5
105.07039	3.6
107.08595	8.2
109.06532	1.4
109.10162	49.4
111.08099	1.2
111.11720	0.8
117.07005	1.7
119.08610	2.8
121.02917	0.7
121.06532	0.6
121.10143	8.8
123.08083	1.0
123.11716	27.1
125.09674	0.7
127.07571	0.7
131.08578	4.3
133.10156	2.6
135.08028	1.3
135.11702	5.6
137.09654	1.0
137.13268	9.3
145.10100	2.6
147.11688	2.7
149.02351	25.2
149.09616	1.7
149.13275	2.8
151.11200	1.2
151.14839	2.9
159.11713	2.6
161.13231	2.3
163.11188	1.7
163.14841	2.0
165.12711	1.2
165.16405	0.8
167.10680	1.3
173.13196	2.7
175.14749	0.4
176.73526	0.5
177.12744	1.4
177.16393	0.8
181.12326	1.2
187.14890	3.5
191.14334	1.3
195.13831	2.0
201.16408	0.6
205.15988	0.6
209.15442	3.2
218.80109	0.5
223.16895	2.9
229.04346	0.5
237.18549	1.6
243.21069	2.8
261.22119	4.7
264.30829	0.5
279.09253	1.3
279.19827	2.4
279.23193	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	279.232
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03949	1.7
55.05513	9.9
57.03452	0.8
57.07074	4.0
62.41945	0.4
65.03934	2.6
66.04721	0.7
67.05507	93.4
69.07071	9.8
69.34408	1.1
69.34818	3.1
71.04996	1.2
71.08640	0.7
79.05497	13.0
81.07059	100.0
82.07379	0.5
83.04995	1.3
83.08619	5.3
85.06542	1.4
91.05482	4.4
93.07051	13.1
95.04991	0.6
95.08610	78.4
97.06542	1.4
97.10178	3.3
99.08069	0.6
104.48189	0.5
105.07033	3.2
107.08606	8.4
109.06519	1.0
109.10159	46.1
110.10531	0.7
111.00773	0.5
111.11736	1.2
113.06049	0.6
117.07055	1.3
119.08571	3.3
121.02879	1.0
121.10153	6.5
123.08083	1.5
123.11715	24.3
125.09601	0.7
131.08603	3.6
133.10164	3.1
135.08055	1.0
135.11697	4.6
137.09637	1.3
137.13264	9.0
139.11165	0.7
141.09091	0.6
145.10149	2.9
147.11702	3.0
149.02348	22.5
149.09656	1.4
149.13275	2.6
151.11179	1.0
151.14825	3.2
159.11688	2.7
161.13303	2.2
163.11241	1.2
163.14841	1.8
165.12788	1.3
165.16409	0.9
167.10698	0.9
173.13286	3.6
175.14908	0.8
177.12747	1.5
177.16417	0.9
179.14368	1.3
181.12256	2.2
187.14813	2.2
191.14357	1.4
195.13802	2.6
201.16412	0.7
205.15868	0.8
209.15334	3.0
219.05833	0.7
219.21130	0.8
223.16916	2.6
237.18567	1.2
243.21037	2.4
261.22162	5.0
279.09369	1.0
279.19870	2.3
279.23184	41.6
280.23520	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1956
Annotation	3-[(Acetyloxy)methyl]-6-(1,5-dimethyl-4-hexenyl)-2-cyclohexen-1-one
Peak:m/z	Relative Intensity
51.02386	0.7
51.41829	0.7
53.03939	3.1
55.01877	7.1
55.05516	40.0
57.03431	1.8
57.07079	23.3
59.05012	0.9
61.72880	0.7
65.03927	2.7
67.01872	7.0
67.05182	1.1
67.05512	19.2
68.99795	41.9
69.03432	4.7
69.07073	44.4
69.44901	3.3
69.45329	2.1
71.05013	1.1
71.08636	5.2
79.05057	1.2
79.05497	19.4
81.03445	4.2
81.07063	19.7
83.04633	0.6
83.04992	7.2
83.08627	20.6
85.02917	1.3
85.06525	2.0
85.10180	2.6
87.00820	1.7
91.05488	6.4
93.03424	1.1
93.07053	16.6
95.04981	3.8
95.08611	18.6
97.02880	4.8
97.06539	12.9
97.09557	1.1
97.10173	15.3
99.04471	1.1
105.07045	4.7
107.04961	9.7
107.08600	13.1
109.06492	3.3
109.10168	9.9
111.00813	85.5
111.04443	16.4
111.08081	5.0
111.11716	3.2
113.02355	0.9
115.03893	1.2
117.07009	3.3
119.08578	3.4
121.02845	4.9
121.06515	2.4
121.10156	13.5
123.04379	0.9
123.08050	2.0
123.11713	2.9
125.05997	7.2
125.09648	3.5
126.03127	6.6
127.03931	22.2
131.08612	3.9
133.10106	2.5
135.08043	8.0
135.11703	11.5
137.09621	2.6
139.03914	43.5
139.07527	3.3
139.11177	2.9
145.06499	2.1
145.10129	4.2
145.43520	0.7
147.11729	1.2
149.02353	79.0
149.09622	3.7
149.13266	2.9
151.07521	1.3
151.11212	1.5
153.05490	2.8
153.09131	3.0
153.12743	4.1
157.08607	1.7
159.08038	2.2
159.11707	2.5
163.07535	1.8
163.11215	1.9
163.14790	0.9
165.09187	1.0
167.03450	1.5
167.07068	5.0
167.10736	4.7
167.14372	0.7
167.58575	0.7
171.10179	2.7
173.13283	0.9
175.14772	1.9
177.09151	1.8
177.12740	2.0
177.16412	4.7
179.14351	0.8
181.08630	8.3
181.12210	4.2
185.11722	4.0
187.11130	1.0
191.14331	0.9
191.17970	4.1
195.10184	13.1
195.13826	2.6
195.17412	0.9
199.13332	3.1
201.16389	3.1
203.26695	0.8
205.08600	19.9
205.12286	1.0
209.11736	20.7
209.19008	1.7
213.14905	0.9
213.41431	0.7
215.10680	6.4
215.17989	1.0
219.05714	1.5
219.13751	0.7
219.17412	4.7
223.13309	21.2
233.11720	6.9
233.19044	2.3
237.14886	10.1
237.18459	15.1
255.19539	4.5
259.21127	0.7
261.11246	1.2
261.18549	1.7
279.09390	2.0
279.19568	100.0
280.19873	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1955
Annotation	3-[(Acetyloxy)methyl]-6-(1,5-dimethyl-4-hexenyl)-2-cyclohexen-1-one
Peak:m/z	Relative Intensity
53.03941	1.4
55.01868	7.5
55.05514	44.6
57.03444	1.2
57.07078	28.8
59.05001	1.3
65.03938	3.0
66.50982	0.7
67.01870	6.9
67.05508	18.8
68.99794	51.1
69.03430	5.7
69.07070	53.1
69.39541	6.2
71.05000	1.8
71.08633	5.5
75.04330	0.7
79.05489	14.8
81.03427	3.0
81.07059	21.5
83.04984	9.3
83.08620	26.2
85.06574	1.5
85.10186	2.4
87.00832	1.6
91.05502	3.8
93.03429	1.9
93.07044	21.4
95.04971	2.7
95.08606	18.5
97.02898	5.9
97.06535	13.3
97.10175	20.3
98.68119	0.8
99.04470	1.2
105.07025	4.0
107.04956	3.9
107.07951	1.3
107.08604	14.6
109.06495	2.2
109.10159	10.3
111.00809	99.5
111.04449	19.3
111.08103	6.3
111.11744	5.4
113.02391	1.0
115.03922	0.8
117.07009	2.1
119.08599	3.3
121.02892	4.6
121.03999	0.7
121.06477	3.7
121.10151	18.4
123.04467	1.4
123.08086	3.3
123.11718	4.1
125.05988	5.6
125.09657	4.1
125.13326	0.8
126.03147	7.2
127.03924	26.0
131.08559	3.2
133.10118	2.6
135.08083	5.4
135.11700	13.9
137.09627	2.1
137.13266	1.0
139.03906	56.1
139.07507	4.6
139.11179	3.5
141.05525	1.0
145.10143	2.6
147.08069	0.8
149.02350	93.5
149.05980	2.1
149.09628	5.4
149.13274	5.3
151.07547	1.2
153.05421	3.5
153.09106	5.0
153.12759	3.8
157.08600	2.7
159.11679	3.6
161.13274	1.5
163.07527	2.2
163.11232	5.0
163.14806	1.1
163.18649	0.8
165.09108	1.3
167.03430	1.7
167.07028	8.5
167.10735	4.8
171.10173	5.4
173.13341	1.1
175.14825	1.5
177.09123	1.7
177.12782	2.3
177.16411	5.3
181.08604	9.9
181.12206	5.9
185.11806	4.8
187.11243	0.9
191.10625	1.2
191.17953	4.9
195.10182	13.3
195.13765	1.7
195.17355	0.8
199.13335	4.4
201.16368	5.3
205.08578	1.3
205.12186	1.0
209.11746	24.5
209.18884	1.2
213.14801	1.0
219.05763	1.2
219.17409	6.4
223.13301	24.0
233.19002	2.6
237.14899	12.4
237.18506	17.1
251.16499	1.4
255.19527	3.2
261.18515	3.0
262.53381	0.7
279.09406	2.8
279.19562	100.0
280.20007	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96549	0.7
57.07079	5.2
65.03934	1.0
65.91209	0.6
67.05502	0.9
67.13668	0.5
70.76453	0.6
71.25964	1.3
78.34988	0.7
79.05508	0.8
83.50009	0.6
85.02870	0.6
87.04469	2.2
91.05490	2.0
93.07019	0.8
95.04983	14.4
97.02875	0.7
103.05505	0.8
105.07013	0.9
107.04960	1.7
115.03947	6.8
117.07115	1.1
119.04948	1.6
121.02914	3.2
121.06523	2.0
123.04441	100.0
131.04980	1.4
133.06485	1.4
135.08153	0.6
141.07037	0.8
145.06480	2.8
147.04437	8.7
149.02354	39.7
151.03897	0.6
159.08104	0.9
161.06053	1.8
163.03874	0.6
163.07509	0.6
165.05489	36.5
167.03342	0.7
169.06480	1.4
169.27831	0.6
171.04498	0.5
173.05971	3.9
187.07617	1.0
189.05533	1.0
191.07072	2.5
193.05020	1.0
197.05994	2.9
199.07629	0.7
201.05537	1.4
205.04974	1.0
205.08653	0.8
210.65901	0.6
215.07057	2.2
219.06581	3.5
225.05377	0.9
233.08130	0.9
239.02316	1.1
243.06544	4.3
261.07611	1.7
279.08929	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54436	1.2
55.01872	3.7
57.03433	2.0
57.07075	5.0
58.85888	1.3
61.02924	2.3
64.73953	1.3
69.03432	1.8
70.40016	5.6
73.02919	3.8
79.05494	1.4
85.02912	3.2
86.09708	1.4
87.04430	1.3
91.05500	7.1
91.74943	1.4
95.04992	15.0
97.02909	2.9
103.03951	5.4
103.05492	3.7
105.07063	2.4
107.04951	6.1
113.02320	1.6
115.03922	6.0
115.05489	5.1
117.07014	6.1
117.97451	1.7
119.04964	17.4
121.02856	7.6
121.06524	2.6
123.04441	100.0
128.06268	1.8
129.06987	2.1
131.04921	11.7
131.08540	3.5
133.06503	15.1
141.06976	7.5
144.05714	2.5
145.06500	48.3
147.04420	91.0
147.08096	2.6
147.40710	1.5
149.02357	52.4
149.06017	3.8
155.03438	2.3
155.06055	3.1
157.06505	11.4
159.04453	4.4
159.08076	7.3
160.05302	1.9
161.05997	17.4
163.03893	2.4
165.05495	35.3
169.06526	6.0
171.04404	8.7
171.08060	4.8
173.05998	41.1
175.03905	8.3
175.07552	6.4
177.05486	19.9
181.06456	3.2
184.05173	2.1
185.06036	13.7
187.07545	8.2
189.05515	12.7
191.07068	5.6
193.05087	2.9
197.04388	1.6
197.06007	20.2
199.07487	7.7
201.05511	20.0
215.07050	25.0
217.04974	2.5
219.06543	33.2
231.06493	3.4
233.08066	15.6
243.06557	10.1
261.07617	9.4
266.91785	1.4
279.06256	1.4
279.08768	11.2
279.12985	1.7
302.41684	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2165
Annotation	Stearidonate
Peak:m/z	Relative Intensity
50.15147	0.7
51.02381	1.3
51.65887	0.8
53.03952	6.2
54.03465	0.9
55.01879	2.8
55.05517	18.0
57.03440	1.8
57.07080	4.8
59.04991	0.7
61.26801	0.7
65.03961	1.0
67.05511	37.3
69.03426	1.4
69.04536	0.8
69.07073	14.8
71.04996	2.5
71.08638	21.7
71.10876	0.9
71.11197	0.9
73.06554	0.7
77.03928	1.2
79.05500	59.0
81.03435	4.6
81.07065	49.9
81.07569	0.8
83.04987	4.5
83.08620	8.4
85.06556	2.8
85.07674	1.0
91.04907	0.7
91.05045	0.5
91.05487	28.5
93.07053	100.0
95.04980	10.0
95.06140	0.8
95.08611	29.7
97.06535	4.6
97.10201	4.0
99.08106	15.1
105.04562	1.4
105.07040	18.2
105.07764	1.0
106.41305	0.7
107.04991	3.8
107.08603	45.6
108.00611	0.8
109.06537	2.8
109.07669	1.3
109.10162	10.9
110.07188	1.7
111.08097	1.4
111.11720	0.9
113.09711	0.8
117.07002	4.5
119.08589	11.1
121.06513	1.7
121.10155	42.5
122.07222	1.0
123.08084	1.9
123.11723	2.1
127.11277	1.0
129.07010	2.0
131.08566	5.1
133.10156	10.5
135.08084	1.5
135.11710	48.4
136.08723	0.8
137.09639	2.3
141.09097	1.9
141.12769	0.8
143.08565	2.0
145.10144	4.9
147.11700	7.2
149.13272	16.5
151.09978	1.5
151.11180	8.9
153.09158	1.2
157.10185	1.6
159.11697	3.6
159.12868	0.7
161.09636	1.0
161.13304	7.2
163.11186	3.7
163.14856	4.5
167.10728	1.5
171.11713	1.6
173.13304	0.9
175.09784	0.8
175.11235	1.6
175.14862	2.1
177.12775	2.8
179.10597	0.9
179.14322	26.3
181.12247	1.2
185.13254	2.8
189.12805	1.4
191.14369	0.7
193.10844	0.8
195.13803	2.3
203.14264	0.7
207.13797	1.2
209.15494	0.8
221.15338	4.8
235.13188	1.7
235.16891	6.6
241.19606	1.8
259.20569	4.5
277.18353	3.9
277.21646	80.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2164
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03952	5.2
54.72305	1.2
55.01859	1.9
55.05264	1.3
55.05511	18.3
56.66317	1.0
57.07065	3.4
57.40450	1.0
67.05170	2.1
67.05506	32.3
69.07071	15.2
70.82364	0.9
70.96693	2.6
71.04971	2.0
79.05498	76.3
81.07060	35.4
83.04964	1.4
83.08609	4.8
83.92685	1.2
85.06557	2.8
87.01060	1.0
91.05486	27.4
93.07051	100.0
95.04980	6.8
95.08614	25.2
97.06504	1.9
97.10170	4.5
105.04512	1.8
105.06493	1.3
105.07047	15.1
107.08597	48.8
107.83639	1.2
109.06508	3.2
109.10167	9.7
111.08095	1.2
117.07018	2.7
119.08572	11.0
121.10147	49.3
123.08055	1.4
123.11720	2.9
125.09673	1.3
129.06958	1.6
131.08568	4.0
133.10152	11.8
135.08089	1.8
135.10675	2.4
135.11705	48.5
143.08542	1.5
145.10104	3.6
147.11664	7.0
149.13266	25.3
157.10133	1.8
159.11693	2.7
161.13264	3.5
163.14804	5.8
171.11646	3.1
173.13263	1.4
175.14854	2.9
185.13266	1.4
199.14886	1.3
207.13818	1.7
213.16389	1.8
221.15388	3.3
235.16963	3.5
241.19437	1.8
259.20651	5.0
277.21637	57.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.0
55.01880	1.7
55.05511	15.3
57.07070	4.1
62.34092	1.3
65.03921	1.8
67.05169	2.5
67.05505	33.1
69.07067	16.9
69.94505	6.3
71.05003	2.2
77.03895	1.6
79.05495	77.9
79.26202	1.4
81.07060	37.8
83.04970	1.3
83.08641	7.0
91.05485	27.3
93.07048	100.0
95.04937	6.6
95.08611	27.3
97.06541	3.3
97.10175	3.5
105.04512	2.0
105.07036	13.6
107.08598	58.6
109.06536	2.3
109.10150	14.6
117.07003	4.1
119.08588	10.0
121.09315	2.8
121.10151	42.8
123.11701	3.4
125.09567	1.6
129.07051	1.8
130.43057	1.3
131.08601	3.0
133.10112	12.4
135.08125	1.3
135.11696	62.5
143.08583	2.4
145.10103	3.9
147.11674	7.3
149.09692	1.5
149.13255	24.1
151.11151	1.2
151.40651	1.3
156.60454	1.5
157.10132	1.8
159.11703	3.6
161.13290	4.9
163.14865	7.4
167.10678	1.6
167.41666	1.2
171.11678	3.3
173.13251	2.9
175.14778	1.5
179.10710	1.7
181.12177	2.2
185.13306	2.1
193.12309	1.4
195.13658	1.6
213.16467	2.2
217.16052	1.6
221.15388	2.6
235.16960	6.1
241.19595	1.7
259.20581	2.9
277.21640	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	277.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	5.3
55.01860	1.3
55.05512	18.6
57.07075	6.4
65.03919	1.3
67.05180	2.1
67.05506	29.8
69.07081	16.2
69.96694	2.3
69.97078	2.5
71.04979	2.6
79.05496	76.8
81.07059	43.1
83.04997	1.6
83.08630	5.5
91.05481	28.6
92.31134	1.1
93.07047	100.0
94.07388	1.1
95.04967	5.9
95.08607	24.5
97.06519	2.6
97.10153	4.4
105.04517	1.4
105.06378	1.6
105.07034	18.1
107.08600	51.4
109.06532	2.2
109.10165	10.8
117.07018	4.9
119.08571	11.3
121.10148	44.5
123.08061	2.7
123.11707	2.8
131.08568	4.6
133.10138	11.1
135.11697	47.1
143.08559	3.2
145.10103	3.2
147.04367	2.3
147.11699	7.4
149.09645	1.8
149.13245	20.1
156.96288	1.3
157.10211	1.3
159.11679	3.1
161.09674	2.1
161.13258	3.5
163.11166	1.4
163.14783	4.2
165.05490	2.6
165.12778	2.1
171.11685	2.2
173.13261	2.0
175.04503	1.5
175.07468	1.3
175.11131	2.3
175.14812	2.7
179.10641	1.6
179.14452	1.2
193.12198	1.3
195.13808	2.1
207.13737	2.2
213.16353	2.2
221.15332	4.4
235.16963	6.7
241.19525	2.4
259.20587	5.1
277.18396	4.0
277.21631	66.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0921
Annotation	Ranunculin
Peak:m/z	Relative Intensity
51.28023	1.0
54.81599	1.1
55.01865	1.7
56.96573	97.1
57.03435	1.8
57.07069	2.0
59.04998	4.3
61.02917	1.3
64.32613	0.9
69.03426	5.7
69.80089	6.7
71.95257	4.1
73.02894	2.0
79.05481	1.3
81.03413	4.2
82.99854	1.2
84.96037	4.5
85.02901	9.7
87.04480	21.3
97.02876	4.3
97.13944	1.0
98.21253	2.5
98.97597	65.0
99.04440	2.1
101.00882	7.6
102.85658	1.0
103.05478	33.3
105.07046	6.9
107.04948	2.2
109.02867	2.5
110.97621	1.8
114.72559	1.1
115.03947	56.7
116.98639	47.5
119.01939	22.7
119.04966	1.4
121.06522	1.0
128.98576	1.3
131.01903	3.1
131.04944	57.0
133.03468	5.0
133.06502	20.5
134.99675	32.0
135.04414	2.4
137.02951	4.8
139.02391	1.3
140.00233	1.2
142.01184	2.0
143.01909	3.1
145.03499	2.7
147.04498	3.2
149.05995	35.9
153.00722	2.7
156.02690	2.0
157.03519	10.0
159.01437	2.5
159.04382	12.8
160.02222	2.1
161.03014	8.4
161.05981	8.4
163.00694	1.2
163.03902	2.4
169.01755	1.5
175.00676	3.0
175.04588	5.2
177.05515	6.7
178.48264	1.2
179.00183	2.9
181.01610	2.0
183.05037	1.8
184.02159	1.3
185.01410	1.6
185.03008	3.4
187.00734	2.1
187.04550	2.0
189.04050	2.6
189.05525	3.7
191.00238	5.1
191.03802	2.1
193.01756	14.7
193.03470	1.8
195.03249	1.6
197.01176	5.5
199.02780	1.4
199.04504	2.4
200.98555	2.5
201.06076	2.4
203.04039	3.9
205.01762	41.5
205.03470	3.3
206.03789	1.9
207.03250	5.7
207.05070	16.8
208.00365	1.2
208.05283	2.2
209.01190	7.5
209.04784	1.1
211.02815	10.9
213.05719	1.4
215.02191	2.2
217.01787	4.5
217.05139	4.6
218.04233	3.0
218.97556	2.3
218.99678	20.2
219.01715	2.6
221.01237	5.3
223.02783	52.4
225.04308	4.5
225.06100	4.8
227.06020	1.4
229.03679	1.9
231.04733	5.9
231.06995	1.8
234.02138	1.3
234.99199	1.7
235.02728	27.1
235.06657	4.8
235.16946	5.1
237.00734	100.0
237.06000	4.6
238.01051	1.4
239.02263	1.3
241.03658	14.7
247.04659	1.6
248.04387	1.2
249.00655	1.5
249.03728	1.4
249.06122	6.6
253.03847	92.3
254.04147	1.8
255.01787	37.5
255.07271	2.3
259.04602	17.6
260.02365	3.0
271.04935	18.7
272.37277	1.2
273.02893	16.4
276.05463	2.5
277.03900	19.4
277.07697	72.0
277.17941	3.9
278.08182	1.2
278.60114	1.1
295.04977	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06837	0.3
53.56940	0.3
68.98283	0.3
69.03423	1.1
71.05002	0.6
72.79233	0.3
81.03405	1.3
81.99034	0.4
82.99854	1.2
85.02909	0.6
97.01381	0.4
99.04457	1.2
100.00100	1.2
101.00887	10.6
103.05487	0.5
109.02875	1.0
113.00848	1.3
115.02445	2.0
118.01138	1.6
119.01933	18.3
126.01577	0.7
127.02425	0.8
129.03943	0.6
131.01909	2.4
131.04929	1.0
133.03481	6.1
135.05031	0.3
137.02951	2.4
138.01620	0.5
139.02409	1.8
141.00339	0.3
141.03937	0.9
142.01109	2.7
143.01915	3.2
144.02690	1.5
145.03473	2.4
148.61452	0.4
149.03020	0.4
149.05997	0.9
151.04520	1.0
156.02702	3.5
157.03474	13.5
159.01428	2.8
159.05016	1.6
160.02205	2.9
161.01691	0.6
161.02971	7.7
163.04510	0.5
166.01108	0.5
167.01863	0.9
169.03462	1.4
171.05049	1.2
172.02196	0.4
173.02895	0.7
174.03819	0.5
175.04541	6.7
179.04128	0.5
181.03516	0.5
183.05060	1.8
184.02174	2.6
185.02951	4.5
187.04512	1.5
189.06052	0.5
199.04485	2.2
201.06140	2.9
203.04071	2.3
207.05019	0.6
217.05623	2.3
220.19447	0.3
228.98715	0.4
231.02388	0.4
235.04613	0.3
235.06618	8.2
249.06001	0.5
253.07742	3.2
259.04407	0.8
259.06799	0.8
262.86578	0.4
277.07690	100.0
278.07867	1.3
295.09030	2.8
299.56412	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.077
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61217	0.3
58.99837	0.3
69.03408	0.9
70.99853	0.5
71.04961	0.4
77.00871	0.3
79.87070	0.3
81.03399	1.3
81.99078	0.5
82.99838	1.0
86.99321	0.5
89.61252	0.3
93.85888	0.3
93.87018	0.3
97.01383	0.4
98.21497	1.1
99.04422	1.1
100.00077	1.3
101.00883	10.0
109.02837	0.9
113.00839	1.3
115.02433	2.2
118.01141	2.6
118.57161	0.3
119.01929	18.1
126.01690	0.4
127.02402	1.0
129.03954	0.6
131.01888	3.5
133.02530	0.6
133.03473	6.4
136.02145	0.3
137.02972	3.1
138.01637	0.6
139.02423	1.8
140.63014	0.3
141.03963	0.7
142.01167	3.3
142.03510	0.3
143.01886	3.0
144.02701	2.1
145.03473	3.0
146.11473	0.3
146.99377	0.4
147.05064	0.4
151.04472	1.3
153.59050	0.4
155.01817	0.6
156.02682	3.8
157.03479	13.4
159.01405	2.7
159.05023	2.8
160.02190	3.2
161.01730	0.5
161.02969	7.6
163.04428	0.5
166.01091	0.9
167.01871	1.5
169.03404	1.4
171.05017	1.4
173.02910	1.1
174.03603	0.4
175.04530	7.0
181.03410	0.6
183.05074	2.3
184.02171	3.1
185.02980	4.3
187.04572	2.1
189.06068	0.7
191.03915	0.4
199.04517	3.6
201.06116	3.3
203.04054	2.3
217.05533	3.1
235.06638	11.5
235.09030	0.6
241.05415	0.4
245.05064	0.5
253.07704	3.9
259.06744	0.6
259.09192	0.3
277.07635	100.0
278.07770	1.6
294.51450	0.4
295.08725	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	277.0708
Annotation	Corymbiferan lactone A
Peak:m/z	Relative Intensity
55.01876	11.3
55.93559	2.7
56.96568	27.1
68.99759	2.4
70.14056	9.6
73.02911	6.8
84.19370	1.9
84.53914	1.8
84.96045	2.1
85.02907	4.3
89.03954	4.4
91.05493	4.7
95.01299	2.0
97.02898	2.5
98.20715	2.2
98.97576	17.6
103.05472	30.0
105.07021	5.8
107.04948	2.7
113.56120	2.8
115.05453	16.9
116.98644	16.0
117.03371	6.4
118.04140	3.7
119.01890	3.7
123.04463	2.9
128.06255	4.0
129.07007	14.6
131.04933	51.6
133.06500	8.3
134.99664	7.3
135.04422	43.1
137.02357	6.1
139.03902	3.7
139.05415	8.6
141.07013	9.2
143.04948	20.1
145.06494	3.4
146.03648	10.4
147.04414	16.6
147.08154	2.8
149.05984	33.9
157.06511	21.1
159.04413	16.7
160.05154	3.3
161.05997	47.4
161.56300	2.0
162.19565	1.9
163.03918	45.0
164.04707	12.4
165.05585	2.5
167.04930	5.5
169.06540	10.8
171.04422	8.5
173.06006	8.3
175.03925	9.6
175.07602	8.9
177.05553	10.3
185.05989	41.5
187.03859	31.1
187.07561	8.7
189.01909	3.4
189.03899	3.6
189.05479	42.7
191.00191	3.2
191.03476	4.2
193.01781	5.3
193.04991	2.5
195.04356	4.0
197.06032	6.1
200.04712	3.5
200.98718	2.6
201.05540	4.9
203.03435	7.9
203.07011	18.1
205.01772	8.8
205.03345	3.6
205.05048	10.2
207.05037	11.7
207.06754	3.0
209.01221	5.2
211.02835	5.8
213.05493	58.7
215.07034	24.8
217.04979	35.5
218.97379	6.8
218.99667	15.5
223.02739	15.1
225.06094	4.8
231.06558	100.0
233.04536	2.9
235.02768	8.1
235.06136	6.6
235.16814	3.2
236.98451	5.7
237.00706	78.1
237.05939	4.9
241.03319	4.8
241.05350	3.3
249.05632	5.0
252.97742	2.8
253.03745	21.2
255.01768	33.2
259.06314	35.5
260.02274	2.6
271.04919	3.1
273.02798	7.9
277.07346	39.4
277.17963	5.1
295.06555	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	277.056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.8
55.45823	0.7
56.96569	48.3
57.03432	0.9
58.99871	1.0
61.95624	0.7
69.03424	1.7
69.07076	0.8
70.24906	0.8
70.98129	1.1
71.05026	1.1
71.47796	1.4
71.95278	1.9
77.00919	1.3
79.05476	1.0
81.03425	2.2
82.99878	1.3
84.96053	2.5
85.02925	2.8
87.04506	1.3
91.05473	1.0
95.08575	0.7
97.02956	1.1
98.97593	33.2
99.04491	2.0
100.00114	1.6
101.00901	10.6
103.05479	40.3
105.07071	3.1
107.04941	3.7
109.02901	1.9
113.00860	0.9
115.02459	1.9
115.03924	5.5
116.34354	0.8
116.98623	22.1
118.01186	2.2
119.01936	24.4
119.04956	1.2
119.54204	0.7
120.70871	0.8
121.01685	1.5
121.06546	1.0
127.03973	1.2
131.01961	2.6
131.04939	71.0
133.03496	5.4
133.06483	10.6
134.99661	11.1
135.04475	1.4
137.03018	4.9
139.02483	1.2
142.01172	2.3
143.01927	3.4
144.02759	1.6
145.03511	3.0
147.03316	0.8
147.04495	2.5
149.05992	44.4
153.00653	1.4
156.02753	3.4
157.03491	15.4
159.01431	2.4
159.04385	15.9
160.02267	2.4
161.02983	9.6
161.04239	0.9
161.04872	1.1
161.05962	5.1
163.03979	2.1
169.03410	1.0
171.02980	0.8
173.02826	1.0
173.56857	1.0
174.97693	1.2
175.00758	2.8
175.04585	6.2
177.00723	1.9
177.05481	7.0
178.55740	0.9
179.00327	0.8
181.01799	1.2
183.05098	2.7
184.02278	2.4
185.02948	4.9
187.00854	1.4
187.02798	1.1
187.04736	2.5
189.04066	4.8
189.05643	3.5
190.04346	1.0
191.00287	2.6
193.01758	6.8
197.01204	3.7
199.02835	0.8
199.04591	2.9
200.98746	2.1
201.06169	3.2
203.04060	3.4
205.01817	19.1
205.03604	5.3
206.03998	1.5
207.03293	2.9
207.05029	20.6
207.06894	1.2
208.00566	1.4
208.05296	3.0
209.01315	4.2
209.03029	0.9
211.02779	6.3
215.02530	0.9
217.01793	1.6
217.03444	1.7
217.05141	8.7
218.04211	5.2
218.99690	10.4
219.01717	1.1
221.01334	2.1
222.99460	1.1
223.02763	21.3
223.04643	3.3
225.04382	2.1
225.06210	5.2
227.05956	1.1
231.04921	5.1
233.03064	1.6
235.02829	10.2
235.04669	6.6
235.06755	6.2
235.16896	1.2
236.05133	2.1
237.00711	65.0
237.06151	2.4
239.02322	0.9
241.03522	15.0
245.05116	1.4
247.04683	2.8
249.06113	9.2
250.99298	1.2
251.02126	0.9
253.03781	40.5
253.08051	1.6
254.06300	1.4
255.01764	24.3
255.04140	1.5
255.07204	0.9
259.04581	21.7
260.02548	0.8
265.05634	2.2
267.07257	2.2
271.04831	8.2
273.02832	11.1
276.05380	0.8
277.05743	6.9
277.07840	100.0
277.17941	1.8
278.07922	1.7
283.06735	1.0
295.07013	24.1
295.09598	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25151	0.9
51.96771	0.8
55.01876	2.1
56.96569	74.6
57.03425	1.1
59.04997	1.8
61.02935	1.4
69.03434	4.7
71.34057	1.1
71.47289	1.6
71.95272	2.6
81.03429	2.3
84.96046	3.3
85.02925	3.7
87.04475	5.6
91.05499	2.0
97.02917	1.8
98.97591	50.2
99.04485	1.3
100.00101	1.0
101.00885	9.3
101.01421	1.0
103.05473	38.8
103.06129	2.1
105.07061	4.5
107.04975	3.9
109.02899	1.9
113.00911	1.3
115.02444	1.4
115.03932	14.7
116.98628	34.9
116.99435	1.7
118.01191	1.6
119.01925	24.1
121.01732	1.3
124.17165	0.8
129.03941	1.2
131.00215	2.0
131.01917	2.9
131.04936	71.9
133.03490	5.9
133.06494	16.3
134.99678	17.2
135.04495	1.6
137.02975	4.4
139.02415	1.0
139.23323	1.0
142.01146	2.2
143.01941	3.8
143.04936	1.1
145.03491	2.5
147.04449	4.4
149.05994	45.6
151.04518	1.5
153.00737	1.7
156.02730	2.4
157.03473	13.8
159.01465	2.1
159.04393	19.6
160.02226	3.3
161.02982	9.2
161.05971	8.8
163.00742	2.3
163.03932	1.6
167.01987	1.5
169.01929	1.5
169.03496	1.5
173.02904	1.3
175.00659	1.3
175.04567	7.5
177.00757	2.4
177.02237	1.1
177.05463	7.7
179.00230	1.5
181.01848	1.4
183.05104	3.2
184.02235	2.2
185.02925	7.3
187.00766	1.2
187.02840	1.1
187.04790	3.2
189.02664	1.1
189.04028	4.7
189.05573	8.0
191.00233	3.7
191.03825	1.7
192.25859	0.9
192.98892	1.0
193.01743	9.6
197.01326	3.0
199.04553	2.4
200.98715	2.1
201.06158	3.5
202.14415	1.0
203.04045	3.2
205.01767	25.4
205.03555	5.1
206.03656	1.9
207.03323	3.0
207.05043	20.3
208.05284	3.0
209.01256	5.6
209.03036	1.3
209.04933	1.2
211.02751	9.0
213.05675	2.3
217.01781	2.0
217.03491	1.7
217.05072	15.5
218.04210	4.9
218.99657	14.6
219.01477	1.5
221.01283	3.0
223.02773	40.0
224.04857	1.2
225.04324	2.9
225.06210	7.5
227.33707	1.2
229.03630	1.6
231.04857	5.3
234.04361	1.3
235.02646	18.8
235.04651	6.0
235.06726	5.9
236.05150	2.4
237.00719	81.7
237.06129	4.2
238.01067	1.5
241.03586	16.7
241.05724	1.6
246.04642	1.3
247.04684	3.5
249.03622	1.3
249.06088	9.6
253.03831	65.3
253.07953	2.3
255.01799	31.0
255.07329	1.1
259.04526	21.8
260.02460	1.7
265.05563	2.3
267.07321	1.8
271.04901	14.9
273.02838	13.4
276.05426	1.6
277.03931	12.2
277.07816	100.0
295.04880	15.8
295.06934	16.8
296.07108	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0323
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	6.5
64.36064	0.9
69.03426	1.0
70.27566	2.8
70.27942	1.5
70.98105	2.2
71.05003	1.3
81.03405	1.8
82.99834	1.2
84.70004	0.8
85.02899	1.7
88.99152	1.4
94.50914	0.9
97.02879	1.0
98.97600	11.8
101.00883	14.7
103.00600	0.9
103.02409	0.9
103.05457	2.4
109.02876	2.3
109.62710	0.9
113.00845	1.4
115.02420	2.2
116.98624	4.9
119.01930	24.5
121.01649	1.3
128.98544	1.1
131.01920	5.4
131.04974	2.2
133.03482	7.2
134.99631	1.3
137.02946	3.7
138.01604	0.8
139.02406	1.4
142.01118	2.4
143.01912	5.5
144.02684	1.7
145.03474	4.6
146.99687	1.8
149.02988	0.9
149.06023	1.3
151.04478	1.3
154.01308	0.8
155.01906	1.2
156.02621	2.4
157.03474	14.5
158.99733	0.8
159.01373	3.2
159.03128	0.8
159.05052	1.7
160.02158	2.1
161.02995	15.0
165.00699	1.1
166.01227	1.0
167.01976	1.8
169.03415	1.7
171.05005	1.9
173.03004	2.9
175.04532	7.1
181.03816	0.8
183.05038	3.1
184.02289	2.0
185.02954	6.7
187.04538	3.2
189.00758	1.1
189.04103	0.9
189.06007	1.0
199.04555	3.3
201.06094	2.4
203.04025	4.2
207.01738	1.1
207.05034	0.9
217.05594	2.2
219.01933	1.0
225.95624	0.8
235.01166	1.7
235.06650	7.1
237.00684	1.5
245.05142	3.5
252.98599	0.8
253.02289	1.9
253.07747	3.0
255.01721	1.0
258.99805	3.3
263.02969	1.3
273.02670	1.3
277.01178	4.2
277.07712	100.0
278.07846	1.0
294.98404	1.1
295.03403	4.2
295.08884	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2009
Annotation	Dicranin
Peak:m/z	Relative Intensity
52.96478	2.1
53.03937	3.3
55.01875	2.4
55.05514	14.7
57.03429	3.1
57.07080	3.5
67.05509	17.1
69.03429	3.7
69.07082	12.6
69.85976	4.9
69.86383	8.9
71.05006	33.1
71.08625	3.1
78.59715	2.0
79.05495	14.6
81.03417	2.8
81.07057	24.7
83.04989	3.6
83.08614	5.4
85.06549	12.9
91.05488	20.0
93.07044	18.8
95.04974	17.1
95.08627	31.5
97.06544	40.0
98.20810	3.2
99.04465	100.0
99.08073	4.8
105.06382	3.6
105.07045	46.3
107.08595	22.1
109.06532	10.2
109.10173	19.1
111.08089	7.9
113.09647	2.6
117.07025	7.4
119.08598	38.5
121.06533	5.2
121.10172	43.8
123.08075	6.9
123.11737	12.6
123.43859	2.4
125.93026	2.3
131.08591	12.0
133.09232	3.9
133.10152	49.5
135.08078	8.3
135.11703	4.3
137.09644	15.7
143.08540	13.0
145.10144	19.4
147.08095	3.2
147.11700	72.7
149.09651	7.8
155.10683	82.8
156.09302	2.8
157.10083	11.1
159.11690	16.3
161.09676	16.0
161.13298	4.4
163.11162	5.8
169.10117	5.1
170.10948	2.8
171.11676	8.8
173.09659	3.3
173.13324	12.7
175.11226	4.1
175.14842	10.2
177.12894	2.3
181.06470	2.3
183.11700	10.0
184.12549	3.6
186.18121	2.5
187.14865	7.9
189.16408	2.5
196.99541	3.2
197.13297	10.8
199.14827	21.8
201.12776	6.7
201.16420	3.3
209.13176	2.3
210.79814	2.3
215.14375	17.2
215.17868	3.2
217.15880	23.3
219.13789	6.0
239.17996	16.0
257.18991	19.8
275.16898	4.6
275.20093	78.8
275.23141	4.1
275.27713	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	275.2007
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03928	2.6
55.01867	8.5
55.05516	15.9
56.19127	2.2
57.07083	18.0
57.16318	2.3
67.05514	30.4
69.07058	10.2
69.92113	12.1
70.06618	3.0
71.04995	4.2
71.08625	7.9
72.74259	2.6
79.03577	2.5
79.05492	31.7
81.03436	3.5
81.07066	30.1
83.04961	4.5
83.08615	8.3
84.79485	2.4
85.06543	3.6
85.10169	5.2
88.07614	7.7
90.67748	2.2
91.05492	32.0
93.07056	27.2
94.26363	2.6
95.04974	7.0
95.08624	21.8
97.06539	5.9
99.08199	3.7
105.07047	47.1
107.04954	10.7
107.08601	21.8
108.05831	2.5
108.38811	2.5
109.06503	7.5
109.10165	12.7
117.07001	12.4
119.08592	33.8
121.06508	3.9
121.10143	6.5
123.08056	5.8
123.11735	4.0
129.07001	4.0
131.08568	13.4
133.10146	28.7
135.08034	4.9
135.11717	4.8
137.09660	3.3
143.08575	2.6
145.10091	14.8
147.11729	20.6
149.09651	14.0
157.10141	3.1
159.11703	8.3
161.13287	4.4
163.11183	5.8
163.26010	2.3
165.12770	2.4
169.10098	3.8
173.13321	4.8
183.17368	4.1
184.75342	2.8
187.59036	2.4
197.13298	2.8
201.12796	3.0
218.27652	2.5
229.19635	5.6
239.17914	3.7
241.94212	3.2
257.18985	10.7
257.21286	6.3
257.26773	4.8
275.04886	5.2
275.17288	4.6
275.20108	100.0
275.27768	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	275.2007
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03930	3.4
55.01873	10.8
55.05514	19.3
57.03426	2.2
57.07069	1.4
58.95754	1.0
65.03937	2.4
67.05163	1.6
67.05507	22.2
69.07072	10.8
70.70594	2.8
71.04992	2.3
79.05061	1.7
79.05498	29.8
81.03434	1.5
81.07062	33.3
83.04964	4.1
83.08633	6.0
85.06526	1.8
90.80096	1.1
91.05483	46.6
93.07048	21.1
95.04957	4.2
95.08608	16.2
97.06537	15.5
97.10168	2.6
103.05454	1.4
104.82610	1.0
105.07037	77.9
107.04967	11.0
107.08599	15.7
109.06503	3.7
109.10149	8.3
109.16464	1.0
111.08057	1.3
113.56570	1.1
115.05407	1.3
117.07031	10.5
119.08588	36.9
119.62847	1.2
121.06492	2.6
121.10113	7.3
123.08045	2.3
123.11714	2.2
125.09648	2.6
129.07037	2.1
130.35252	0.9
131.08571	19.7
133.10135	52.7
135.08070	3.7
135.11703	4.6
135.81364	0.9
137.09590	2.0
143.08536	3.4
145.10136	15.1
147.11688	18.5
149.09608	14.5
149.13261	1.2
151.11220	2.2
155.08545	2.1
157.10097	2.2
159.11708	8.3
161.13290	5.6
163.11172	2.8
165.09178	2.6
169.10109	1.8
171.11647	2.4
173.11823	1.5
173.13274	4.1
175.11172	1.4
177.12781	1.2
179.14281	1.5
183.11641	1.4
187.14886	1.3
197.13362	2.1
201.12581	1.0
213.34926	1.2
215.18042	1.7
229.19597	3.3
238.62453	1.0
239.17900	2.4
247.20638	3.9
257.19022	10.4
275.20068	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	275.2006
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03936	2.3
55.01874	1.4
55.05505	9.1
57.07064	1.1
67.05506	7.6
69.03430	15.3
69.07065	7.7
69.92862	2.5
69.93251	1.9
71.05006	5.4
79.05103	1.2
79.05497	10.9
81.03402	3.0
81.07060	13.7
81.45869	0.8
83.04973	2.4
83.08605	5.7
85.06535	6.9
91.05482	12.7
93.07043	15.7
95.04967	19.6
95.08044	1.6
95.08607	22.2
97.06530	3.8
98.21456	0.9
99.04458	7.4
105.07032	27.5
107.04956	7.9
107.08582	10.1
109.06516	3.8
109.10162	10.9
111.04420	1.0
111.08094	5.1
113.09634	4.4
117.06995	5.6
119.04977	1.4
119.08576	19.5
121.06508	4.1
121.10149	15.8
122.63118	0.8
123.08056	3.6
123.11715	3.0
125.09598	1.1
128.06213	7.0
129.07039	2.4
131.08577	8.8
133.06473	1.3
133.10127	25.6
135.08052	10.1
135.11691	3.5
137.09622	4.5
137.27780	1.0
141.07010	1.5
142.07785	2.1
143.08554	23.7
144.09348	1.4
145.06482	1.1
145.10115	8.8
146.07274	2.0
147.08044	3.6
147.11684	8.9
149.09633	5.2
149.13283	1.6
155.08623	2.1
155.10678	4.2
157.10143	6.3
157.98808	0.9
159.08057	5.0
159.11678	9.9
161.09619	77.0
161.13258	2.5
162.10117	1.0
163.11172	4.5
168.09453	0.9
169.10118	1.7
171.11684	2.8
173.09592	1.2
173.13269	6.5
175.11174	6.8
175.14799	4.8
176.11955	2.2
177.12724	2.1
181.12332	0.8
183.11693	5.3
184.12444	1.0
187.11163	3.3
187.14796	2.0
189.16344	1.9
193.12254	1.2
197.13271	2.0
199.14774	7.0
201.12769	14.5
215.10623	1.1
215.14383	1.2
215.17949	1.6
216.15126	1.2
217.15863	29.2
219.13786	22.0
233.15434	1.4
239.17896	2.6
247.13373	1.3
257.19003	10.3
272.31796	1.1
275.20059	100.0
276.20358	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03930	3.2
55.05511	16.7
57.07065	4.1
65.03966	2.5
67.05499	20.0
69.03428	4.7
69.07069	15.8
71.04996	11.2
71.11967	4.8
79.05510	17.1
79.35339	1.9
79.45992	1.9
80.81340	2.1
81.07054	30.1
83.04966	5.1
83.08612	6.3
85.06545	10.0
91.05484	30.9
93.07048	27.5
95.04971	12.2
95.08604	38.4
97.06550	13.3
99.04457	35.2
99.08073	5.4
105.06379	3.3
105.07036	46.5
107.04957	5.1
107.08592	25.0
109.06510	7.0
109.10172	16.5
111.08071	5.6
113.09637	3.6
115.05443	3.9
117.07005	6.7
119.07789	3.1
119.08590	44.2
121.06490	5.4
121.10153	32.4
123.08047	6.0
123.11684	6.7
125.09615	4.9
127.07535	6.8
128.06178	2.0
129.07031	6.0
131.08543	19.0
133.02885	2.6
133.06435	2.9
133.10144	37.0
135.08046	8.5
135.11676	12.4
137.09663	9.8
138.09146	2.1
139.11217	2.4
142.07733	2.2
143.08548	7.9
144.09402	2.2
144.10527	2.1
145.06468	3.0
145.10127	21.2
147.08046	2.8
147.11691	40.3
149.09615	9.2
149.13248	8.1
151.07527	2.5
151.11200	4.9
155.08609	2.1
155.10680	21.3
156.09306	2.2
157.10143	11.5
159.08138	2.2
159.11684	17.5
161.05975	15.8
161.09645	11.8
161.13278	5.1
163.11208	15.4
165.12724	3.0
169.10112	5.9
171.11688	8.7
173.05904	2.7
173.09616	3.2
173.13257	10.2
175.11163	2.8
175.14838	5.8
177.12766	3.6
183.11707	6.5
184.12506	2.2
185.13145	2.7
187.11208	3.9
187.14833	5.6
197.13287	5.4
199.14824	10.4
201.12711	6.7
201.16301	2.4
215.10841	2.8
215.14355	5.1
217.15944	9.7
219.13826	4.9
229.12297	2.6
229.19493	2.4
231.17599	2.0
239.17935	9.9
257.11826	2.7
257.18985	16.7
275.04922	2.9
275.13638	3.6
275.16556	8.7
275.20056	100.0
275.23193	4.8
275.27426	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	275.2008
Annotation	Dicranin
Peak:m/z	Relative Intensity
50.90504	2.2
50.93024	2.0
53.03935	7.8
55.05515	26.1
56.30943	2.8
57.07065	4.6
65.24873	2.2
66.10564	2.5
67.05512	22.8
69.03426	10.7
69.07072	18.6
69.87207	6.1
69.87623	7.0
71.04987	4.6
77.03909	3.6
79.05497	52.9
81.03424	3.4
81.07063	26.4
82.83188	2.2
83.04986	29.4
83.08627	7.3
85.06549	35.5
91.05481	28.6
93.07051	62.2
93.32143	2.3
95.04964	14.1
95.08604	28.8
97.06538	3.9
98.20791	3.1
99.08102	11.8
103.05449	4.3
105.04539	3.1
105.07037	50.0
107.04970	23.4
107.08596	33.2
109.06521	11.0
109.10164	28.5
111.08100	4.8
115.05455	3.2
117.07013	11.0
119.04924	5.0
119.08585	40.0
121.06515	23.0
121.09315	4.5
121.10151	65.0
122.07255	12.6
123.08040	8.9
123.11671	6.2
125.06004	3.9
125.09633	8.6
128.06253	3.1
129.07024	8.8
131.08568	31.8
133.06519	4.9
133.10132	34.4
135.08072	11.0
135.11700	13.1
137.09628	94.7
139.11160	3.7
142.07800	3.7
143.08543	13.4
144.09346	5.2
145.06493	8.7
145.10115	34.5
147.08089	7.4
147.11656	13.8
149.09616	13.4
149.13269	4.1
151.11174	3.9
155.08521	2.9
156.09344	3.2
157.10130	9.2
159.08040	12.9
159.11681	17.1
161.06007	12.8
161.09615	10.4
161.13258	6.5
163.11201	24.8
163.14841	7.7
169.10101	3.0
171.11749	5.7
173.09615	7.0
173.13264	43.6
175.11220	4.3
175.14827	6.0
177.12773	5.5
183.11728	7.4
187.11247	4.8
187.14856	4.8
189.12761	3.3
191.10565	2.7
191.14355	16.1
193.92746	2.4
197.13324	7.3
199.14832	8.5
201.12756	15.7
207.32771	2.3
215.14291	14.1
215.17918	4.5
217.15979	12.8
219.13818	9.7
229.19496	4.2
239.18042	5.6
257.19016	42.3
275.13641	2.8
275.16940	4.8
275.20087	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0914
Annotation	EPIAFZELECHIN (2R,3R)(-)
Peak:m/z	Relative Intensity
50.78098	0.3
53.03942	0.5
55.01869	2.3
65.03931	0.9
67.05501	1.2
68.99787	1.7
69.03417	0.8
69.12424	0.4
70.06583	1.9
71.56261	0.6
79.05499	1.0
81.07056	0.6
83.04989	0.9
85.02908	0.4
85.06537	0.8
91.05464	1.0
93.03416	0.6
93.07020	1.0
95.04980	2.4
95.08596	0.6
97.02902	0.8
103.05477	3.2
105.07043	1.0
107.04957	53.4
107.08605	0.5
109.10124	0.7
111.00845	0.5
111.04441	3.1
115.05405	0.5
116.07105	1.9
117.07035	1.3
119.08584	0.7
119.97765	0.4
121.02885	1.0
121.06514	4.3
121.10145	0.9
123.04395	1.0
123.08092	0.5
127.03896	0.7
131.04893	2.0
131.08577	0.8
133.06464	0.5
135.04411	1.0
135.08031	0.6
139.03902	100.0
140.04224	0.7
145.06494	7.6
145.10110	0.6
147.04405	1.0
147.08133	0.4
149.05983	24.9
151.03940	0.6
155.06049	0.5
159.08083	0.7
159.11722	0.6
161.05978	2.4
163.03876	1.0
163.07504	1.8
169.04985	2.4
173.05968	2.7
173.13367	0.4
173.54465	0.4
174.38966	0.3
191.07031	6.8
200.09386	0.8
215.07098	0.5
215.08946	0.6
215.14334	0.4
229.05003	0.4
229.13246	0.4
231.06625	0.4
233.08145	2.0
257.04297	0.4
257.08133	1.6
257.12790	1.2
275.05762	0.7
275.08942	5.7
275.13846	1.5
275.20026	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78098	0.3
53.03942	0.5
55.01869	2.3
65.03931	0.9
67.05501	1.2
68.99787	1.7
69.03417	0.8
69.12424	0.4
70.06583	1.9
71.56261	0.6
79.05499	1.0
81.07056	0.6
83.04989	0.9
85.02908	0.4
85.06537	0.8
91.05464	1.0
93.03416	0.6
93.07020	1.0
95.04980	2.4
95.08596	0.6
97.02902	0.8
103.05477	3.2
105.07043	1.0
107.04957	53.4
107.08605	0.5
109.10124	0.7
111.00845	0.5
111.04441	3.1
115.05405	0.5
116.07105	1.9
117.07035	1.3
119.08584	0.7
119.97765	0.4
121.02885	1.0
121.06514	4.3
121.10145	0.9
123.04395	1.0
123.08092	0.5
127.03896	0.7
131.04893	2.0
131.08577	0.8
133.06464	0.5
135.04411	1.0
135.08031	0.6
139.03902	100.0
140.04224	0.7
145.06494	7.6
145.10110	0.6
147.04405	1.0
147.08133	0.4
149.05983	24.9
151.03940	0.6
155.06049	0.5
159.08083	0.7
159.11722	0.6
161.05978	2.4
163.03876	1.0
163.07504	1.8
169.04985	2.4
173.05968	2.7
173.13367	0.4
173.54465	0.4
174.38966	0.3
191.07031	6.8
200.09386	0.8
215.07098	0.5
215.08946	0.6
215.14334	0.4
229.05003	0.4
229.13246	0.4
231.06625	0.4
233.08145	2.0
257.04297	0.4
257.08133	1.6
257.12790	1.2
275.05762	0.7
275.08942	5.7
275.13846	1.5
275.20026	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	274.9754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69963	0.8
56.96572	14.6
70.01772	2.8
70.98132	2.0
71.95255	3.6
83.04986	1.2
85.02928	1.6
88.99186	1.0
95.04990	1.2
97.01397	1.7
97.02907	0.8
98.21558	1.5
98.97593	100.0
101.00887	6.7
110.67137	0.8
110.97610	1.7
113.02375	0.9
115.02437	7.0
116.98632	49.9
119.01124	1.5
119.01923	15.2
119.04901	1.0
121.02876	2.1
127.02404	0.8
128.98611	1.9
130.93303	2.0
131.00320	1.0
131.01917	1.7
133.03490	4.0
134.99667	14.6
135.04417	1.2
137.02956	2.4
139.35640	0.8
140.00227	1.3
143.01903	3.3
145.03488	1.7
146.99683	1.1
147.04430	1.6
148.94368	1.1
153.00652	1.0
155.01929	1.4
157.03520	2.3
158.01207	0.9
159.01463	1.0
161.02974	2.2
163.03934	3.1
171.01433	2.2
172.94380	6.8
172.97589	3.2
177.00893	1.8
185.02936	2.0
185.06641	1.6
188.97055	1.2
189.00766	0.9
189.02461	2.2
190.95430	5.8
190.98640	4.7
195.01295	1.4
197.02945	0.9
205.00146	1.5
208.96414	2.7
211.04657	1.1
212.40471	0.9
213.02419	2.2
214.04326	0.9
214.95348	1.9
215.00436	1.2
219.02008	1.5
221.02995	2.3
232.96503	6.8
232.99704	1.1
233.01479	18.3
236.99199	0.9
250.97385	1.5
251.02609	26.4
256.96390	12.1
257.05161	4.8
261.03021	4.2
274.97531	71.5
275.01987	7.5
275.06039	5.7
288.99036	1.0
292.98575	39.1
293.03564	38.1
297.99179	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73389	4.2
55.05512	60.6
57.07076	39.3
58.07376	3.6
62.24223	4.3
69.06724	5.7
69.07076	100.0
71.08641	23.8
71.57000	4.9
72.93790	9.3
81.07038	12.1
83.08622	74.7
85.10184	13.4
85.46636	4.3
91.05486	5.4
95.08653	5.3
97.10178	61.8
105.07040	6.6
107.08614	5.5
111.11719	25.1
119.08644	4.3
123.46106	3.7
125.13252	4.9
129.07037	4.5
143.08527	4.4
145.10121	5.7
157.10150	10.7
163.84729	3.9
166.97934	6.9
185.09679	4.8
212.15622	8.8
217.57452	3.6
225.12781	18.3
227.17961	8.3
240.15047	19.1
255.17442	55.7
273.18546	73.5
273.21399	5.5
273.23019	9.3
274.27493	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	273.2578
Annotation	Trixagoene
Peak:m/z	Relative Intensity
54.94275	2.0
55.05515	14.2
57.07092	9.4
67.05515	21.3
69.07076	37.4
71.08617	1.8
79.05503	11.7
81.07063	67.3
83.08637	14.3
84.42349	2.0
91.05492	10.3
93.07056	32.3
95.08618	62.8
97.10164	8.4
101.49600	1.9
105.07045	20.2
107.08603	47.1
109.09463	3.5
109.10172	54.4
111.11758	2.1
119.08582	18.6
121.10162	43.4
123.11722	36.8
133.10143	16.2
135.11703	27.6
137.13258	10.4
145.10152	4.1
147.11703	20.1
149.13261	43.9
151.14824	6.1
161.13284	27.1
163.14845	22.8
175.14825	13.6
177.16389	13.8
189.16399	17.6
191.17953	10.0
203.17973	16.9
217.19542	28.9
229.12088	2.9
231.21143	4.1
239.89795	2.2
273.18869	4.4
273.23151	5.1
273.25793	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2062
Annotation	Actinopolysporin A
Peak:m/z	Relative Intensity
50.24212	3.3
55.05518	87.8
55.98697	3.0
57.03446	43.5
57.07078	22.2
59.05014	4.6
64.25161	3.3
67.05508	23.4
69.06718	5.9
69.07074	87.7
69.66624	22.3
71.05007	3.9
71.08640	6.7
73.14559	3.2
79.05492	17.4
81.07058	51.3
83.04986	5.6
83.08629	71.4
85.06557	6.0
85.10194	4.0
93.07071	25.7
95.08626	32.1
97.06536	21.9
97.10173	48.1
97.81429	3.9
105.07021	3.7
107.08599	30.1
109.10161	10.9
111.08080	12.3
111.11716	5.4
115.07564	6.1
121.10170	28.3
123.11714	6.2
125.09631	14.3
135.11708	8.2
139.11223	6.6
153.05496	3.3
159.44893	3.0
162.84727	3.4
163.14865	46.5
163.27956	3.1
181.15900	24.3
249.31342	3.2
255.19553	7.1
273.20673	100.0
273.28906	12.2
274.27451	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	273.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38860	1.4
53.03940	5.2
53.29159	1.6
53.75088	1.5
55.01871	4.3
55.05516	94.7
55.36835	1.7
57.03443	37.9
57.07080	18.2
57.09930	1.3
59.04985	2.7
65.03946	2.0
67.05511	24.3
69.07072	79.7
69.96785	8.0
71.04984	6.1
71.08633	8.4
73.06557	2.7
75.04484	1.9
78.46732	1.5
79.05499	22.1
81.07062	48.0
83.04995	8.6
83.08628	82.1
85.02906	2.0
85.06543	5.2
85.10181	3.6
86.36929	1.5
91.05481	5.0
93.07056	29.0
95.04965	5.3
95.08047	2.7
95.08615	36.1
97.06525	19.7
97.10181	51.2
99.08083	5.3
101.06011	3.1
105.07037	7.1
107.04987	3.0
107.08602	27.6
109.06553	1.7
109.10179	9.3
111.08095	20.4
111.11717	4.7
115.07561	3.5
117.07018	1.6
119.04960	7.1
119.08569	4.7
120.08072	4.2
121.10162	30.2
121.20909	1.3
123.04433	4.7
123.11716	4.3
125.09639	16.2
129.07074	2.4
129.09123	2.5
129.35246	1.6
131.05009	2.2
131.08566	3.3
132.31088	1.5
133.10117	2.8
135.08052	2.7
135.11722	7.3
135.85306	1.6
137.13210	1.9
139.11177	5.7
139.14786	2.0
141.06972	1.5
143.08540	1.9
145.10132	3.8
147.04414	2.3
147.11797	2.2
148.07574	6.1
149.13197	1.7
150.09229	2.7
151.03905	1.8
157.10205	2.9
159.11720	3.7
163.14833	52.2
171.11639	3.1
173.09544	1.7
173.13188	1.9
181.15884	23.7
185.09549	1.7
189.12704	2.0
199.16927	3.5
215.14362	2.7
217.12183	1.9
255.17307	2.4
255.19615	6.2
273.15564	3.0
273.20654	100.0
273.26132	5.0
274.21075	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2062
Annotation	Actinopolysporin A
Peak:m/z	Relative Intensity
53.03944	3.4
55.01859	3.5
55.05517	83.2
57.03443	37.3
57.07080	15.3
59.04989	1.6
66.19408	1.1
67.05511	19.3
69.03414	1.4
69.07076	71.2
69.29977	3.6
69.30399	6.2
71.04999	4.9
71.08638	5.7
73.06556	3.5
76.15289	1.0
79.05500	17.7
81.07066	40.4
83.04972	3.2
83.08630	66.9
85.06551	6.1
85.10188	4.5
91.05480	3.7
93.07051	22.4
95.04972	1.2
95.08050	2.1
95.08617	31.1
97.06539	18.9
97.10181	41.8
99.08092	4.0
101.06035	2.5
105.07017	1.6
107.08610	23.2
109.06527	2.1
109.10139	7.2
111.08096	15.9
111.11696	3.0
115.07600	3.2
119.08641	1.2
120.70946	0.9
121.10152	25.7
123.04405	1.4
123.11719	4.6
125.09648	11.9
129.07033	1.3
129.09071	2.3
131.08607	1.3
135.11713	5.3
139.11218	5.7
143.10730	1.5
145.10110	2.3
163.14833	42.2
181.15891	19.8
199.17020	2.7
255.19676	6.9
273.20645	100.0
274.21021	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	273.185
Annotation	CHEBI:69178
Peak:m/z	Relative Intensity
53.03940	2.8
54.14326	1.9
55.05520	11.4
57.03426	4.8
57.07069	5.9
67.05503	13.3
69.03438	19.2
69.07072	13.1
69.24049	20.1
71.04981	9.6
79.05507	12.5
81.07055	17.3
83.04983	23.0
83.08624	3.6
85.02897	3.2
85.06532	5.7
85.38217	2.6
91.05482	22.0
93.07053	14.5
95.04958	9.5
95.08598	20.3
97.06544	5.4
97.10178	3.2
98.20695	3.7
98.97606	4.3
99.08104	7.3
105.07047	26.3
107.04959	8.0
107.08583	18.4
109.06528	8.0
109.10168	8.8
111.08076	3.4
116.06322	2.5
117.07009	7.3
119.04946	9.6
119.08570	27.1
121.06522	15.5
121.10122	10.3
123.04482	10.8
123.08052	5.7
123.11694	3.8
125.09636	3.2
127.68586	2.0
128.06236	5.1
129.06998	8.5
130.07806	4.1
131.05013	2.6
131.08578	28.2
133.06480	4.3
133.10143	13.0
135.08044	11.4
135.11708	7.3
137.05995	2.5
137.09613	7.9
141.07022	3.8
142.07770	5.9
143.08603	16.6
144.78920	2.6
145.06494	3.5
145.10139	32.1
147.08061	9.3
147.11703	9.3
151.07564	4.0
153.01843	4.5
153.07025	2.3
153.12782	3.7
155.08577	8.8
155.10654	2.0
156.09370	10.9
157.06441	2.5
157.10121	24.3
158.07304	11.7
158.10936	6.1
159.08066	52.3
159.11678	13.4
161.09636	15.5
161.13312	2.9
163.11191	2.7
165.07063	3.0
166.07841	3.2
167.08543	3.4
169.10126	5.0
171.08061	5.4
171.11707	26.3
172.08891	5.1
172.12523	5.1
173.09637	70.9
173.13258	23.4
175.11163	14.3
175.14949	2.3
177.09128	5.0
177.12675	2.7
181.10172	3.9
182.10892	5.8
184.08763	3.1
185.09662	10.7
185.13277	7.6
186.10439	3.9
187.11185	9.7
187.14816	12.4
189.12756	16.3
191.10677	2.3
197.13284	23.0
199.11212	33.2
200.11913	12.7
201.12805	2.5
203.10815	2.7
203.14317	9.4
209.13254	2.5
211.14725	2.6
213.09135	3.8
213.12740	16.9
213.16315	5.1
215.14342	97.7
217.12282	11.6
217.14275	5.1
227.17961	2.7
229.08690	5.6
231.13887	3.3
231.17473	5.8
237.16475	4.4
240.61835	2.1
255.17479	25.7
273.04208	2.6
273.07526	7.0
273.12161	4.9
273.15396	4.7
273.18527	100.0
273.21637	4.0
273.25659	3.3
288.31213	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	273.1851
Annotation	CHEBI:69178
Peak:m/z	Relative Intensity
53.03945	2.6
53.06704	1.7
55.05525	9.4
57.03430	1.7
57.07079	4.3
67.05512	9.3
69.03436	16.7
69.07053	6.6
69.56117	12.5
71.05003	8.6
75.23710	1.7
79.05501	9.3
80.52777	1.6
81.07056	15.3
83.04981	18.7
83.08611	5.2
85.02920	2.5
85.06534	6.0
91.05482	16.9
93.07043	11.6
95.04964	7.2
95.08603	13.4
97.06483	3.1
99.04471	3.9
99.08086	6.2
103.05457	2.0
105.07039	22.6
105.45330	1.8
107.04964	5.4
107.08591	13.4
109.06547	8.3
109.10150	5.6
113.09667	3.7
115.05452	5.0
116.06237	2.5
117.07018	7.9
119.04952	15.2
119.08587	24.3
121.06511	11.1
121.10141	13.2
123.04430	9.2
123.08064	4.5
123.11673	2.0
128.06183	3.0
129.07016	8.3
130.07805	2.7
131.08575	29.1
133.06557	1.7
133.10164	11.9
135.08067	10.6
135.11671	5.0
137.09608	5.8
141.07018	3.7
142.07744	5.8
143.08592	12.6
144.09392	3.2
145.06480	3.8
145.10139	32.6
147.04408	2.7
147.08080	8.0
147.11685	8.1
147.80029	1.8
149.09631	4.5
151.03882	3.5
153.01834	2.8
153.06943	2.8
155.08554	11.1
156.09375	9.7
157.10143	24.3
158.07288	13.7
158.10844	4.4
159.06822	3.1
159.08066	46.0
159.11699	13.2
160.08806	3.8
161.09625	15.2
163.03963	2.0
163.14853	2.2
165.07129	1.5
167.08572	4.3
169.06378	1.8
169.10127	5.2
170.10890	3.6
171.08046	6.9
171.11708	22.0
172.08868	5.4
172.12419	4.4
173.09636	65.2
173.13260	28.1
175.11220	13.1
179.10664	1.8
181.10146	3.4
182.10919	7.1
183.11636	1.6
185.09621	10.3
185.13261	8.8
186.10408	4.6
187.07631	2.1
187.11227	8.2
187.14893	12.7
189.12723	13.2
195.11682	3.3
197.13278	19.6
199.11174	26.5
200.12032	10.2
201.12715	2.3
203.14287	9.3
213.12709	13.7
213.16364	5.9
215.14337	100.0
217.12250	14.1
217.51993	1.6
227.17990	2.8
231.13815	3.2
231.17427	4.7
235.41600	1.7
237.16449	2.9
240.15111	2.0
255.06177	1.9
255.17441	24.8
273.07541	3.5
273.15479	3.8
273.18503	96.6
273.21588	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	273.16
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.9
67.05511	1.1
68.99773	0.3
69.07074	0.6
71.05000	0.5
71.14118	0.6
79.05509	1.1
81.03429	0.4
81.07063	1.9
83.04987	0.7
85.02914	0.6
85.06547	0.7
85.56638	0.3
91.05495	1.0
93.07053	1.1
94.06590	1.1
95.04996	1.4
95.08611	1.3
97.06509	0.5
98.06059	0.9
102.14573	0.3
103.79787	0.3
105.07037	1.7
106.06544	0.2
107.04974	2.3
107.07353	7.1
107.08595	1.1
109.06535	0.5
109.10174	0.8
110.06039	1.6
111.04488	0.3
111.08083	0.4
117.07016	0.3
119.04967	4.3
119.08604	1.2
120.08121	0.3
121.02843	0.3
121.06496	0.4
121.10156	0.7
122.09680	100.0
123.04436	2.4
123.08096	0.4
123.10036	0.4
123.11750	0.4
124.07604	2.2
129.07054	0.3
131.08589	1.3
132.36253	0.3
133.06555	0.4
133.10117	0.8
134.09650	0.4
135.04404	0.3
135.08070	0.5
135.11705	0.4
136.07635	0.7
137.09720	0.3
142.05061	0.5
142.07822	0.4
143.08577	0.6
145.10089	1.3
147.04408	1.1
147.11705	0.6
148.11205	0.5
149.02298	0.6
149.09712	0.3
151.03935	0.8
151.07550	0.3
152.07094	12.2
153.01826	0.9
155.08574	0.4
156.09280	0.4
157.10158	0.9
159.08209	0.4
159.11743	0.4
161.09663	0.4
161.13319	0.4
163.03905	0.3
171.11707	1.1
173.09651	0.4
173.13268	0.8
176.10739	1.8
185.13354	0.4
187.14854	0.4
189.12692	0.3
197.13258	0.4
211.14757	0.4
213.16296	0.5
215.07135	0.3
215.14452	1.4
227.15517	0.4
227.17841	0.3
228.13939	0.8
230.16928	0.3
231.14970	1.0
245.16512	2.6
255.15060	0.4
255.17340	1.3
258.10117	0.6
273.04019	0.5
273.07669	1.1
273.15994	23.7
273.18613	3.7
274.16602	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0871
Annotation	Dichotomine B
Peak:m/z	Relative Intensity
53.03938	0.5
55.05503	0.5
55.76804	0.4
62.16808	0.4
65.03903	0.5
67.05493	0.9
69.07032	0.7
70.79108	1.1
71.04977	0.9
79.05470	0.5
81.07039	0.6
85.06516	0.4
91.05462	1.3
93.07006	1.0
95.04981	2.4
95.08588	0.6
100.07608	1.1
103.05417	0.5
105.06997	1.3
107.04922	1.9
107.08542	0.4
111.04443	0.7
114.03757	1.0
117.07003	0.9
119.04955	5.6
119.08591	0.9
121.02856	0.6
121.06467	0.6
121.10092	1.2
123.04445	4.6
127.02121	0.4
131.04889	0.7
131.08542	0.9
133.06429	0.6
133.10107	1.1
135.04491	0.8
139.03877	0.6
143.08592	0.7
145.06468	1.0
145.10094	1.0
147.04434	1.1
149.02315	0.6
151.03856	0.8
153.06952	1.0
154.06470	0.6
156.08028	0.4
157.10104	1.0
158.05960	0.7
159.08034	0.8
159.11751	0.5
163.03920	1.2
170.06306	1.2
171.05571	0.7
171.09239	0.9
171.11685	0.7
172.06142	0.6
172.07576	7.1
173.09520	0.8
181.06389	0.9
181.07745	0.5
182.06065	2.5
182.08398	0.5
183.06798	0.6
183.09218	0.5
184.06360	0.7
185.07117	43.7
186.05489	0.9
187.06296	4.3
187.14865	0.8
197.04591	0.4
198.07875	1.2
199.08684	14.1
200.07091	12.7
200.08601	0.3
203.07094	0.4
208.06372	0.7
209.07135	13.6
213.09135	0.9
214.10751	0.8
215.07030	0.8
215.14326	0.8
227.08182	30.1
243.06514	0.5
245.09238	73.9
246.09586	1.1
255.07774	4.0
255.10274	0.6
255.17409	1.1
273.08716	100.0
273.18436	3.1
274.08896	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0757
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
53.03953	0.5
55.01876	0.4
55.05508	0.4
61.23333	0.3
65.03929	0.5
67.01867	7.0
67.05504	0.6
68.99791	4.1
69.03440	1.7
69.03762	0.3
69.07076	0.3
70.53909	1.1
71.04977	0.3
79.05475	0.4
81.03422	0.8
81.07059	0.8
83.01331	0.9
83.04984	0.4
85.02911	0.7
91.05477	5.6
95.04973	2.9
95.08609	0.8
97.02903	1.3
99.04480	0.4
105.07024	0.8
107.04946	3.0
107.08580	1.0
109.10178	0.7
111.00770	0.6
111.04416	0.4
119.04947	15.1
119.08572	1.0
121.02935	0.6
121.06520	1.8
123.04420	4.0
125.02395	1.1
127.03888	0.5
129.01825	0.8
133.06448	0.4
133.10106	0.4
135.08032	0.6
143.08566	0.4
145.10106	0.7
147.04410	33.5
147.11757	0.5
151.03903	1.1
153.01830	100.0
154.02170	0.8
157.10149	0.5
159.11784	0.4
161.06064	0.5
161.09633	0.6
163.11160	0.3
171.02893	22.1
171.11702	0.6
179.03427	1.7
189.05484	0.7
231.06500	0.4
255.06599	0.8
255.17464	1.2
273.07571	66.0
273.18481	2.4
274.07935	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0757
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
51.90114	0.5
53.03941	0.5
55.01859	0.5
55.05507	1.1
67.01872	14.3
67.05505	1.9
68.87317	0.4
68.99798	6.7
69.03433	1.6
69.07071	0.8
71.05005	0.8
71.56801	0.6
79.01857	0.8
79.05502	1.9
81.03416	1.7
81.07058	2.8
81.42928	0.5
83.01349	1.2
83.04967	1.3
85.02895	0.9
85.06533	0.7
91.05491	5.0
93.07057	1.6
95.04978	3.3
95.08611	1.8
97.02933	2.4
99.04498	0.7
99.08106	0.6
100.65015	0.4
105.07037	2.8
107.04970	3.9
107.08598	1.9
109.06532	1.1
109.10155	1.8
111.00814	1.2
111.04475	0.9
111.08113	0.6
115.05459	0.5
117.06979	0.6
119.04950	12.5
119.08587	1.7
121.02890	1.1
121.06518	3.6
121.10153	1.5
122.09665	0.6
123.04447	4.4
125.02351	1.4
127.03931	1.4
129.01840	1.3
129.07060	1.0
131.08553	2.6
133.06413	0.7
133.10127	1.1
135.04498	0.5
135.08051	1.7
135.76125	0.4
137.09602	1.0
139.03862	0.7
141.91933	0.5
142.07828	0.7
143.08601	1.1
145.10136	2.3
147.04424	19.0
147.07957	0.5
147.11707	1.0
151.03925	1.0
151.07584	0.9
153.01842	100.0
154.02191	0.6
157.06526	0.6
157.10143	2.1
159.08069	1.4
159.11717	0.9
161.09642	1.1
165.06929	0.6
169.10049	0.7
171.02904	54.9
171.11720	1.8
173.09689	1.1
173.13258	1.2
175.07549	0.5
175.11214	1.2
179.03419	2.6
181.10229	0.5
185.13287	0.7
187.14931	0.6
189.05435	0.7
189.12801	0.9
197.13271	0.9
199.07765	0.7
199.11208	0.8
203.10652	0.7
213.12724	0.5
213.16438	1.3
215.07120	0.6
215.14342	2.2
217.12280	0.7
227.14201	0.6
227.17880	0.5
231.06552	1.1
255.06580	0.7
255.17514	2.2
273.07590	44.0
273.18555	6.7
273.21841	0.6
273.22437	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0759
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
50.90477	0.2
53.03943	0.3
55.01871	0.5
55.05501	0.5
65.03938	0.4
67.01872	5.3
67.05481	0.4
68.99792	2.7
69.03440	1.4
69.42501	1.3
79.05496	0.4
81.03432	0.9
81.07067	0.5
83.01324	0.6
85.02916	0.3
91.05492	7.6
93.07054	0.6
94.13668	0.3
95.04971	2.5
95.08606	0.6
97.02921	1.6
98.20715	0.6
99.04424	0.3
105.07030	0.7
107.04948	3.0
107.08590	0.5
111.00806	0.6
117.07027	0.3
119.04955	16.9
119.08620	0.3
121.02862	0.7
121.06519	1.1
121.10154	0.5
122.09707	0.5
123.04440	4.1
125.02351	0.6
127.03917	0.4
129.01849	0.5
131.08606	0.5
133.10196	0.3
135.00801	0.3
135.08080	0.3
141.07056	0.4
144.08119	0.5
145.06535	0.3
145.10191	0.4
147.04422	39.8
148.04764	0.3
149.02386	0.4
151.03909	1.1
153.01840	100.0
154.02171	0.8
157.06465	0.4
157.10188	0.3
159.08139	0.4
169.06509	0.6
171.02908	13.0
171.11688	0.5
173.86226	0.3
175.85152	0.3
179.03394	1.5
181.06566	0.4
185.05986	0.4
187.07562	0.8
189.05522	1.0
207.06503	0.3
215.14233	0.4
231.06642	0.6
255.06586	0.9
255.11200	0.4
255.17482	0.4
273.07596	64.5
273.18414	1.3
274.07968	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0758
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
51.02396	0.5
51.59296	0.4
53.03957	0.4
55.01891	0.5
55.05520	0.9
57.07086	0.5
65.03957	0.6
67.01867	2.4
67.05506	1.5
68.99792	2.6
69.03429	2.2
69.07088	0.6
71.05000	1.2
79.05495	0.8
81.03433	1.3
81.07059	1.6
83.01373	0.5
83.04997	2.3
85.02917	1.5
85.06565	0.8
91.05491	7.0
91.06015	0.7
93.07055	1.6
95.04979	3.8
95.08621	1.4
97.02896	1.1
98.21500	1.1
99.04469	1.1
103.05539	0.5
105.07047	1.9
107.04948	3.7
107.08597	1.2
109.02920	0.7
109.06506	0.6
109.10182	0.9
111.00860	0.7
111.04470	1.1
115.05477	1.2
119.04952	18.4
119.08562	1.6
121.02868	0.8
121.06515	1.5
121.10175	2.1
123.04430	4.8
123.08080	0.8
127.03951	0.8
129.07039	1.0
130.06535	1.3
131.08586	1.4
131.38327	0.4
132.08087	1.0
133.06429	0.4
133.10127	1.6
135.08099	0.6
137.02365	1.5
137.09581	0.5
142.06517	0.8
142.07663	0.5
143.08609	0.9
144.05759	0.5
144.08087	0.5
145.10129	2.6
147.04417	41.2
147.11700	0.6
149.09648	0.7
151.03964	1.0
153.01837	100.0
154.02126	0.6
157.06425	0.5
157.10135	1.9
159.08064	0.6
159.09181	3.9
159.11763	0.8
161.06143	0.5
161.09576	0.7
163.03960	0.6
169.07660	1.3
169.10046	0.5
170.05998	2.2
171.02931	5.4
171.04315	0.8
171.11708	0.8
173.09576	1.3
173.13264	1.2
175.11269	0.8
179.03400	1.1
179.10641	1.1
181.06448	1.0
184.07634	0.4
185.07138	2.7
185.09682	0.5
185.13179	0.5
187.06133	0.6
187.08670	0.8
187.11263	0.7
187.14796	1.2
189.05481	1.5
197.13240	1.1
200.07103	0.6
201.10277	0.6
211.14949	0.6
213.16487	1.0
215.07037	0.6
215.14334	3.2
217.05038	0.9
217.12312	0.4
227.03429	1.2
227.08232	2.4
231.17380	0.7
245.04405	1.4
245.09311	3.3
255.02872	0.9
255.06683	1.0
255.17497	1.9
273.04013	13.2
273.07547	83.2
273.18491	8.0
274.04617	1.2
274.07861	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2422
Annotation	Axerophthene
Peak:m/z	Relative Intensity
55.05285	0.9
55.05513	8.1
56.51865	0.7
57.07082	4.3
67.05508	9.6
69.07077	16.4
69.08509	0.7
70.89242	1.4
79.05115	0.8
79.05502	7.7
81.07063	41.4
83.08637	7.3
86.06033	1.2
91.05492	6.1
93.07048	15.1
95.08614	32.2
97.10177	2.1
98.87385	0.7
100.07611	1.8
104.10792	0.8
105.07034	16.9
105.07681	1.4
107.08600	23.7
109.10165	18.5
111.11710	1.7
117.07020	3.4
119.07793	1.3
119.08595	21.0
121.10158	19.6
123.11714	7.5
129.07057	1.0
130.07790	0.9
131.08572	8.9
133.10133	16.1
135.11693	12.3
137.13242	3.4
143.08571	1.3
144.09352	1.4
145.10124	12.6
147.11707	16.9
149.13280	9.5
151.14850	0.9
157.10127	1.7
158.10924	0.9
159.08044	2.2
159.11722	16.3
160.12434	1.9
161.13278	16.3
163.14827	9.0
171.11687	1.7
172.12506	1.0
173.13293	10.9
175.14845	10.9
177.16425	6.3
185.13292	0.9
187.14821	11.0
189.16383	8.1
190.10558	0.8
191.17908	1.5
201.16380	14.8
203.17970	2.1
213.16380	2.9
215.17963	12.1
228.18806	2.5
229.19490	5.1
254.24806	4.9
271.06052	3.0
271.24225	100.0
272.25061	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2423
Annotation	Axerophthene
Peak:m/z	Relative Intensity
55.05515	7.3
57.07069	3.4
67.05508	12.5
69.07071	20.7
70.86137	2.9
70.86469	2.0
79.05486	6.4
81.07063	31.1
81.74366	1.4
83.08642	9.0
91.05501	6.2
93.07058	18.2
95.08611	34.2
97.10174	2.9
105.06377	1.8
105.07037	20.4
105.50874	1.4
107.08610	22.2
109.10158	24.3
117.07035	3.3
119.08592	22.1
121.10150	22.5
123.11736	10.3
131.08583	7.3
133.10135	15.2
135.11723	11.3
137.13254	1.7
141.07028	1.9
145.10133	11.3
147.11693	16.4
149.13272	11.4
151.14882	1.3
157.10170	2.5
159.08105	2.7
159.11722	14.3
160.12531	1.5
161.13255	18.2
163.14842	8.5
167.11725	1.3
172.12506	1.2
173.13295	11.3
174.14070	1.5
175.14836	11.3
177.16388	5.9
187.14824	12.0
189.16396	9.4
197.06180	1.3
201.16406	14.1
203.17992	3.4
209.13287	1.6
213.16431	1.6
215.17978	15.6
228.18736	3.5
229.19499	5.3
271.05984	7.0
271.16949	2.9
271.24225	100.0
284.85620	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44869	1.5
55.05513	12.7
57.07066	4.3
60.24774	1.5
61.20397	1.6
67.05505	18.6
68.99802	2.0
69.07072	21.7
70.14741	3.8
70.15134	4.8
79.05501	9.0
80.20425	1.8
81.07059	33.8
82.15607	1.6
83.08610	7.1
85.10172	2.0
91.05497	9.8
93.07051	18.4
95.04961	1.7
95.08611	32.2
97.10186	2.7
100.61475	1.6
105.07033	20.2
107.08607	23.6
109.10169	26.3
117.07013	6.0
119.08582	24.5
121.10140	18.9
123.11693	12.8
131.08563	14.5
133.10147	21.0
135.11691	13.0
137.13277	4.1
145.09036	2.6
145.10130	21.2
147.11700	16.2
149.13292	11.8
157.10123	4.0
157.70369	1.7
158.10898	1.8
159.08046	4.9
159.11708	22.2
161.13286	20.3
163.14847	6.2
171.11641	2.1
173.13216	15.2
175.14853	12.4
177.16385	5.7
187.14822	14.9
189.16405	5.9
201.16441	15.2
203.17815	2.0
213.16466	3.1
215.18004	15.9
229.19568	4.6
271.06052	13.9
271.19028	19.0
271.24222	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2421
Annotation	Axerophthene
Peak:m/z	Relative Intensity
53.03943	2.1
54.59024	1.6
55.05523	13.3
56.91357	1.8
57.03407	3.5
57.07086	3.1
61.65139	2.1
67.05512	24.3
68.99776	2.6
69.07073	24.0
70.81739	4.3
71.04973	2.5
79.05507	12.7
81.07063	49.2
83.08624	10.2
91.05459	9.4
93.07053	24.8
95.08614	49.1
97.06541	2.7
97.10160	5.9
105.03434	2.1
105.07034	22.2
107.08601	29.3
107.10574	1.9
109.10160	33.9
111.11731	3.6
117.07020	6.9
119.08585	21.1
121.10138	22.2
123.11729	13.9
128.06209	2.3
130.47258	1.9
131.08568	11.6
133.10141	26.6
135.11716	16.1
137.13263	5.6
142.07770	2.3
143.08542	3.2
145.06503	3.6
145.10114	12.0
147.11674	18.0
149.13266	14.7
151.11151	3.4
151.14833	2.0
157.10132	3.0
159.11708	15.2
161.13268	16.3
163.14868	8.9
169.10135	2.2
171.11678	4.4
173.13321	9.5
175.14839	13.6
177.16406	4.9
187.14809	13.9
189.16368	8.6
195.01001	1.9
201.16379	14.2
215.18007	13.8
217.19560	2.2
229.04950	2.4
229.19530	4.5
240.11829	2.1
271.06137	10.2
271.16864	8.0
271.24222	100.0
286.75806	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1441
Annotation	Quinolactacin A
Peak:m/z	Relative Intensity
54.66802	0.9
55.05504	2.7
57.07064	1.6
62.01028	1.0
63.01002	0.9
64.35919	1.1
67.05492	4.2
69.07066	6.7
69.48149	7.9
73.82842	1.0
79.05489	4.5
81.05806	1.2
81.07053	8.0
83.08606	2.4
91.05485	2.8
91.15042	1.0
93.07030	4.1
94.06552	1.4
95.08611	8.5
96.08117	3.9
104.26894	1.1
105.07043	5.4
106.06551	2.2
107.08569	5.8
108.08128	10.3
109.10167	7.6
117.07036	2.0
118.24067	0.9
119.08605	5.7
121.10152	3.4
122.09673	1.6
123.11709	3.1
131.08598	2.5
133.10107	6.5
134.06026	1.6
135.11684	4.4
143.08528	1.7
145.10126	5.2
146.09636	1.1
147.11716	3.8
149.13249	2.7
156.08221	1.0
157.10088	1.5
158.09615	1.1
159.09288	1.3
159.11763	5.4
161.13242	3.5
163.14799	1.8
168.08064	5.6
169.08864	4.6
170.09608	1.7
171.10452	1.2
172.07584	2.3
173.13248	4.1
174.09074	1.1
175.14813	2.7
182.09679	1.2
183.10472	6.3
183.11781	1.4
184.09978	1.1
185.10777	2.1
186.11598	1.8
187.14886	3.0
189.16360	2.2
196.07576	4.2
197.08401	9.8
198.09175	1.8
198.12820	7.5
199.08687	8.0
199.12332	2.4
200.09383	1.4
200.13063	1.2
201.16455	3.0
210.09126	1.5
211.09923	14.6
212.09499	2.1
213.10225	15.1
214.11028	5.2
215.15436	4.3
215.17934	2.8
225.13785	1.7
226.12286	32.6
227.11816	22.4
228.12582	24.5
228.14865	1.2
229.19528	1.4
241.09758	2.1
242.10513	2.5
243.14960	26.0
253.13405	6.1
254.11778	2.8
255.11301	28.5
256.12082	33.2
256.14709	2.2
258.17252	1.1
269.12704	1.2
271.06076	4.3
271.14423	100.0
271.24200	22.1
272.14734	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	271.0601
Annotation	Apigenin
Peak:m/z	Relative Intensity
55.01854	0.2
55.05499	0.2
61.87138	0.1
64.85616	0.1
67.01862	1.5
68.99790	1.1
69.80808	0.8
73.27740	0.2
79.05472	0.2
81.07056	0.2
91.05481	1.5
93.07074	0.2
95.08604	0.2
97.02914	0.2
105.06998	0.2
106.19488	0.1
107.08549	0.2
109.10138	0.2
111.00759	0.2
115.05426	0.2
119.04952	5.3
119.08570	0.2
121.02860	1.6
128.06178	0.2
129.01837	0.3
133.10109	0.2
141.06995	0.5
145.02866	1.4
145.06537	0.3
153.01839	10.2
153.06949	0.2
155.04942	0.2
156.96979	0.1
160.21700	0.2
163.03931	1.0
165.06900	0.2
169.06461	0.4
171.02867	1.3
173.05952	0.2
176.96591	0.2
181.06544	0.2
187.03928	0.4
197.05988	0.5
203.07051	0.3
225.05373	0.8
225.08885	0.2
229.04985	0.5
243.06311	0.9
247.48608	0.2
253.05055	0.2
271.06021	100.0
272.06281	1.1
289.07068	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0603
Annotation	Galangin
Peak:m/z	Relative Intensity
53.03936	0.5
55.01856	0.2
55.05511	0.5
57.03428	0.2
57.07074	0.2
58.40114	0.2
67.01865	0.3
67.05501	0.8
68.61444	0.2
68.99796	2.2
69.03415	0.2
69.07067	0.7
71.04974	0.3
71.37337	0.2
71.56779	0.3
71.57139	0.3
71.79534	0.2
73.43981	0.2
77.03960	0.2
79.05486	0.9
79.42971	0.2
81.03436	0.2
81.07050	1.0
83.04933	0.3
83.08681	0.3
85.02872	0.2
85.06531	0.3
89.03954	0.2
91.05491	2.4
92.06270	0.4
93.07040	0.7
95.04961	1.0
95.08601	0.9
96.08149	0.5
97.06503	0.2
98.97569	0.2
103.05485	0.3
104.04997	0.2
105.03406	6.1
105.07053	1.0
107.04954	0.4
107.08575	0.7
108.08098	0.3
109.02911	0.5
109.06533	0.2
109.10152	0.6
110.49177	0.2
115.05459	0.4
118.06529	0.4
119.04938	0.6
119.08575	0.6
120.08120	0.2
121.10163	0.3
123.04427	0.2
124.07603	1.2
128.06230	0.3
129.06989	0.5
131.04929	0.9
131.08594	0.6
133.10172	0.4
134.06030	1.2
135.11740	0.4
137.02335	1.0
139.11198	0.2
141.06985	1.9
143.08548	0.4
145.06482	0.6
145.10130	0.3
147.06810	0.6
147.11707	0.2
148.07587	2.1
153.01846	8.3
153.06982	0.7
155.04930	0.4
155.08549	0.4
157.10095	0.4
159.11722	0.3
164.07082	0.4
165.00656	0.3
165.01851	2.3
165.06969	1.2
169.06525	1.1
171.11731	0.3
173.05946	0.5
173.13226	0.3
181.06447	0.5
183.02892	0.7
183.04393	0.3
183.08052	0.6
183.11755	0.3
187.03981	0.4
196.05063	0.2
197.05965	2.6
203.07037	0.3
211.07652	0.4
213.05498	0.4
213.33138	0.2
215.07071	1.7
215.15562	0.4
218.38927	0.2
225.05486	0.8
229.05008	0.8
229.15839	0.2
235.16943	0.5
242.03676	0.2
242.05690	1.1
243.06552	0.3
243.15015	1.0
247.06119	0.4
253.05009	0.6
253.13518	0.3
271.06033	100.0
271.14316	2.4
271.17026	1.1
271.20569	0.8
272.06335	0.6
289.15479	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.284
Annotation	Phytone
Peak:m/z	Relative Intensity
53.00300	0.5
53.03953	1.6
55.05514	58.4
57.03444	0.5
57.07078	43.7
67.05507	5.1
69.07071	100.0
71.08633	26.9
79.05499	1.5
81.03474	0.5
81.07053	6.6
83.05011	0.6
83.08623	66.0
85.10186	15.2
91.05493	0.6
93.07041	2.0
95.08606	3.3
97.06534	0.5
97.10175	65.0
99.11745	1.3
105.07048	0.8
107.08580	1.4
109.10139	1.3
111.11726	26.6
114.78165	0.4
116.82842	0.4
117.06992	0.6
121.10141	0.8
123.11720	0.7
125.13271	8.3
131.08565	0.7
139.14833	1.3
143.08574	0.6
145.10150	0.6
149.13277	1.0
150.50235	0.5
157.10173	0.9
159.11774	0.6
166.54755	0.5
213.16373	0.6
214.38680	0.4
219.21190	0.6
241.19409	0.5
269.17401	0.6
269.22546	3.4
269.28549	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.2
56.96566	3.3
57.03442	8.7
58.99867	3.6
61.02921	4.9
65.70491	1.1
69.03437	12.4
70.05385	4.9
70.99865	1.3
71.04981	2.1
73.02908	9.1
77.00902	2.7
79.20934	1.4
81.03420	4.4
82.01446	3.5
82.99876	5.0
85.02917	23.9
87.04473	2.2
93.01878	1.2
97.01408	4.9
97.02887	13.6
98.97587	3.5
99.04448	1.3
100.02470	6.1
101.00890	44.7
102.00946	1.4
102.02452	2.4
102.16872	1.2
103.02457	2.1
109.02893	2.8
111.02922	2.1
113.00883	4.1
115.02439	29.1
115.03232	1.7
115.03851	1.5
116.98631	1.5
117.04057	2.5
118.03535	2.3
119.01933	100.0
120.01949	2.1
125.02766	1.2
126.98797	3.5
127.02416	1.4
127.03924	6.7
129.03098	1.4
129.04005	8.1
131.01906	14.4
132.03433	2.2
132.05058	2.6
133.03488	27.9
135.05066	2.0
136.06201	4.7
137.02959	17.4
137.06528	1.6
138.03413	4.0
140.05579	1.2
142.03531	4.0
143.01903	13.7
144.03441	1.7
144.99834	7.4
145.03482	9.8
145.04953	1.9
147.01410	2.2
147.05156	6.0
149.02963	2.9
151.04514	1.8
153.03987	3.5
154.03482	3.0
155.01918	7.1
156.05159	1.4
157.03459	3.8
158.03566	1.3
158.06641	3.7
159.01421	3.3
161.02963	13.0
163.03891	3.1
166.04843	2.6
167.01979	1.9
168.99821	16.1
169.03552	2.2
171.01424	7.6
171.05092	1.6
172.99385	2.8
173.02969	10.8
174.04469	4.3
175.04391	1.5
176.07736	1.7
177.02486	2.1
182.02972	2.9
183.05119	2.6
185.03014	7.4
185.06592	8.6
187.00891	32.4
187.04523	1.6
188.07593	2.5
189.02478	7.6
190.05873	1.6
191.04041	3.2
192.05540	9.4
196.99365	10.6
197.03102	1.9
199.00937	3.2
201.02373	6.0
203.04048	4.7
205.02014	8.5
212.04100	3.6
215.00392	40.4
215.03978	2.3
217.01973	4.6
219.03540	3.5
221.05107	2.1
223.04692	1.5
229.01920	4.9
231.07187	1.8
233.01447	19.4
238.02046	3.1
245.05093	3.7
247.02957	17.5
251.02531	21.9
256.03049	22.4
257.05093	2.8
265.04053	5.1
270.04715	2.2
270.08005	2.3
274.04068	12.2
275.02509	1.8
275.06149	3.6
286.84946	1.3
288.05847	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2266
Annotation	Anhydrovitamin A1
Peak:m/z	Relative Intensity
55.05511	6.5
57.03428	3.0
57.07070	2.5
65.03932	0.8
67.05176	0.9
67.05511	13.6
69.07071	8.3
71.05011	0.7
76.01960	0.8
79.05497	9.5
81.07065	27.1
83.04958	1.7
83.08633	4.8
85.06551	1.9
91.05488	8.7
93.07053	18.3
95.04972	1.1
95.08612	17.9
96.93915	0.7
97.06538	1.5
97.10174	1.7
103.05432	1.1
105.07037	31.1
107.08607	16.2
109.06514	0.9
109.10168	12.0
111.08067	1.2
117.07037	4.4
119.07790	1.1
119.08588	14.1
119.56230	0.8
121.10149	12.1
123.11730	10.1
128.06216	0.9
129.07027	4.2
131.08572	10.9
133.10130	10.5
135.11728	6.1
137.13243	2.0
142.07779	1.5
143.08580	10.1
144.09296	1.1
145.10138	14.5
146.80492	0.8
147.11678	9.5
149.13258	6.8
156.09375	1.7
157.10147	13.0
158.10869	1.1
159.11713	13.1
159.79106	0.8
161.13275	11.1
163.14861	0.8
169.10173	1.0
171.11707	10.5
172.12483	0.9
173.13272	8.5
175.14848	6.6
177.12761	1.0
183.11678	1.7
184.12552	0.8
185.13277	10.2
187.14859	4.0
188.68674	0.6
189.16391	1.9
195.13820	1.3
197.13297	1.1
199.14835	8.7
200.15427	0.8
201.16397	2.2
211.14879	2.4
213.16399	12.2
214.17136	0.7
224.41928	0.7
225.16437	1.4
226.17178	2.7
227.17943	5.4
239.18083	1.8
241.19513	11.7
251.20148	0.9
254.20250	1.9
269.17703	3.5
269.22656	100.0
270.22949	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2265
Annotation	Anhydrovitamin A1
Peak:m/z	Relative Intensity
53.03940	0.5
54.19717	0.3
55.05516	2.6
57.04395	0.3
57.06818	0.4
57.07079	4.1
58.58884	0.3
65.03947	0.4
67.05170	0.5
67.05508	7.1
69.06776	0.3
69.07075	3.6
69.82658	0.3
69.85810	0.7
69.86203	0.8
71.08616	1.0
79.05500	5.5
81.03390	0.3
81.07065	7.4
83.08620	1.6
85.10159	0.3
88.77553	0.3
91.05486	10.2
93.07059	6.0
95.04974	0.3
95.08605	5.4
97.69492	0.3
99.74556	0.3
105.07041	6.5
107.08598	2.8
109.10181	1.9
115.05459	1.8
116.06277	0.4
117.07029	10.7
119.08587	5.5
121.10148	3.6
123.11691	0.9
128.05367	0.5
128.06226	4.7
129.07018	18.9
130.07776	1.0
130.49683	0.3
131.08582	18.5
133.10141	4.6
135.11694	2.3
141.07005	1.7
142.07797	5.7
142.28763	0.3
143.08575	20.9
144.09358	0.4
145.10129	11.5
145.11281	0.6
147.11687	2.6
149.13306	1.6
155.08563	1.3
156.09297	1.6
157.10143	37.4
159.11700	5.0
161.13261	1.8
169.10165	2.1
170.10909	1.3
171.11707	26.3
172.12581	0.3
173.13268	4.6
175.14871	1.9
183.11684	1.5
184.12442	1.4
185.13274	19.6
187.14850	6.6
189.16353	1.1
197.13313	1.0
198.14030	0.8
199.14836	13.4
201.16434	5.6
203.18045	0.4
211.14842	1.0
212.15599	0.9
213.16412	8.6
215.17996	1.0
217.05766	0.3
226.17227	0.4
227.17992	5.5
228.18686	0.5
241.19490	3.0
250.70335	0.3
267.20947	0.4
269.22653	100.0
270.23026	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	[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
53.03936	3.2
53.17019	1.3
55.01851	3.9
55.05269	1.4
55.05511	25.5
57.03440	29.1
57.07053	4.2
65.03936	2.1
67.05508	74.8
68.99791	2.5
69.03384	1.9
69.07071	33.0
71.05007	7.5
71.08629	2.1
77.03883	1.3
79.05497	47.3
81.03408	1.8
81.07061	100.0
83.04984	9.8
83.08627	19.2
85.02866	1.3
85.06553	6.2
91.05482	29.5
93.07047	68.5
93.38789	1.5
95.04984	6.8
95.08052	2.3
95.08612	30.4
95.49220	1.2
97.05997	1.3
97.06547	15.0
97.10151	3.2
99.08065	4.3
101.50674	1.4
105.04530	1.3
105.07036	16.4
107.08596	38.2
109.06502	4.6
109.10149	10.3
110.99236	1.3
111.00810	6.3
111.04387	1.9
111.08085	9.6
113.05965	1.3
113.09626	1.5
116.63100	1.1
117.07050	9.5
119.07921	1.2
119.08592	13.2
121.06469	1.7
121.10151	21.2
123.11669	5.2
125.09643	1.8
127.03857	2.0
127.07521	1.4
129.07007	2.2
131.08569	15.0
133.09258	1.2
133.10136	14.5
135.08031	2.7
135.11707	15.0
139.03873	3.0
139.11128	1.3
139.47636	1.2
142.97580	1.2
143.08571	6.6
145.10103	8.6
147.11713	7.0
147.37056	1.4
149.09605	1.7
149.13268	44.1
151.11121	2.9
156.09355	1.4
157.10150	7.7
159.10464	1.9
159.11713	30.9
161.13193	4.8
163.14851	1.6
169.10100	1.6
171.11661	7.5
173.13235	6.0
175.14789	3.1
177.12775	10.7
185.13231	4.1
187.14757	3.1
195.12071	2.0
195.13800	14.5
197.13255	1.4
199.14841	4.9
209.15344	1.6
211.03348	1.4
213.16444	6.9
227.18102	2.3
241.19511	1.7
251.16438	19.5
269.07913	1.6
269.17435	47.2
269.22546	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	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03939	5.7
55.01869	4.3
55.05518	23.3
57.03228	2.5
57.03445	31.8
57.07079	5.4
67.05511	88.2
69.07080	34.7
71.04987	6.7
71.08625	2.9
79.05497	50.1
81.07061	100.0
83.04986	10.0
83.08626	16.7
85.06560	4.7
91.05489	22.2
93.07056	68.9
95.04986	7.4
95.08619	26.7
97.06548	13.9
97.10196	4.5
98.21494	6.4
99.08089	6.6
105.07038	11.5
107.08611	41.3
108.45634	2.5
109.06551	4.4
109.10133	3.5
111.08130	12.8
117.07029	11.0
119.08606	5.9
121.10138	25.5
127.27818	2.6
129.07007	3.1
129.27895	3.0
131.08571	9.4
133.10135	9.5
135.11723	12.2
145.10045	2.5
147.11678	3.0
149.13275	48.1
159.11679	19.7
164.03777	3.1
167.87589	2.4
177.12758	9.2
195.13829	11.2
229.20473	3.0
236.60846	2.9
269.17465	35.3
269.22501	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	269.1749
Annotation	Arteincultone
Peak:m/z	Relative Intensity
52.24596	1.1
53.03942	4.1
55.01870	2.5
55.05265	1.4
55.05514	24.3
55.10066	1.2
57.03441	29.7
57.07079	6.1
63.03503	1.3
65.03928	3.0
67.05508	75.7
69.03424	1.5
69.07072	42.7
70.90250	2.3
71.04987	6.3
71.08660	1.5
79.05498	45.7
81.03428	2.3
81.07063	100.0
83.04990	8.9
83.08624	18.7
83.19256	1.0
85.06544	6.6
89.15894	1.0
91.05491	26.4
93.07050	72.6
95.04971	5.3
95.08051	2.1
95.08614	32.3
96.47297	1.0
97.06537	16.0
97.10168	4.4
98.97578	1.8
99.08082	4.6
105.04478	1.5
105.07044	16.7
106.60192	1.3
107.04965	1.3
107.08599	44.0
109.06524	3.8
109.10155	10.9
111.08095	9.6
111.11723	1.6
113.09655	1.5
115.05417	1.3
117.07014	8.4
119.08587	9.3
121.06547	1.4
121.10157	27.9
123.08041	1.6
123.11717	5.8
124.03496	1.3
125.05960	1.4
125.09628	1.3
129.06995	2.2
131.08577	12.1
133.10121	10.9
135.08070	2.4
135.11707	16.1
137.09674	1.2
139.11180	3.6
143.08556	5.1
145.10147	7.0
147.11646	5.7
149.09563	2.0
149.13266	53.3
151.11182	1.9
156.09384	2.1
157.10170	6.0
159.10457	1.7
159.11717	25.6
161.13330	1.9
171.11717	4.4
173.13249	3.3
177.12747	10.3
181.10100	1.4
185.13264	4.3
187.14841	2.4
189.16467	1.2
195.12076	1.7
195.13806	11.5
199.14787	6.8
211.14830	1.6
213.16400	5.0
227.18024	1.8
251.20094	2.1
269.08267	1.9
269.12677	2.6
269.17523	39.9
269.22589	30.2
269.25500	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03941	3.8
55.01862	3.7
55.05513	21.1
57.03440	41.1
57.07079	5.7
57.48995	1.3
59.65017	1.4
65.03923	1.5
67.05507	71.6
67.44109	1.3
69.07072	32.1
69.46549	1.2
70.90531	1.7
70.90865	2.7
71.04997	7.0
79.05495	43.5
81.03422	2.7
81.07059	100.0
83.04979	11.4
83.08627	20.1
85.06535	5.8
91.05486	19.1
93.07044	73.5
95.04984	6.6
95.08611	24.5
97.06528	13.9
97.10176	2.4
99.08102	3.6
105.07021	6.6
107.08598	41.1
109.06554	3.2
109.10168	4.0
111.08075	10.0
111.11747	1.7
113.06012	1.5
113.09650	2.0
117.07009	7.9
117.13095	1.4
119.08569	3.5
121.06470	2.4
121.10148	27.6
123.11702	2.8
125.09689	2.0
131.08575	10.2
133.10121	8.8
135.08018	2.3
135.11682	9.9
139.11183	3.2
142.07767	1.7
143.08609	1.4
147.11691	2.7
149.13258	49.5
157.10213	2.3
159.11693	20.2
169.10178	1.4
177.12720	11.1
185.13232	1.4
195.13795	15.0
197.13330	1.9
211.15071	1.6
251.17700	1.5
269.17349	39.5
269.22662	3.6
270.17612	1.7
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	Arteincultone
Peak:m/z	Relative Intensity
53.03941	3.7
55.01870	3.7
55.05511	20.7
57.03183	2.8
57.03442	35.0
57.07070	6.2
67.05508	77.4
69.07075	38.1
71.04991	8.1
71.08582	2.2
71.56801	3.1
73.92168	1.9
79.05500	55.6
81.03433	2.6
81.07063	100.0
83.05010	12.1
83.08622	21.0
84.72737	1.9
85.06536	8.6
91.05482	24.1
93.07050	72.4
95.04966	6.6
95.08050	3.6
95.08611	38.7
97.06554	16.5
97.10165	4.2
99.08099	5.9
105.07043	13.3
107.07882	2.5
107.08605	42.3
109.06539	4.7
109.10152	8.2
111.08088	6.7
114.77635	2.1
117.07008	6.6
119.08590	5.4
121.06506	2.7
121.10165	26.2
123.08102	3.7
123.11729	3.0
131.08553	12.0
133.10124	10.2
135.08128	2.6
135.11725	13.6
145.10124	3.4
145.93422	1.8
147.11691	3.6
149.13266	52.1
153.09128	2.5
157.10095	4.0
159.11696	23.9
171.07983	2.5
175.11101	2.6
177.12776	12.9
183.11627	2.0
195.13805	15.4
213.05544	5.1
251.20003	3.8
269.04501	5.8
269.07990	3.0
269.12833	7.1
269.17484	44.0
269.22595	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	268.1044
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01878	0.6
56.96571	0.4
57.03445	0.9
57.86195	0.1
61.02925	0.3
69.03431	0.6
71.21320	0.2
71.21651	0.3
73.02915	0.4
76.10619	0.1
81.03415	0.2
85.02918	0.8
87.04443	0.2
94.04076	0.3
97.02894	0.6
98.97577	0.2
101.00905	0.3
103.00616	0.1
109.02915	0.2
110.97607	0.2
119.01942	0.9
119.03533	0.7
119.77583	0.1
121.01642	0.2
126.46531	0.2
127.03973	0.2
131.01924	0.4
135.04449	0.3
136.06200	100.0
137.04590	0.5
137.06602	0.3
143.01892	0.2
145.03442	0.3
155.02034	0.4
156.02795	0.1
157.03476	0.2
163.03915	0.3
173.02982	0.3
177.04105	0.2
178.01050	0.2
178.07339	0.2
179.00755	1.2
185.02888	0.3
220.56284	0.1
221.01736	1.1
222.03119	0.3
227.00925	0.2
235.06775	0.2
245.01826	0.4
245.04967	0.5
263.02893	4.0
268.10428	5.7
276.44861	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1042
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01865	0.3
57.03427	0.6
62.83577	0.2
69.03425	0.2
70.03429	0.6
70.45596	0.2
83.41317	0.2
85.02876	0.3
85.49095	0.2
94.04048	0.4
95.58681	0.2
109.33231	0.2
119.03537	0.7
133.04993	0.2
133.53853	0.2
136.06195	100.0
137.03648	0.2
137.04614	0.6
137.06534	0.6
159.66336	0.2
194.38174	0.2
268.10458	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	267.1956
Annotation	Pseudopyronine A
Peak:m/z	Relative Intensity
53.03944	0.6
55.01871	0.3
55.05514	2.9
57.03428	0.4
57.07081	2.1
59.04984	0.2
67.01842	0.3
67.05509	3.1
68.99791	3.8
69.03423	0.3
69.07072	2.2
69.90797	0.8
71.04980	0.5
71.08644	0.9
79.05514	1.1
81.03426	2.0
81.07063	3.1
83.04976	0.7
83.08623	1.2
85.02892	0.4
85.10173	0.3
87.00833	2.0
91.05488	1.1
93.07074	0.9
95.04989	1.1
95.08611	2.1
97.02914	0.3
97.06532	0.4
97.10157	0.4
98.03677	0.2
98.98453	0.2
105.07031	0.7
107.08600	0.5
109.02865	0.7
109.06497	0.3
109.10178	0.5
109.64553	0.2
111.00806	1.7
111.04461	0.4
113.02371	1.6
113.06010	0.2
119.08601	0.3
121.10149	0.3
123.04448	0.6
126.03143	3.0
127.03901	1.3
139.03915	0.8
155.07014	0.2
169.08601	0.4
173.13179	0.2
183.10190	0.6
197.11699	0.9
211.13280	1.3
225.14833	0.8
239.16393	0.3
239.20096	0.8
255.75829	0.2
266.78598	0.2
267.19562	100.0
268.19907	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39275	0.7
51.40608	0.7
64.04638	0.7
65.03935	2.0
70.17104	2.8
79.05505	1.6
81.07059	0.7
84.63660	0.7
91.05482	23.8
91.98512	0.8
92.46475	0.7
95.08579	1.2
98.20823	1.0
98.98476	0.7
105.07005	0.9
107.04971	8.4
111.11326	0.7
119.04953	43.9
120.05252	3.9
123.04430	2.2
131.04910	1.6
133.06525	1.3
135.04424	4.1
147.04417	100.0
148.04753	15.2
151.07568	1.2
159.04431	1.7
221.06017	1.3
225.03978	1.0
249.12450	1.0
267.06274	1.6
267.08810	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52232	0.2
53.93433	0.3
56.96575	1.3
57.03426	0.4
61.02914	0.5
69.03414	0.7
71.56002	0.5
73.02884	0.3
74.58142	0.2
77.12709	0.3
82.99848	0.4
84.96037	0.3
85.02905	1.2
94.58920	0.3
96.00139	0.3
96.46211	0.3
97.02877	0.7
97.95793	0.3
98.97584	1.0
99.04462	0.2
101.00875	3.6
106.22721	0.2
116.98737	0.4
117.03351	0.3
119.01927	11.8
120.01974	0.4
123.04456	0.4
127.03926	0.5
132.21092	0.3
133.03482	0.4
133.76541	0.3
134.99846	1.2
135.04411	0.3
137.02957	1.7
140.98792	0.4
141.99741	0.3
147.04416	0.8
158.06558	0.5
158.89084	0.3
158.99886	1.9
160.00102	0.3
161.21826	0.3
163.03992	0.5
172.04779	0.3
175.02977	0.5
177.00958	23.3
178.01039	0.3
182.99899	0.6
188.07668	0.4
193.03979	0.3
195.01907	0.4
199.02740	0.3
200.02577	0.3
201.00916	2.1
217.04077	3.3
217.33069	0.3
219.02007	26.2
220.02216	0.9
225.00853	2.6
235.01530	0.5
243.01965	10.5
244.02074	0.6
261.03067	100.0
262.03201	2.1
262.41330	0.3
263.03491	0.7
275.04605	1.3
284.04608	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	266.0365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05465	0.3
56.96550	0.9
57.03425	1.0
61.02915	0.7
69.03442	1.7
71.04981	0.7
73.02918	0.6
81.03436	0.4
82.99881	0.5
85.02908	2.5
89.03915	0.3
97.02883	1.6
98.97584	0.8
99.04455	0.3
101.00892	4.6
102.00957	0.5
109.02901	0.4
112.99095	0.3
113.00859	0.3
115.02485	0.3
116.98650	0.3
119.01929	12.6
120.02024	0.5
121.01630	0.8
123.04440	0.4
127.03934	0.6
131.00154	0.2
131.01921	0.6
133.01700	0.5
133.03488	0.5
134.99881	1.1
135.04405	0.4
137.01938	0.4
137.02956	2.6
140.98775	0.3
143.01892	0.4
144.02068	0.3
145.01627	0.7
145.03459	0.4
147.03210	0.3
147.04381	0.4
153.00955	0.4
154.04700	0.4
155.01886	0.3
156.03725	0.3
157.03438	0.5
158.06667	0.7
158.99849	1.6
161.02950	0.5
162.03036	0.3
162.99524	0.3
163.02679	0.7
163.03996	1.1
164.03090	0.8
165.99641	0.3
166.38255	0.3
169.05392	0.5
171.01369	0.3
173.01126	0.4
173.02948	0.5
175.02925	0.7
176.03079	0.3
176.07663	0.6
177.00966	26.0
178.01044	0.5
178.04811	0.4
182.99925	0.6
185.06685	0.5
186.99321	0.3
188.07704	0.8
193.04012	0.7
199.02966	0.3
199.04594	0.3
201.00914	1.6
201.02516	0.8
202.03226	0.5
204.10902	0.3
205.00430	0.4
207.01743	0.3
211.03784	1.2
217.04048	3.0
219.02016	26.5
220.02168	1.1
221.02347	0.3
225.00851	1.9
235.01489	0.4
235.06641	1.2
242.03563	0.6
243.01978	11.5
251.87053	0.3
260.04694	0.4
261.03079	100.0
262.03244	1.9
263.03625	0.4
266.07947	0.9
275.04633	1.9
284.04520	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	265.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.6
55.01867	2.0
55.05515	49.4
57.03428	3.5
57.06821	1.9
57.07079	23.0
65.03926	3.2
66.46766	1.6
67.05510	60.1
69.07072	74.4
69.80357	3.6
69.80762	5.8
70.62342	1.6
71.04980	4.9
71.08648	10.4
79.05495	27.0
81.07060	60.8
83.04996	3.5
83.08626	51.3
85.06533	4.8
85.10175	7.8
91.05478	3.2
93.07053	35.5
93.62473	1.7
95.04932	4.0
95.08614	63.5
97.06543	17.8
97.09545	2.0
97.10179	36.9
99.08079	4.3
100.76125	1.6
105.07024	2.5
107.08602	20.7
109.10159	30.3
111.08085	13.1
111.11709	14.5
113.09622	2.5
119.08597	2.0
121.10146	45.3
123.08074	2.0
123.11705	9.4
125.09612	2.5
125.13258	3.8
133.86549	1.6
135.11703	34.8
137.13235	4.8
139.11188	2.6
145.10094	2.0
149.13274	17.6
151.14809	6.9
163.14812	5.7
165.16402	5.4
177.16365	3.3
179.17957	1.8
190.13741	1.6
191.17947	3.1
192.56438	1.7
196.96585	2.2
230.08437	3.3
247.24220	33.5
265.14471	2.9
265.25281	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2527
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
55.01865	3.0
55.05515	53.6
57.03430	4.9
57.07078	26.5
64.19911	2.1
67.05176	3.5
67.05508	58.6
69.07069	84.9
71.05004	4.8
71.08633	14.6
71.18147	2.9
79.05492	36.4
81.07060	66.3
83.05010	2.8
83.08626	62.9
85.06559	5.1
85.10171	7.5
91.05464	5.7
93.07044	45.8
95.04974	3.4
95.08620	70.9
97.06523	19.3
97.10174	40.0
98.49989	2.7
105.07034	3.5
107.08603	22.6
109.06506	2.9
109.10161	31.9
109.46575	2.3
111.08088	11.4
111.11728	14.0
113.09601	3.2
115.56548	2.4
118.71884	2.4
121.10146	47.4
123.11717	11.1
125.09572	4.5
125.13303	4.1
126.38567	2.5
129.06955	2.8
135.11705	36.1
137.13220	5.3
137.62646	2.4
149.13286	17.1
151.14827	8.3
163.14775	7.4
165.16409	4.0
177.16342	2.5
205.19597	2.4
241.98653	3.1
247.24237	33.2
265.18112	4.4
265.25290	100.0
268.37375	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	265.2164
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
55.05514	21.1
55.76356	1.7
57.07073	9.3
59.05006	2.4
64.29454	2.3
65.39853	2.6
67.05510	90.6
67.05874	4.9
69.07077	27.9
71.08620	2.1
71.57790	2.1
79.05498	23.9
81.07065	100.0
83.04992	2.8
83.08633	19.2
85.06550	3.9
91.05487	6.0
93.07059	26.6
95.05016	2.4
95.08617	80.7
97.06528	4.9
97.10187	11.1
105.07027	5.5
107.08615	16.2
109.09451	3.4
109.10164	45.0
111.08064	3.2
111.11709	3.8
117.07037	4.1
119.08596	5.8
121.10173	14.8
123.11720	30.4
131.08580	6.2
133.10158	6.5
135.11705	18.2
137.09569	2.8
137.13275	6.0
139.11235	2.2
143.08604	2.5
145.10126	5.9
147.11792	3.0
149.09622	4.9
149.13245	13.4
159.11728	5.7
163.11214	4.8
163.14870	2.6
173.13327	2.6
177.12724	4.9
191.14165	2.0
191.17944	4.8
205.19543	2.9
209.15466	2.1
211.65080	2.1
215.18013	14.3
233.19009	13.2
241.98763	2.3
247.24229	7.4
265.14227	3.2
265.21667	21.9
265.25235	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1799
Annotation	Actinolide A
Peak:m/z	Relative Intensity
53.03947	1.9
55.01876	8.2
55.05513	43.7
57.03445	1.2
57.07077	12.3
59.04996	0.8
65.03942	1.4
67.01871	6.5
67.05505	14.1
68.99794	48.3
69.03435	3.4
69.07070	40.0
69.38225	3.6
71.01351	0.6
71.04991	1.9
71.08638	3.5
73.06543	0.5
77.03908	0.5
79.05492	13.1
80.47786	0.4
81.03427	2.6
81.06591	0.4
81.07058	18.4
83.04988	9.8
83.08624	29.8
85.02906	0.9
85.06552	1.5
85.10184	1.4
87.00839	2.1
87.08078	0.5
91.05471	3.6
93.03399	1.1
93.07049	20.3
95.04961	2.6
95.08612	21.4
97.02908	5.3
97.06536	13.0
97.10171	16.4
98.03703	0.7
99.04449	1.7
99.08086	1.0
105.07020	3.4
107.04951	2.8
107.08606	14.5
109.02907	0.7
109.06489	2.5
109.10162	8.2
109.10902	0.4
111.00809	93.1
111.04443	17.3
111.08078	5.3
111.11720	3.1
113.02367	1.5
113.05975	0.9
113.09703	0.6
115.03920	0.8
117.07018	1.4
119.08593	4.2
121.06506	3.9
121.10148	16.7
121.11024	0.8
123.04451	0.9
123.08088	2.9
123.11693	2.5
123.89681	0.5
125.05995	5.3
125.09624	5.5
125.13267	0.5
126.03143	8.1
127.03925	23.8
131.08583	3.9
133.10129	1.8
135.08054	5.0
135.11691	8.2
137.09557	2.3
137.13220	1.1
139.03908	49.8
139.07527	4.3
139.11180	5.5
145.06497	0.5
145.10123	4.0
147.11684	1.5
149.06003	2.2
149.09628	5.2
149.13306	1.4
151.07530	1.2
151.11215	0.9
153.05469	3.0
153.09122	4.8
153.12733	0.9
157.08604	1.4
159.11707	1.2
161.13280	1.6
163.07552	2.0
163.11192	3.3
163.14824	7.2
165.09132	0.5
165.12712	1.0
167.07069	5.5
167.10645	4.7
171.10132	4.1
173.09653	0.5
175.14861	0.6
177.09079	1.1
177.12759	1.3
177.16393	6.5
179.14296	0.6
181.08604	9.1
181.12177	2.3
181.15862	1.5
185.11739	4.7
187.14819	4.9
191.10648	1.7
191.18018	0.6
195.10182	13.8
195.17404	2.5
199.13257	1.1
201.16359	1.1
205.12424	0.5
205.15887	7.2
209.09720	0.9
209.11745	17.9
219.17441	2.7
220.17784	0.8
223.13376	10.8
223.16914	17.9
241.17967	5.4
247.16963	2.9
265.17990	100.0
266.18292	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1801
Annotation	Actinolide A
Peak:m/z	Relative Intensity
53.03947	3.3
54.27600	1.5
55.01876	8.2
55.05266	2.6
55.05516	38.0
57.07080	13.9
63.44286	1.5
67.01858	4.8
67.05513	18.6
68.99438	2.1
68.99798	38.7
69.03423	3.5
69.06726	2.5
69.07076	35.6
69.39600	13.9
71.04992	1.7
71.08659	3.7
79.05498	15.1
79.60062	1.8
81.03402	4.7
81.07067	25.6
83.04988	10.3
83.08620	27.2
85.06538	3.9
85.10158	2.2
91.05477	7.2
93.07056	20.5
95.04983	4.2
95.08609	23.9
97.02909	3.9
97.06535	14.2
97.10184	14.5
99.04434	1.9
102.55554	1.9
105.07016	5.5
107.04937	5.4
107.08603	15.9
109.06490	4.6
109.10170	10.6
111.00817	80.7
111.04461	17.4
111.08092	7.8
111.11721	3.3
113.02358	2.4
116.98624	1.5
119.08595	3.4
121.02914	2.7
121.06486	3.1
121.10151	17.9
123.08070	3.9
123.11668	2.1
125.05968	4.2
125.09617	6.8
126.03112	4.7
127.03083	1.9
127.03922	18.0
131.08600	2.3
133.10139	3.4
135.08015	5.8
135.11711	9.3
137.09627	1.8
139.03914	46.6
139.07515	4.5
139.11188	5.8
145.10112	3.9
147.11688	2.3
149.06006	1.9
149.09676	8.4
149.13295	2.2
153.05527	2.7
153.09055	3.0
153.12843	1.8
159.11720	3.3
163.07529	2.5
163.11151	4.1
163.14841	7.8
167.07016	6.1
167.10687	5.2
171.10135	3.0
177.09119	2.4
177.16365	7.3
181.08609	8.6
181.09996	1.7
181.12320	1.5
181.15891	2.1
185.11745	5.6
187.14807	4.5
195.10162	11.8
195.11728	2.5
195.17487	2.3
201.16333	3.0
205.15933	8.5
209.11665	16.0
209.13319	2.2
216.75685	1.7
219.17444	3.1
223.13298	8.3
223.16908	17.9
241.18034	6.6
247.16948	4.7
265.17972	100.0
285.40891	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1435
Annotation	6-Hydroxyisoquadrone
Peak:m/z	Relative Intensity
53.03938	1.8
55.01862	4.5
55.05510	17.6
57.03438	1.4
57.07084	4.1
58.78788	0.5
59.04983	1.0
65.03941	1.0
66.41024	0.6
67.01862	4.9
67.05504	13.2
68.99790	28.1
69.03426	2.0
69.07069	51.5
71.01376	0.7
71.04985	1.7
71.08646	1.0
79.05494	10.4
81.03413	1.9
81.07057	14.1
83.04983	5.2
83.08614	11.7
85.06550	2.1
87.00855	1.1
91.05451	3.8
93.07043	16.9
95.04960	2.4
95.08610	9.8
97.02878	3.4
97.06532	11.7
97.10170	4.1
99.04434	0.9
105.07014	2.7
107.04955	2.6
107.07864	0.9
107.08595	14.2
109.06490	3.5
109.10161	7.5
109.96630	0.6
111.00806	63.5
111.04451	11.5
111.08086	8.1
111.11716	1.6
113.02325	0.7
115.03994	0.7
117.07047	1.8
117.54021	0.5
119.08572	3.4
121.02877	0.9
121.06509	2.6
121.10149	6.2
122.44114	0.6
123.04427	1.7
123.08043	1.8
123.11707	2.0
125.05985	5.0
125.09643	1.2
125.13184	0.7
126.03154	2.5
127.03923	13.5
131.08562	2.6
133.06473	0.7
133.10115	3.0
135.08061	4.7
135.11705	12.3
135.40140	0.6
137.09637	2.7
137.13174	0.7
139.03902	27.3
139.07523	3.1
145.06577	0.8
145.10115	2.3
147.11699	1.3
149.06049	0.7
149.09598	1.7
149.13269	12.1
151.07553	1.4
151.11172	1.1
153.05533	1.4
153.09119	1.6
153.12715	2.4
155.08652	0.6
157.08662	0.6
159.11707	3.8
163.07498	1.1
163.11174	1.0
163.14864	1.5
167.07072	3.0
167.14337	2.5
169.10054	0.8
173.13263	1.1
177.09103	0.9
177.12737	6.8
181.08609	3.7
181.12117	0.6
183.11830	0.5
187.11125	0.8
191.14261	3.0
195.10156	1.8
195.13808	15.3
201.12811	0.9
205.15944	0.7
210.05652	0.7
213.14874	10.8
213.33078	0.6
219.13824	2.1
223.13202	2.8
229.12245	1.0
237.14848	100.0
238.15111	1.1
247.13271	0.7
247.16937	0.9
265.14337	70.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1436
Annotation	(-)-Hydroxyperezone
Peak:m/z	Relative Intensity
53.03951	1.1
54.38485	0.4
55.01875	5.1
55.05513	17.9
57.03439	1.3
57.07072	4.9
59.05001	0.6
65.03928	1.0
67.01871	4.6
67.05504	14.3
68.99795	29.9
69.03439	1.8
69.07069	49.5
71.01365	0.5
71.04991	2.5
71.08614	1.1
79.05499	9.7
81.03424	2.2
81.06578	0.8
81.07060	15.4
83.04982	7.1
83.08617	12.0
85.02907	1.1
85.06540	1.6
87.00838	1.1
91.05478	3.3
93.07045	17.9
94.02563	0.5
95.04961	2.8
95.08607	11.5
97.02901	3.4
97.06533	13.3
97.10172	3.5
99.04477	1.5
99.08125	0.8
105.07033	2.8
107.04955	2.8
107.08596	15.0
109.06511	3.1
109.10159	7.1
111.00808	61.5
111.04437	11.6
111.08086	9.1
111.11714	2.0
113.02366	0.5
113.06003	0.9
115.03914	0.7
116.20886	0.4
117.07017	2.3
119.08583	3.4
121.06509	2.5
121.10146	7.3
123.04422	0.9
123.08058	2.3
123.11705	1.7
125.05991	5.2
125.09615	1.3
125.13277	0.8
126.03159	3.4
127.02964	0.6
127.03916	13.7
131.08583	2.7
133.10136	2.9
135.08060	5.1
135.11691	12.9
137.09628	2.1
139.03908	29.0
139.07486	2.8
139.11177	0.5
145.06506	0.9
145.10135	1.7
147.11736	1.1
149.06010	1.6
149.09607	2.1
149.13263	12.4
151.03937	0.5
151.07574	1.4
151.11215	1.1
153.05478	1.8
153.09105	1.3
153.12712	2.4
157.08600	1.1
157.10158	0.5
159.07973	0.5
159.11697	3.3
163.07529	1.5
163.11244	0.9
163.14807	1.0
167.07074	3.4
167.14326	3.1
171.10196	0.8
173.13243	1.4
177.00810	0.5
177.09062	1.1
177.12755	7.6
181.08624	3.0
181.12175	0.5
191.14314	3.8
195.10205	2.1
195.11964	0.9
195.13812	16.0
199.43622	0.4
201.12766	0.7
213.14859	12.6
219.13866	3.0
222.30020	0.5
223.13293	3.9
227.20464	0.5
237.14859	100.0
238.15227	1.7
247.13228	0.7
247.16913	0.6
265.14359	73.8
266.14761	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1437
Annotation	Epoxycantabronic acid
Peak:m/z	Relative Intensity
50.39273	1.8
53.03942	12.2
55.01883	9.8
55.05514	12.7
57.03191	2.1
57.03441	33.6
57.07074	4.0
61.90906	2.2
65.03928	5.5
67.05508	61.2
69.03422	5.0
69.07071	15.2
70.98006	2.3
71.05017	4.1
71.56358	2.2
79.05499	100.0
81.03047	2.3
81.03426	24.8
81.06590	2.1
81.07065	36.4
83.04986	17.0
83.08613	5.1
85.02906	3.7
85.06550	3.5
91.05486	82.7
93.07052	41.7
95.04980	29.3
95.08617	22.7
97.02877	3.2
97.06549	15.8
97.10204	2.8
99.04438	3.5
103.03969	14.1
103.05444	5.7
105.04524	2.1
105.07038	42.1
107.04957	42.1
107.08607	25.4
109.06519	7.3
109.10146	8.8
109.63982	1.8
111.04462	3.1
111.08037	2.3
113.05975	3.6
115.05438	5.0
117.07025	44.8
119.08578	32.0
121.06508	8.5
121.10157	18.5
123.08056	5.8
123.11718	4.6
125.06011	4.0
128.06209	5.4
129.05438	5.8
129.07024	17.6
130.07776	7.9
131.04976	4.2
131.08586	41.1
133.10126	9.8
135.08066	9.1
135.11690	22.0
143.08563	7.4
145.06491	9.3
145.10135	53.3
147.08066	18.5
147.11740	3.5
149.09636	6.7
149.13312	2.6
153.07016	2.7
155.08536	8.9
157.10074	3.3
158.07394	2.4
159.11755	3.9
161.09622	2.5
163.11215	29.3
173.09633	23.2
173.13187	3.2
175.11148	2.6
181.10202	2.1
187.11163	2.2
191.10664	7.3
193.10130	2.2
195.11723	2.6
201.16389	2.4
219.13686	2.4
236.54066	2.0
239.84459	2.1
247.13258	2.9
247.16891	5.8
265.08624	2.8
265.11917	3.6
265.14355	23.0
265.17816	3.8
265.21844	3.7
265.25241	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	265.1437
Annotation	Spicatolide H
Peak:m/z	Relative Intensity
53.03939	3.1
55.01855	5.2
55.05513	20.7
56.96562	1.5
57.03428	2.2
57.07057	4.7
59.15888	1.5
67.01840	2.2
67.05511	20.7
67.85406	1.8
68.99802	28.2
69.03412	3.0
69.07072	46.1
71.04987	3.0
71.08663	1.3
71.57118	1.5
79.05492	12.7
81.03418	3.5
81.07065	23.7
83.04971	6.8
83.08625	11.4
85.06545	3.5
91.05464	5.5
93.07054	20.9
95.04971	4.4
95.08144	1.4
95.08628	18.5
97.02901	2.2
97.06537	12.7
97.10158	3.9
105.07024	4.5
107.04968	3.6
107.08605	16.9
109.06526	2.3
109.10186	10.2
111.00049	2.7
111.00812	54.9
111.04460	9.9
111.08089	8.9
117.07006	4.0
119.08575	5.6
121.06488	4.0
121.10151	9.5
123.08020	2.0
123.11726	3.5
125.02322	3.3
125.05964	7.5
125.09605	1.6
126.03114	2.6
127.03922	12.3
131.08554	4.1
133.10170	2.6
135.08022	4.7
135.11694	12.1
137.09572	1.5
137.13261	1.9
139.03914	25.4
139.07521	3.7
139.72391	1.6
145.10115	6.0
147.07999	1.8
147.11716	3.0
149.05995	4.4
149.09602	3.0
149.13284	11.9
151.03893	1.9
151.07556	2.0
153.09053	2.4
153.12730	3.3
159.11664	2.1
163.07439	1.7
163.40871	1.4
165.09259	1.7
167.07059	3.6
167.14328	3.2
177.12756	6.7
181.08569	4.3
181.10085	1.5
187.11089	1.9
187.14886	1.8
191.10678	1.9
191.14278	2.8
195.13795	15.4
213.14877	11.5
219.13675	2.0
223.13231	3.2
237.14867	100.0
247.13329	1.6
247.17104	2.6
265.14346	77.9
265.21909	2.2
265.25146	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	265.1436
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03934	5.4
53.53027	3.8
54.09525	3.0
55.01879	5.5
55.05508	19.1
55.59131	3.3
56.50896	3.5
57.03419	3.1
63.53307	3.3
65.03930	12.2
67.05505	36.1
67.95243	2.8
69.03430	45.8
69.07061	8.5
69.92770	4.6
69.93174	11.3
71.04988	8.2
76.43336	3.1
77.03883	4.3
77.68612	3.0
79.02526	3.5
79.05505	27.0
80.05546	3.5
81.07059	22.5
83.04968	16.6
84.33920	3.0
85.02922	4.8
85.06531	5.4
89.03911	9.6
91.05486	77.4
93.03416	9.8
93.07055	50.4
95.04967	41.0
95.08618	28.3
97.02870	8.2
97.06534	8.5
98.20809	3.5
103.05482	5.4
105.07034	78.4
107.04951	7.8
107.08610	23.5
109.02873	6.1
109.06546	31.2
109.10118	9.2
109.70873	3.9
111.04448	32.0
111.08085	11.3
113.02277	3.6
113.06001	18.2
115.05477	6.9
116.06264	4.2
117.03385	26.0
117.07018	25.1
119.04925	19.7
119.08582	100.0
121.02875	10.0
121.06505	56.3
121.10115	20.5
123.04417	6.0
123.08054	27.5
125.05952	7.2
128.06223	8.2
129.07013	24.2
130.07825	6.5
131.08594	47.5
132.05740	4.7
133.06487	14.2
133.10141	21.1
135.04465	4.6
135.08063	91.4
135.11710	3.5
136.06255	4.5
137.02322	10.2
137.09599	13.7
139.03864	10.6
139.07515	6.0
141.06998	8.6
142.07768	13.5
143.08554	23.1
144.05669	4.1
144.09393	15.6
145.02850	32.9
145.06491	14.0
145.10129	35.4
146.07243	5.8
147.04387	13.5
147.08049	58.3
147.11676	11.1
149.05962	11.3
149.09602	12.2
151.07484	6.1
153.06970	4.5
154.07771	6.3
155.08522	11.1
156.09286	9.2
157.06503	4.3
157.10129	24.9
158.07265	28.4
158.10909	5.6
159.08063	42.6
159.11684	48.2
160.08833	5.7
161.02362	4.2
161.05940	4.0
161.09607	36.6
161.13225	6.3
165.09111	34.8
168.09346	9.5
169.10091	4.9
171.08051	9.5
171.11705	9.5
172.08817	21.2
173.06000	3.7
173.09665	25.9
173.13271	23.4
175.03922	39.4
175.07552	75.8
175.11208	43.6
176.04659	9.3
177.05429	12.2
177.09116	4.1
183.11725	16.3
185.09625	10.0
186.10272	4.3
187.11192	51.0
189.09074	13.2
189.12759	14.2
193.08620	26.9
193.10129	4.8
196.08806	11.0
199.11208	16.3
201.05450	11.1
201.12737	40.9
203.10677	49.9
205.12236	11.9
207.10208	4.2
211.11217	19.9
217.12270	21.7
219.06551	27.1
219.13792	8.9
229.12241	30.4
230.82388	3.6
235.13246	11.1
247.13155	47.6
247.16904	4.0
265.06958	7.5
265.14301	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	265.1437
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
52.04321	3.5
53.03950	6.3
55.01867	4.3
55.05500	13.4
57.03435	8.7
59.37604	3.2
60.40471	3.8
61.40146	3.2
61.76499	3.6
65.03930	13.2
65.84509	3.3
67.05508	32.6
69.03445	37.6
69.07063	9.8
69.91555	18.1
71.04969	9.5
72.93795	5.3
73.02906	3.5
79.05489	28.8
81.03403	3.7
81.07050	14.4
83.04950	13.2
85.02895	4.4
85.06547	4.2
91.05487	60.6
93.03400	10.6
93.07055	40.8
95.04971	51.1
95.08618	26.0
97.02882	11.2
97.06506	7.6
97.27773	3.4
98.21400	5.1
99.04478	7.8
103.05482	4.5
105.06381	5.9
105.07040	83.7
107.04971	5.0
107.08601	32.2
109.02872	7.8
109.06533	35.6
109.10173	9.4
111.04448	40.0
111.08077	12.7
113.06023	18.4
115.05459	6.0
116.06242	5.7
117.07044	20.8
119.04933	10.6
119.08588	100.0
120.08120	5.4
121.02875	24.9
121.06505	47.5
121.10128	13.4
123.04440	8.4
123.08092	26.1
125.06064	5.6
128.06236	10.2
129.07040	19.1
130.07811	6.9
131.08572	42.2
133.06482	13.1
133.10135	22.2
135.04512	4.5
135.07098	6.6
135.08067	86.0
137.09647	17.7
139.03896	29.3
139.07556	9.9
141.07011	9.5
142.07738	12.7
143.04938	5.3
143.08553	15.7
144.05725	5.7
144.09349	8.4
145.06531	10.8
145.10127	36.9
146.07225	7.1
147.04404	12.6
147.08061	51.3
147.11687	20.5
149.09607	9.9
151.07523	6.4
155.08556	11.0
156.09334	7.6
157.06526	6.5
157.10147	21.1
158.07300	25.8
159.04323	3.6
159.08095	38.6
159.11676	44.5
161.05965	6.7
161.09625	50.3
161.13319	5.6
163.03923	19.4
163.07550	5.8
163.11197	4.5
165.09123	35.8
168.09410	8.5
169.10124	5.2
171.08058	7.9
171.11693	11.5
172.08817	22.3
173.05972	20.7
173.09595	18.3
173.13205	24.8
175.07578	65.1
175.11162	37.7
181.04980	8.2
181.06541	4.1
183.11740	16.8
185.09660	4.8
186.10345	7.5
187.11168	43.8
189.09106	12.5
189.12762	14.7
191.06958	6.2
191.10687	4.6
193.08638	27.2
193.10158	6.2
196.08783	10.1
199.11227	14.4
201.05511	5.1
201.12727	29.9
203.10674	52.0
205.04987	14.5
205.08720	4.2
205.12184	8.8
207.10162	4.8
211.11255	21.6
217.12248	24.5
219.13785	11.3
229.12141	27.9
235.13235	10.3
238.13863	3.5
247.13406	48.5
254.99615	4.1
265.11514	7.0
265.14316	70.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1435
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03946	8.1
55.05503	11.0
57.03424	4.4
58.00711	5.1
65.03938	12.9
67.05514	30.1
69.03430	32.3
69.07047	4.5
69.64172	10.3
69.64583	19.5
71.04993	6.0
79.05487	25.2
81.03406	5.1
81.07049	16.5
83.04979	10.4
91.05479	62.3
93.07048	39.1
93.15807	4.4
95.04989	40.7
95.08636	23.3
97.02872	5.3
97.06542	12.4
98.21444	9.3
103.05453	4.3
105.07046	75.9
107.04931	7.1
107.08630	24.4
109.06552	27.5
109.10170	5.3
111.04467	36.9
111.08060	7.6
113.05980	16.3
114.54260	4.2
115.05466	7.4
117.07010	22.2
119.04945	8.3
119.08588	100.0
120.08070	8.4
121.02895	16.4
121.06522	47.2
121.10129	14.6
123.04446	5.5
123.08112	25.0
128.06259	7.2
129.06978	21.9
130.07756	9.6
131.08588	42.6
133.06459	15.3
133.10123	23.3
135.08072	83.0
137.09608	18.8
139.03879	13.0
139.07533	5.6
141.06995	8.8
142.07799	12.0
143.08551	15.5
144.05673	4.3
144.09319	10.0
145.06485	16.1
145.10123	35.9
147.04436	7.9
147.08078	34.1
147.11694	19.1
149.05901	6.2
149.09615	10.9
153.06949	4.9
155.08556	10.0
156.09393	9.7
157.06464	9.0
157.10161	21.1
158.07300	20.9
159.08072	49.9
159.11736	39.5
160.08803	6.2
161.09610	35.5
161.13239	6.7
163.03922	5.3
165.09151	32.5
168.09344	8.2
169.10150	7.1
171.08047	9.1
171.11668	6.5
172.08855	17.7
173.05923	12.3
173.09602	19.6
173.13281	16.2
174.06682	5.8
175.07582	60.4
175.11205	35.8
183.11685	12.7
185.09685	4.3
186.10390	9.5
187.11156	40.1
188.08458	5.6
189.09113	7.7
189.12746	16.7
191.07149	5.5
193.08612	27.2
196.08887	9.0
197.48012	5.3
199.11169	12.7
201.12772	31.9
203.10692	49.2
205.04988	5.8
205.09625	5.4
205.12401	6.1
211.11197	21.1
217.12222	20.9
219.13745	10.3
229.12291	23.7
235.13292	10.0
247.13376	40.4
265.11792	28.5
265.14362	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	265.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.2
55.05509	1.9
56.96552	1.1
57.03435	1.7
57.07072	1.1
60.95847	1.5
65.03939	3.6
67.05497	1.9
69.03424	1.7
69.07053	2.8
71.55486	1.6
79.05486	3.7
81.03419	2.1
81.07055	2.5
83.08620	0.9
85.02906	1.7
87.92139	1.0
89.03915	8.7
91.05470	6.6
93.03414	6.5
93.07056	2.1
95.04951	1.4
95.08624	1.4
103.05434	1.7
105.07054	2.4
107.04958	5.7
107.08578	1.0
109.02887	2.0
109.06492	1.5
111.03693	2.1
111.04445	31.9
113.02372	1.8
117.03385	9.9
119.04942	4.5
119.08560	2.6
121.02896	2.1
121.10145	1.6
123.04372	1.1
125.25040	1.2
127.03883	1.0
131.04953	1.8
131.08571	1.9
135.04427	24.6
137.02368	2.4
137.05998	2.1
139.03912	84.2
145.02856	12.3
145.03883	1.6
145.06488	1.8
147.04419	8.4
155.03380	4.2
155.08183	1.8
159.11748	1.7
161.05885	1.1
163.03915	100.0
165.08977	1.1
166.86124	1.0
173.06056	2.1
175.07597	1.5
177.05453	2.0
181.04970	44.0
187.03911	1.5
191.07066	1.6
201.05426	1.1
202.90408	1.1
205.04965	4.6
219.06599	1.8
219.11499	1.1
221.04662	1.2
237.16002	1.2
243.01617	2.1
247.05931	2.7
261.02579	1.1
265.03473	2.4
265.07108	2.0
265.11880	1.9
265.14417	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	264.02
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
55.01872	7.2
56.72224	2.5
56.96547	2.9
57.03440	23.9
58.38817	2.2
61.02935	17.3
69.03437	35.0
69.97054	9.0
70.03756	2.8
71.05006	5.0
73.02927	30.0
74.42533	2.7
81.03421	10.1
82.99872	2.4
83.99951	3.1
85.02913	66.3
86.99326	2.8
95.04993	3.0
97.02905	35.7
98.97582	5.0
99.04429	4.2
101.00887	28.4
102.00949	23.9
103.02464	3.7
109.02898	7.8
111.02930	5.9
113.00842	6.6
114.00954	4.8
115.02410	3.4
119.01934	42.9
120.02002	35.2
121.01712	3.0
123.02901	7.9
127.02443	3.6
127.03919	27.7
129.02950	3.0
131.01909	24.9
132.01982	21.1
132.03488	4.4
133.03476	7.1
135.02841	3.0
138.03400	11.2
138.53563	4.1
143.01913	40.2
144.02031	45.1
144.03381	5.9
145.03479	12.1
145.04990	10.6
147.03963	5.3
150.03375	3.0
153.03960	7.8
155.01918	21.7
156.02057	13.6
157.03447	12.9
159.05061	3.4
161.02985	47.4
161.05539	11.6
162.03093	100.0
163.02710	6.6
165.03961	5.8
167.01929	10.1
170.06070	9.6
173.02982	30.5
174.03128	35.1
174.04538	30.2
174.54636	4.1
175.04555	8.5
176.04723	3.0
179.01968	3.1
183.04988	19.7
183.55147	4.2
185.02979	44.5
185.04593	5.6
186.03142	8.0
187.04510	12.2
191.04048	7.2
192.04175	16.3
192.05717	4.8
196.04510	2.7
197.02951	10.4
198.03296	3.0
203.04004	16.9
204.04201	24.4
209.03015	3.3
215.04060	6.2
221.02925	3.6
221.05115	6.4
222.05232	4.9
227.04012	9.0
245.05099	65.3
246.05325	7.2
257.05069	7.0
258.44421	2.6
263.06232	5.5
264.01968	8.6
264.06390	41.8
271.94150	2.4
275.06067	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	263.2371
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.00329	0.9
53.03929	2.6
54.24911	0.9
55.05263	1.2
55.05510	17.1
57.03425	2.0
57.07081	10.6
58.11200	0.8
65.03926	2.2
67.05508	95.5
69.07067	21.3
70.17531	3.6
71.04980	1.6
71.08631	4.5
71.93066	0.9
79.05063	1.6
79.05497	23.1
81.07059	100.0
83.05008	1.8
83.08619	17.1
83.33505	1.0
85.06544	3.4
85.10175	2.7
91.05476	18.4
93.07046	27.5
95.04971	2.5
95.08609	87.3
95.74589	0.9
97.06541	8.2
97.10188	7.3
99.08096	4.4
100.16358	0.9
105.07040	13.9
107.08596	15.0
109.06528	1.6
109.10159	38.1
110.10471	1.2
111.08054	5.5
111.11749	1.2
113.09646	3.0
119.08584	11.4
121.10148	15.9
123.08063	2.5
123.11716	20.9
125.09653	1.6
127.11229	2.3
133.10139	14.7
135.11697	8.1
137.09608	2.2
137.13252	8.5
141.12744	1.1
142.07849	1.0
145.10075	1.3
147.11687	11.1
149.13260	9.7
151.11115	1.4
151.14812	7.6
155.14319	1.2
161.13264	9.8
163.14842	9.9
165.16367	9.2
175.14842	9.4
177.16452	2.9
179.17984	2.6
186.37503	1.0
189.16388	3.7
203.17897	1.6
207.17372	1.2
217.19389	1.2
233.13231	1.8
245.22672	29.3
253.12639	1.0
263.14276	1.9
263.18216	5.2
263.23715	77.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2371
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03944	2.5
55.01888	0.9
55.05516	15.5
57.03431	2.2
57.07080	13.8
65.03922	2.1
67.05508	87.3
69.03425	1.7
69.06720	1.2
69.07074	17.5
69.68353	4.8
71.04993	1.4
71.08643	5.9
73.31797	0.7
79.05495	23.8
81.07062	100.0
83.04985	2.7
83.08627	14.7
85.06554	4.1
85.10165	2.7
91.04900	0.8
91.05486	16.6
93.07053	26.3
95.04955	2.4
95.08612	89.4
97.06533	8.8
97.10184	6.3
99.08093	5.2
105.07030	12.7
107.08593	12.4
109.06532	1.8
109.10163	42.9
111.08094	5.3
111.11711	0.9
113.09667	3.7
119.08586	12.7
121.10154	16.2
123.08080	3.9
123.10813	1.1
123.11720	20.2
125.09633	1.6
127.11176	2.0
133.09232	1.2
133.10143	15.2
135.11685	10.3
137.09605	2.8
137.13263	8.4
141.12704	1.9
147.11688	9.7
149.13252	7.1
151.11189	2.3
151.14821	8.0
155.14297	1.3
161.13260	11.8
163.14861	9.9
165.16406	9.1
167.14330	0.9
175.14861	7.8
177.16386	2.0
179.17905	3.9
181.15834	1.0
189.16432	4.7
203.17938	2.2
210.79204	0.8
217.19624	1.1
228.46066	0.8
245.22652	32.5
263.14630	3.2
263.23712	72.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
50.77719	0.7
53.03944	1.9
55.01867	0.8
55.05263	1.1
55.05510	14.3
57.03430	1.2
57.07079	9.9
63.94870	0.8
65.03926	2.5
67.05506	79.3
69.03439	0.7
69.07072	14.5
69.41128	5.2
71.04957	1.6
71.08635	6.0
79.05057	1.5
79.05494	21.0
81.07059	100.0
82.19572	0.7
83.04973	2.6
83.08621	11.4
85.06535	4.2
85.10171	3.2
87.52139	0.7
91.04961	1.4
91.05484	16.4
93.07050	23.8
95.04969	2.7
95.08609	82.3
97.06539	7.1
97.10172	6.9
99.08099	6.6
105.07033	10.9
107.08604	14.4
108.65494	0.7
109.06483	1.2
109.10158	40.7
110.73642	0.7
111.08123	4.2
111.11694	1.6
113.09649	3.2
117.07029	0.9
119.08585	13.7
121.10148	17.4
123.08054	2.4
123.11710	20.6
124.91747	0.7
125.09677	1.3
127.11089	1.0
131.08568	0.9
133.09224	1.2
133.10135	11.7
135.11702	9.0
137.09634	2.0
137.13252	7.1
141.12700	2.1
145.10072	0.9
146.23204	0.7
147.11696	11.6
149.13257	8.3
151.11133	1.4
151.14813	8.4
155.14328	1.6
161.13240	9.3
163.14810	7.2
165.12721	1.5
165.16386	9.1
171.11707	1.2
175.14836	6.7
177.16440	1.6
179.17902	3.8
181.15808	1.3
189.16377	3.6
203.17953	1.2
204.13280	1.0
217.19463	1.5
217.95930	0.7
245.22653	33.8
247.11835	1.2
257.00891	0.7
263.14670	8.5
263.23703	65.1
264.24127	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	263.2371
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03951	3.0
55.01872	1.4
55.05516	17.3
57.03450	1.4
57.07080	11.4
65.03944	2.0
67.05512	91.6
69.03445	1.2
69.07076	18.5
69.33939	2.3
69.34338	9.6
71.05006	2.1
71.08638	5.2
79.05502	28.9
80.05833	3.1
81.07065	100.0
83.04996	1.7
83.08624	12.8
85.06544	4.4
85.10187	2.7
91.05482	18.8
92.05823	1.7
93.07052	28.2
94.07401	4.3
95.04960	3.1
95.08616	86.0
96.08936	2.0
97.06536	6.7
97.10171	6.2
99.08096	5.8
105.07043	12.5
107.08597	15.5
108.08949	1.7
109.06550	1.5
109.10167	43.6
110.10548	1.4
111.08101	5.5
113.09644	2.6
119.08592	12.6
121.10146	20.5
123.08093	1.8
123.11720	19.3
125.09644	1.3
127.11249	1.6
129.07034	1.5
133.10133	13.3
135.11684	9.8
136.12001	1.5
137.09621	2.5
137.12366	2.0
137.13257	9.4
140.25890	1.0
145.10127	1.5
147.11693	9.1
149.13286	9.1
150.13617	1.7
151.11267	1.5
151.14857	5.1
155.14311	1.4
159.11797	1.7
161.09628	1.4
161.13286	12.3
163.14893	6.7
165.16422	7.5
175.14853	8.3
177.16513	1.4
179.18045	1.7
189.16452	3.8
217.12332	3.0
217.19496	1.2
245.11679	1.5
245.22708	30.5
263.12756	2.2
263.16565	3.0
263.23727	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	263.2371
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03945	1.8
55.01872	0.9
55.05512	15.1
57.03434	1.4
57.07077	9.9
65.03926	2.4
67.05505	88.5
69.03431	0.6
69.07070	16.9
71.04984	1.5
71.08638	6.1
71.56609	0.4
72.70988	0.3
74.09721	0.5
79.05494	22.5
81.07058	100.0
83.04989	2.0
83.08626	13.8
85.06551	3.7
85.10193	3.3
91.05479	15.2
93.07047	23.0
95.04989	1.8
95.08608	86.5
97.06535	7.5
97.10178	6.7
99.08087	5.9
105.07029	10.8
107.08598	14.4
109.06503	1.6
109.10159	43.5
111.08086	4.3
111.11756	0.8
113.09656	3.1
117.07001	0.5
119.08585	11.6
121.09391	0.3
121.10141	15.3
123.08076	1.8
123.11710	19.5
125.09616	1.0
125.13264	0.5
127.11188	1.9
129.06995	0.4
130.14424	0.4
130.52510	0.4
131.08577	0.6
133.10133	13.8
135.11694	11.9
137.09622	2.3
137.13255	8.4
139.11205	1.1
141.12773	1.9
147.11694	10.5
149.13264	9.0
149.14333	0.3
151.11177	1.6
151.14824	8.0
153.12750	0.7
155.14322	1.1
159.11656	0.4
161.13261	10.2
163.14822	7.6
165.12798	0.8
165.16393	9.5
167.14313	1.2
171.11865	0.4
175.14830	7.3
177.16374	1.7
179.14394	0.5
179.17929	3.5
181.15889	1.2
184.52682	0.4
189.16389	4.4
193.15761	0.5
203.17952	1.4
207.10028	0.4
207.17426	0.8
217.19498	1.7
219.21121	0.4
221.19011	0.5
245.11687	0.5
245.22661	31.8
263.23703	73.1
264.24081	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1281
Annotation	Arglanin
Peak:m/z	Relative Intensity
53.03947	20.4
55.01864	8.3
55.05519	11.3
57.03415	3.2
58.00499	2.2
65.03917	9.8
67.05234	2.6
67.05505	26.1
68.99780	3.1
69.03429	20.8
69.07055	6.2
70.06580	10.5
71.04994	3.1
71.55518	2.4
73.06505	2.3
79.05123	2.3
79.05495	24.3
81.03405	7.7
81.07054	17.3
83.04980	26.6
83.08611	3.7
85.02909	5.4
91.05486	25.0
93.03383	6.6
93.06554	2.7
93.07057	35.1
95.04453	2.9
95.04983	41.3
95.08054	3.6
95.08611	48.5
97.02866	8.1
97.06514	12.0
97.56103	2.8
103.05438	6.8
105.03388	4.3
105.07037	38.1
107.04972	23.5
107.07970	2.5
107.08608	27.4
109.02885	77.1
109.06517	19.7
109.10165	3.4
111.04470	11.8
111.08060	4.0
115.05437	4.9
116.06315	4.3
116.07094	31.3
117.06992	8.8
119.04895	4.8
119.08614	25.1
120.08108	38.9
121.02901	12.8
121.06508	32.7
121.10117	4.9
123.04462	16.0
123.08064	18.9
125.05949	5.8
127.03902	3.4
128.06215	7.1
129.07014	11.2
131.04904	4.7
131.08572	13.4
133.02853	5.7
133.06522	19.7
133.10118	10.1
135.04333	4.6
135.08041	19.7
136.06169	3.8
137.02371	24.3
137.03397	4.4
137.05972	9.3
137.09581	3.9
139.03938	11.1
139.07538	4.1
141.05472	7.8
141.06923	11.7
142.07819	12.4
143.08594	19.2
145.06476	10.9
145.10103	10.8
147.04338	4.1
147.08038	18.9
147.11650	7.0
149.05913	7.7
149.09602	4.7
151.03848	3.8
151.07581	11.6
153.06923	3.2
155.08519	7.0
156.09369	13.4
157.06413	4.1
157.10115	17.5
158.07196	2.9
159.08092	19.3
159.11694	9.3
160.08797	3.5
161.06000	21.9
161.09660	14.5
161.13182	5.1
163.07542	13.0
165.05493	3.3
165.06995	4.0
165.09064	4.1
166.07776	7.6
167.07013	8.6
169.10092	5.0
171.04385	5.7
171.07950	5.3
171.11722	20.3
173.05965	2.8
173.08282	3.0
173.09634	12.8
173.13315	4.2
175.07520	7.2
175.11171	10.8
177.09100	8.8
179.03389	5.0
179.07048	5.5
181.08577	4.1
181.10103	7.3
184.08810	4.8
185.09587	10.2
187.07524	9.7
187.11150	8.2
187.91138	2.3
189.05478	21.8
189.09085	6.9
189.12735	7.6
191.07007	7.9
191.10696	4.1
193.12245	4.5
197.09616	4.9
199.03894	7.5
199.07599	3.2
199.11197	30.9
201.09062	4.1
203.06926	2.6
203.10654	17.2
205.08594	7.4
205.12189	4.1
209.09679	4.9
215.10651	7.6
217.04988	11.3
217.08540	6.0
217.12204	26.5
220.09438	3.4
221.11696	9.6
227.10641	17.4
233.11613	5.9
245.04471	5.3
245.08009	4.6
245.11803	46.6
263.01944	3.9
263.05203	15.4
263.12784	100.0
263.16452	4.1
263.23608	3.5
271.67773	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	263.128
Annotation	Complicatic acid
Peak:m/z	Relative Intensity
51.02377	0.9
53.03953	29.1
55.05529	0.6
57.03421	0.8
59.03138	0.4
63.69232	0.4
67.05505	2.5
69.03458	0.5
69.07069	0.6
69.56055	0.4
69.70683	3.0
71.05000	4.7
79.05064	0.9
79.05505	16.7
81.03423	30.6
81.07053	4.6
91.05495	4.5
93.07038	1.5
95.04459	0.5
95.04952	3.0
95.08604	0.9
97.06538	8.0
99.04432	0.7
105.03437	0.7
105.07040	3.6
107.04962	3.3
107.08593	0.6
109.06522	2.1
115.05434	0.8
117.07028	5.3
119.08588	3.5
120.05469	0.4
121.06525	0.6
123.08070	2.2
125.05997	1.3
129.07004	2.4
130.91330	0.4
131.08583	1.3
139.07535	1.2
142.07765	1.3
145.06500	5.2
145.10100	0.9
147.08064	4.6
147.11717	1.2
151.07545	5.7
157.10159	1.3
159.08064	0.7
161.13132	0.5
171.11760	0.8
174.10468	0.6
175.07559	2.0
175.11211	6.9
189.12772	1.9
199.11009	0.6
203.10635	1.5
217.12259	28.2
221.11768	2.7
245.11745	3.8
263.12808	100.0
264.13089	0.9
276.14966	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0916
Annotation	3,4-Dihydro-1,2-secomicrominutinin
Peak:m/z	Relative Intensity
53.03953	3.4
55.01877	6.7
57.03434	3.6
57.98315	1.2
61.02936	7.2
61.22106	1.4
67.05502	1.3
69.03429	4.5
69.41385	9.1
70.06609	1.5
71.01352	1.5
71.04984	2.1
73.02932	3.0
76.02212	1.6
79.05483	3.5
81.03423	4.5
83.04963	1.5
85.02906	5.7
85.06571	1.7
87.04469	3.5
91.05487	7.6
93.03455	1.3
93.07043	1.4
95.04986	7.2
97.02907	2.3
98.97581	1.4
99.04449	5.8
103.05477	4.4
105.07057	10.4
107.04298	1.9
107.04968	27.0
109.02945	1.2
115.05474	5.8
117.03728	9.2
117.07023	8.9
119.04961	11.0
119.08595	2.8
121.02875	9.5
121.06505	4.1
123.04447	37.0
127.05453	1.8
128.06236	5.8
129.06998	5.4
131.04930	11.0
131.08598	2.1
133.06506	32.6
135.04408	2.0
141.07010	4.9
143.08554	6.0
144.05698	5.5
145.06499	29.7
145.10207	1.6
147.04422	20.3
147.08061	14.6
149.05992	5.7
152.06215	2.2
153.01820	3.8
153.07011	10.8
155.06065	5.0
157.06509	28.7
158.07224	1.4
159.04404	5.5
159.08078	8.9
161.05998	24.6
163.07613	1.6
165.05498	11.3
165.06796	2.1
169.06459	6.1
171.04391	2.2
171.08057	21.3
173.05998	100.0
173.09639	4.1
175.03929	1.6
175.07570	23.9
177.05453	3.9
181.06485	16.8
183.07991	3.1
185.05998	21.1
187.07533	9.4
189.05484	15.0
189.09103	1.8
191.07059	3.6
197.05942	6.7
199.07568	48.1
201.05508	4.6
201.09189	2.3
203.07083	12.3
205.03488	2.0
209.06010	3.0
215.07066	5.9
217.08618	25.5
217.12201	1.5
221.08057	2.7
223.02686	4.5
227.07062	19.1
232.07941	1.7
233.08049	7.0
245.07840	10.4
245.11855	3.2
263.06140	2.8
263.09213	12.7
263.11874	1.6
263.12808	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0916
Annotation	3,4-Dihydro-1,2-secomicrominutinin
Peak:m/z	Relative Intensity
53.03950	3.2
55.01879	17.8
57.03432	4.6
67.05498	4.3
68.33950	3.4
68.99800	4.4
69.03425	15.9
70.06589	9.2
70.38814	9.4
70.39188	5.7
71.01360	6.1
73.02914	7.5
79.05521	3.9
81.03401	9.0
84.07089	2.7
85.02918	6.4
87.04467	9.3
88.22189	3.1
91.05480	22.4
93.07067	3.2
95.04979	21.8
95.08604	4.3
96.32426	2.9
99.04454	17.5
103.03951	10.5
103.05486	11.2
105.03402	3.4
105.07038	23.9
107.04968	76.4
115.05457	11.6
117.07026	12.4
119.04948	38.1
119.08601	6.0
121.02876	27.7
121.06504	20.7
123.04437	91.8
128.06253	14.9
129.07043	9.1
131.04941	44.7
133.05597	2.5
133.06500	70.0
135.04393	4.5
135.08150	3.3
141.07047	5.9
143.08595	7.8
145.06493	70.9
147.04417	100.0
147.08026	17.7
149.05974	21.9
149.83257	2.8
151.03922	3.3
152.06223	6.3
153.07025	11.5
155.06049	7.7
157.06500	62.2
159.04460	17.2
159.08046	8.1
161.05991	50.0
165.05505	28.9
169.06471	8.0
171.04376	7.0
171.08054	42.0
173.06000	74.2
175.03906	5.7
175.07556	22.3
177.05495	22.0
181.06462	21.6
183.08070	3.4
185.05971	43.6
187.07544	7.7
189.05533	15.9
189.09090	4.3
191.07068	11.4
197.06090	4.4
199.03867	4.6
199.07535	55.4
199.98555	3.6
201.05458	12.5
203.07076	35.7
214.28326	3.3
217.04968	5.5
217.08504	57.2
221.82335	2.9
227.07040	38.5
245.07973	24.4
245.11821	4.0
263.05466	15.6
263.09241	18.3
263.13379	3.4
277.87521	3.0
281.06146	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	263.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.5
55.01659	0.6
55.01883	6.5
55.05527	0.9
56.96577	0.6
57.03435	1.5
57.07070	0.9
59.04998	2.1
59.10979	0.6
62.38346	0.5
67.05503	1.3
68.05018	2.1
68.99783	2.8
69.03414	2.3
70.06587	1.1
70.88393	1.4
71.04987	2.9
77.03880	0.7
79.05490	1.4
81.03024	0.8
81.03426	7.3
81.07077	1.3
83.04988	1.3
85.02928	3.0
86.06070	0.9
87.04462	0.7
91.05465	4.8
93.07066	3.4
95.04980	19.6
95.08601	1.4
97.02914	1.0
97.06550	1.0
99.04462	21.7
103.05465	3.4
105.07029	6.0
107.04967	8.8
107.08615	1.5
109.02891	1.1
111.04458	1.0
114.05528	2.3
115.03941	4.1
115.05442	3.0
116.07078	1.4
117.05700	0.8
117.07014	1.5
118.06550	6.1
119.04967	5.4
119.08591	2.3
120.08121	0.7
121.02889	5.5
121.06514	14.0
121.10131	1.1
123.04438	100.0
125.02345	0.9
128.06229	2.7
129.07047	2.5
130.06493	1.5
131.04938	3.9
131.08600	1.3
132.06595	5.3
132.08104	15.5
133.02864	1.2
133.06499	12.3
133.07445	1.1
133.10173	0.9
136.07660	0.8
137.02342	1.1
137.05991	1.8
138.10274	0.6
141.07019	0.9
142.07814	0.6
143.08585	2.2
144.06837	3.0
144.08105	3.7
145.06500	6.4
145.10104	0.9
146.06026	13.7
146.07098	1.2
147.04420	19.8
147.08052	2.9
147.11665	0.6
149.05997	8.1
151.03918	2.6
152.06198	1.0
153.07001	1.7
155.06056	0.7
157.06490	10.0
157.07645	12.4
157.10236	0.7
158.08391	1.6
159.04428	2.6
159.08080	2.2
161.02377	1.1
161.05998	10.1
161.07169	1.6
161.09656	1.1
163.03944	1.7
163.07535	0.9
163.11224	0.9
165.05492	32.2
167.07103	0.8
169.05017	1.5
170.06020	0.6
171.02838	0.9
171.04338	1.5
171.08049	5.0
171.09296	0.8
171.11772	1.1
173.05992	5.3
175.04019	1.1
175.07570	6.5
177.05501	1.6
177.09157	0.7
179.03387	0.8
181.06483	2.9
183.09340	0.8
184.09978	1.7
185.05994	11.0
188.07068	16.0
189.05275	3.6
189.06932	1.0
189.09128	1.0
189.12729	0.8
191.07089	1.4
193.05072	0.8
199.03966	1.5
199.07571	7.1
199.12386	11.9
201.05533	1.3
203.06868	10.2
203.10692	0.7
207.03023	0.8
209.05977	1.0
217.01338	2.5
217.04999	2.1
217.08719	2.4
217.12141	1.2
219.06633	3.0
227.07031	12.2
227.11830	1.9
228.10136	0.8
245.00925	1.3
245.04585	1.3
245.08186	4.5
245.12900	63.9
263.01959	4.7
263.05301	4.1
263.09293	4.0
263.13947	66.1
263.16373	2.9
281.06903	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.4
62.34287	0.5
63.13929	0.5
67.03590	0.5
69.03439	0.9
69.70172	2.9
73.02938	0.7
74.30770	0.5
77.00906	0.6
77.85658	0.4
82.99805	2.7
85.02937	0.7
86.99331	0.5
89.00906	0.9
97.02930	0.9
98.20884	1.0
101.00890	25.1
105.00397	0.8
107.61074	0.5
109.02908	0.6
113.00862	5.9
115.02512	0.7
119.01933	38.1
120.02018	0.6
131.01918	19.7
133.03458	0.7
137.02968	3.3
139.02490	0.5
141.66014	0.4
142.03493	0.7
143.01912	49.5
145.03482	2.1
149.02953	2.1
155.01921	10.2
157.03473	3.3
161.02972	100.0
163.04570	0.7
167.01912	1.3
173.02980	26.6
174.03067	0.6
175.04559	2.0
179.00697	0.5
179.04018	1.6
184.04526	2.0
185.02975	5.3
187.04445	0.9
191.04024	15.9
196.04514	0.5
197.02980	1.4
203.04018	22.6
214.05566	0.7
215.04124	0.7
221.05020	3.8
233.05064	1.2
239.06071	1.7
239.98428	1.4
245.05107	1.2
263.02945	3.2
263.06110	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0167
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	32.5
58.27795	19.1
64.40941	21.4
70.34441	65.1
72.71684	20.0
76.10612	21.4
101.00887	63.0
119.01927	45.3
131.01915	26.3
133.06525	38.0
135.75377	21.0
143.01901	72.7
147.04387	21.5
153.07520	18.4
161.03011	100.0
173.02985	62.5
178.14597	21.5
191.04036	39.6
206.80832	26.7
223.02776	60.6
240.09229	19.3
240.96806	21.6
263.01736	66.7
263.06183	47.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	0.3
57.06826	0.4
57.07084	6.2
60.24681	0.3
67.05511	0.4
70.06597	14.8
70.58701	0.9
71.08635	4.2
74.33226	0.3
81.07042	0.5
83.04954	0.4
84.08126	1.3
86.09702	0.8
88.07637	17.0
93.07042	0.3
100.08861	0.3
102.09187	0.8
102.76272	0.3
105.07027	0.6
106.08684	2.4
114.09184	5.8
118.08659	2.0
129.07112	0.4
130.08629	0.5
131.08598	0.4
132.10214	22.0
147.11598	0.5
148.07539	1.0
148.09651	0.4
150.11272	19.8
174.05544	0.9
186.18547	1.5
189.12801	0.4
200.20146	1.3
216.10246	1.5
218.21150	7.0
239.95776	0.4
244.09721	1.5
249.90460	0.3
262.10867	1.1
262.23795	100.0
263.10162	0.3
263.24164	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65760	3.5
70.05188	10.8
70.05577	7.5
80.31795	3.9
89.88116	3.7
98.20715	5.7
101.00888	25.8
113.00847	9.5
116.64752	4.3
119.01924	42.0
126.71071	4.1
131.01913	18.9
143.01910	52.2
155.01936	12.6
157.03438	7.1
161.02965	100.0
173.03004	34.1
185.03004	7.9
190.11818	4.7
191.04082	19.5
203.03992	25.6
235.99312	3.9
263.01657	17.8
263.06088	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2211
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03930	3.0
55.05514	19.3
57.07068	7.9
60.29308	2.4
67.05503	22.7
69.07071	30.2
71.04983	10.5
71.56640	2.5
71.57027	3.7
77.90051	2.5
79.05488	19.5
81.07053	46.8
83.04973	5.1
83.08620	18.4
83.68642	2.3
84.65883	2.1
85.06546	19.4
91.05480	21.9
93.07041	55.9
95.08606	70.0
97.10165	7.0
98.05848	2.2
99.08090	4.7
105.07035	50.6
107.08599	78.1
109.06526	5.5
109.10149	49.6
111.08031	3.0
113.09644	23.3
117.07027	7.2
119.08582	48.4
121.10145	100.0
121.11029	4.8
121.81013	2.2
123.08056	2.6
123.11722	16.6
128.23239	2.3
131.08575	18.6
133.10133	74.2
135.11707	75.8
139.11174	5.3
140.45044	2.8
143.08540	5.4
145.10115	26.7
147.11696	52.0
149.13248	23.7
153.44681	2.5
157.10168	5.3
159.11703	32.6
161.13272	24.6
161.14491	4.0
163.14790	3.4
165.12859	3.1
172.12466	2.9
173.11827	2.0
173.13266	38.1
175.14828	6.5
177.12807	4.2
177.16344	9.9
187.14807	40.6
191.17947	7.7
201.16373	13.8
203.17952	89.1
205.15971	6.3
206.77716	2.6
243.21089	58.1
243.23601	2.9
261.18738	4.9
261.22147	93.1
268.58826	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	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03955	2.8
55.05518	23.0
57.07077	12.3
67.05508	23.1
69.07072	29.8
69.27647	11.0
69.28075	9.8
70.06589	6.8
71.04980	8.5
79.05495	21.2
81.06639	3.8
81.07069	40.1
83.04964	3.5
83.08620	21.8
84.34164	2.4
85.06540	22.6
88.07635	7.8
91.05479	24.7
91.52260	2.1
93.06466	4.8
93.07050	61.8
95.04974	4.2
95.08612	69.0
97.06478	3.1
97.10157	10.3
98.20702	4.0
99.08089	6.8
101.50469	2.4
103.05400	4.3
105.07029	51.2
106.08658	3.7
107.04990	2.6
107.08597	70.5
109.06451	2.8
109.10162	51.1
113.09661	24.0
117.07022	7.1
119.07790	4.3
119.08586	54.7
121.10150	100.0
123.11708	19.6
123.39337	2.5
125.09663	2.8
129.06927	2.6
131.08571	12.7
132.95795	2.6
133.10138	82.2
135.08067	2.5
135.11699	74.2
139.11217	4.7
139.19653	2.6
143.08524	4.2
144.70833	2.6
145.10144	27.6
147.11699	49.6
149.13269	23.1
151.11194	3.7
153.35548	2.3
157.10156	3.0
158.10945	2.6
159.11711	31.0
161.13257	27.6
163.11081	2.7
163.14821	4.5
172.12556	2.7
173.13275	45.7
175.14818	9.7
177.16368	10.6
179.14337	4.0
187.14827	43.9
191.17995	4.8
201.16365	15.0
201.90120	2.5
203.17966	87.2
205.15871	7.0
215.10776	4.5
215.17989	4.0
243.21109	65.4
261.10950	2.8
261.22134	95.0
261.26166	50.2
262.23911	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	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02391	1.6
53.03940	5.2
53.07901	1.3
55.05513	16.2
55.25256	1.1
57.03429	1.5
57.07066	4.7
57.18885	1.1
67.05508	42.0
69.03403	1.5
69.07068	14.3
71.04976	3.0
79.05495	58.6
81.03395	1.2
81.07059	47.7
83.04986	1.6
83.08612	8.8
85.06528	2.7
91.05484	34.2
93.07044	80.0
95.04969	5.1
95.08609	42.7
95.82123	1.5
97.06504	3.6
97.10193	2.5
99.08060	2.2
105.06384	1.7
105.07046	23.6
107.08597	46.0
109.06520	2.6
109.10158	19.4
111.08112	3.1
117.07004	6.8
119.08576	17.3
121.10147	45.6
121.11031	2.3
123.08106	1.3
123.11699	5.6
131.03558	1.2
131.08583	14.8
133.10129	14.9
135.08047	1.8
135.11693	35.1
137.13263	1.7
145.10133	14.5
147.11682	12.8
149.13261	27.9
159.11694	10.1
161.13243	10.5
163.14830	20.2
163.56363	1.4
165.12750	1.8
173.13284	11.4
175.14828	4.1
177.16377	3.5
187.14795	6.8
189.16377	2.4
201.16359	2.6
203.17888	1.9
215.17970	2.9
232.54239	1.3
243.18768	2.1
243.21103	27.4
261.04004	1.4
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	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
55.05513	20.5
57.07084	10.9
57.55322	5.1
67.05511	34.1
69.07068	19.7
70.81403	5.8
71.04987	11.9
71.56981	5.9
79.05501	34.8
81.07061	53.0
81.96818	5.6
83.08633	23.1
85.06569	18.1
91.05490	36.8
93.07057	68.8
93.16836	5.6
95.04983	9.4
95.08625	70.5
97.10188	12.1
105.07038	39.9
107.04958	6.9
107.08617	61.0
109.06478	7.4
109.10152	42.9
113.09637	26.1
117.07034	13.8
119.08601	52.0
121.06582	6.8
121.10155	100.0
123.11713	8.5
129.05325	5.8
130.07928	6.1
131.08597	19.4
133.10150	49.5
135.11703	64.9
141.07008	8.0
145.10120	30.3
147.11711	56.0
149.13309	22.0
159.11737	23.1
161.13264	24.4
173.13287	35.7
175.14932	13.1
177.16360	9.0
187.11140	8.1
187.14819	38.0
191.17953	6.9
201.16440	11.4
203.17987	77.9
215.10776	7.0
243.21159	54.6
261.07632	7.3
261.10977	8.0
261.18759	11.3
261.22086	85.3
261.24356	7.2
262.14386	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	261.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.8
53.09595	0.7
55.05512	12.3
57.07078	4.1
65.03931	1.3
67.05509	37.3
68.82004	0.8
69.07070	12.5
69.30906	6.4
71.04998	1.6
77.03914	1.3
79.05497	50.5
81.07061	45.6
83.08622	7.0
85.06525	3.7
85.95554	0.7
91.05482	25.5
93.07050	69.9
95.04961	3.3
95.08612	32.8
95.09235	1.0
97.06537	2.7
97.10161	2.5
98.21432	1.7
99.08100	3.9
105.04528	1.2
105.07037	18.0
107.08601	45.3
109.06501	1.6
109.10156	13.2
111.08067	2.8
111.11703	0.8
113.09657	1.1
117.07030	4.3
119.08590	15.4
121.10149	40.3
123.08088	1.5
123.11723	3.4
125.09636	1.0
131.08586	14.2
133.10138	11.1
135.11703	32.2
137.09660	1.5
139.11174	1.3
145.10132	13.4
147.11696	9.4
149.13258	26.4
151.11186	1.7
151.14822	1.7
155.43246	0.8
159.11722	9.9
161.13268	10.2
163.11325	0.9
163.14822	18.9
163.16098	1.5
165.12750	1.6
173.13266	11.2
175.14838	3.9
177.16463	4.5
179.14278	2.3
187.14827	7.4
191.14351	0.9
198.41335	0.8
201.16370	3.0
215.18001	1.7
243.21106	27.2
261.22156	100.0
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	Unknow
Peak:m/z	Relative Intensity
51.02399	0.5
53.03951	2.7
55.01875	0.9
55.05513	12.6
57.03430	1.5
57.07080	3.8
58.35511	0.4
59.15243	0.5
65.03935	2.0
67.05508	39.2
69.07073	10.5
69.88184	0.9
69.88572	1.3
71.04982	2.0
71.08617	1.4
77.03905	1.1
79.05497	55.7
80.71726	0.5
81.03421	0.5
81.07061	41.8
83.04990	1.6
83.08627	7.8
85.06548	3.1
85.10148	0.4
91.05486	26.0
93.07050	69.9
95.04980	3.2
95.08612	32.5
97.06536	3.1
97.10176	2.7
99.08105	3.5
105.04517	1.5
105.07040	17.9
107.04940	0.8
107.08599	44.7
109.06528	1.8
109.10159	14.7
111.08085	3.3
112.73671	0.4
113.09648	1.5
117.07019	6.1
119.08587	15.6
121.10150	40.2
123.08074	1.4
123.11716	4.4
125.09618	1.2
127.11235	0.5
129.07013	0.7
130.07797	0.8
130.21396	0.5
131.08577	14.7
133.10138	12.4
135.08090	0.7
135.11702	32.4
137.09639	1.5
137.13248	1.3
139.11182	1.3
145.10130	14.0
147.11690	10.6
147.12788	0.8
149.13268	25.5
151.11166	0.9
151.14853	1.2
153.12779	0.7
159.11711	9.8
161.13263	11.5
163.11215	1.0
163.14822	18.5
165.12764	1.2
173.13268	10.8
175.14838	4.0
177.12798	0.7
177.16391	4.9
179.14365	1.1
187.14838	7.0
189.16399	0.7
201.16380	3.3
205.15909	1.0
215.18015	1.6
217.19524	0.6
219.17430	0.9
233.22629	0.8
243.21098	28.1
261.22156	100.0
262.22388	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02386	0.7
53.03950	2.1
55.01878	0.7
55.05257	0.9
55.05515	13.3
57.03443	1.1
57.07073	3.1
57.55770	0.4
65.01298	0.4
65.03953	1.7
67.05507	38.6
69.07071	10.4
69.33991	3.7
71.05006	2.7
71.08645	1.1
79.05496	51.2
81.03423	0.5
81.07060	42.0
83.04984	1.0
83.08624	6.7
85.06560	3.7
90.66609	0.5
91.05487	23.8
93.07049	71.1
95.04978	3.5
95.08613	30.7
97.06534	3.8
97.10187	2.4
99.08105	3.2
105.04540	0.7
105.07037	17.0
107.08599	43.4
109.06538	1.7
109.10160	12.8
111.08098	2.6
113.09682	1.2
117.07018	6.2
119.06136	0.5
119.08589	15.3
121.10148	42.0
123.08064	1.2
123.11702	3.9
125.09624	1.0
131.08574	12.3
133.10135	12.8
135.08081	0.6
135.11700	33.5
137.09619	1.3
137.13264	1.5
139.11217	0.7
145.10135	13.8
147.11699	10.0
149.09683	0.6
149.13264	27.7
151.11203	0.8
151.14899	1.2
159.11700	9.4
161.13254	11.1
163.11061	0.6
163.14835	17.9
164.70171	0.5
165.12785	0.9
165.16353	0.6
173.13272	10.7
175.14839	4.7
177.16383	4.8
179.14336	1.7
187.14812	7.1
189.16339	0.8
191.14355	0.8
193.16028	0.6
199.31038	0.4
201.16348	2.6
205.15919	0.6
215.18021	1.9
219.17549	1.0
233.22685	0.8
243.21106	26.4
261.22153	100.0
262.22479	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03941	3.2
55.01864	1.0
55.05512	13.4
57.03437	1.4
57.07081	3.5
64.43747	0.4
65.03938	1.4
67.05506	38.6
69.07067	10.1
69.41381	3.6
70.24387	0.4
71.04989	1.7
71.08656	1.0
71.38013	0.4
74.98225	0.4
77.03915	0.7
79.05495	54.2
81.07059	41.2
83.04987	1.0
83.08623	5.9
85.06553	3.0
91.04882	0.7
91.05479	26.7
93.07047	69.8
95.04977	3.3
95.08609	33.5
97.06538	2.5
97.10167	1.9
98.20773	0.9
99.08080	2.7
99.78218	0.5
105.04509	1.3
105.07034	16.3
107.08597	43.9
109.06529	1.4
109.10159	13.6
111.08063	2.8
111.11695	0.7
113.09660	0.8
115.88576	0.6
117.07033	6.7
118.54236	0.4
119.08580	14.0
119.76641	0.5
121.10145	38.5
123.08078	1.5
123.11716	4.1
125.09634	1.2
130.07861	0.6
131.08565	11.8
133.10132	12.3
135.11694	33.1
137.09615	1.6
137.13248	1.6
139.11188	1.2
145.10123	13.1
147.11700	10.4
149.09619	1.0
149.13260	26.6
151.11247	1.0
151.14862	1.0
153.12708	0.8
158.35326	0.4
159.11690	10.1
161.13264	11.8
163.11159	0.5
163.14830	17.0
165.12767	0.9
173.13271	9.5
175.14822	4.7
177.16388	4.8
179.14307	1.7
187.14818	5.8
189.16376	1.0
191.14268	0.6
201.16356	3.2
203.17982	1.0
205.15883	0.7
215.17941	1.8
217.19481	0.5
219.17473	0.6
233.22556	0.8
243.18454	0.5
243.21089	30.7
261.22144	100.0
262.22424	0.9
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
52.56476	2.4
53.03949	3.7
55.05518	26.6
56.05055	11.8
57.07082	13.1
58.06592	8.4
60.04553	1.9
60.70439	1.9
67.05508	19.7
69.03432	6.5
69.07084	20.8
70.20155	4.8
70.20547	3.7
71.05010	2.5
71.08624	4.0
74.06087	9.2
79.05489	15.2
81.03400	2.3
81.07068	48.2
83.05009	4.6
83.08643	14.0
85.06557	28.3
85.10167	2.8
88.07153	3.7
88.07640	40.5
91.05486	14.7
93.07056	33.6
95.04972	5.7
95.08617	60.0
97.10172	3.4
99.08092	7.0
105.07024	28.7
107.08608	50.5
109.06512	3.6
109.10174	28.7
111.08101	3.0
113.09660	7.5
115.05356	2.8
117.07013	8.2
118.08682	6.0
119.08593	24.9
121.06522	5.5
121.10159	60.6
122.08147	5.3
123.04453	5.9
123.11726	65.5
125.09635	13.6
131.08575	15.9
132.95872	2.4
133.10139	30.8
135.11690	26.6
139.11180	7.1
143.08609	4.2
145.10117	25.5
147.11693	23.9
149.09685	4.1
149.13274	20.2
151.03880	4.0
151.11176	2.7
159.11720	18.7
161.13258	15.3
163.14847	2.7
165.12698	2.7
169.10141	3.3
171.11684	2.5
173.13347	15.6
174.96938	2.4
175.14890	4.9
187.14836	22.0
191.14207	2.8
191.17914	2.2
201.12790	2.6
201.16428	10.5
201.75221	2.3
203.17947	30.1
205.15837	4.5
214.21684	38.6
215.10742	8.6
215.17941	3.7
243.21111	26.7
261.03912	2.9
261.18579	11.6
261.22162	59.8
261.25253	6.8
262.23816	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.076
Annotation	2-Methoxy-6-acetyl-7-methyljuglone
Peak:m/z	Relative Intensity
53.00311	3.2
54.88833	2.5
55.01882	19.0
55.69296	2.5
56.96555	7.4
65.03925	2.9
65.17443	2.4
70.15991	12.7
70.95876	2.9
71.01346	4.2
71.63596	2.3
73.02909	10.1
76.39175	2.7
79.05485	3.1
85.02892	6.2
91.05495	26.6
95.01328	25.2
97.02916	3.4
103.05451	7.4
105.07034	21.6
107.04954	10.2
109.07750	3.2
111.04471	3.6
115.03958	6.0
115.05449	21.5
117.07035	18.5
118.06574	12.3
119.04959	44.5
120.38319	2.6
121.02888	35.4
123.04432	8.3
128.06247	6.5
128.94159	2.6
129.06966	6.0
130.06494	3.9
131.04945	22.6
131.08559	8.3
132.08073	8.3
133.06500	79.2
135.04486	4.2
141.06989	22.0
143.04904	4.4
143.08580	2.8
144.05687	8.8
144.08054	5.6
145.06499	84.8
146.06039	27.9
146.93011	2.7
147.04419	84.5
147.08055	3.6
149.06044	3.2
151.03867	7.8
152.06197	3.3
153.07065	4.9
155.04947	3.8
155.06073	10.7
157.06505	24.7
158.06024	3.3
158.08350	3.1
158.99683	3.4
159.04462	8.0
159.08105	21.2
161.06010	32.3
163.03903	9.2
169.06459	27.0
169.07622	2.9
171.04391	41.6
171.05606	4.4
171.07983	12.3
173.02425	5.7
173.06001	85.9
175.03960	32.3
175.07504	3.2
177.05513	3.5
181.06480	8.0
183.04367	3.5
184.05205	8.8
185.05995	16.7
187.03957	3.9
187.07529	25.9
188.07080	38.8
189.05486	21.6
191.06934	3.3
193.04977	4.6
197.06004	100.0
199.07602	16.5
201.05475	53.9
205.09772	3.3
215.07054	94.2
217.04955	2.9
218.97452	3.0
219.06564	58.9
225.05469	6.2
225.71942	3.0
231.06465	7.1
233.06593	3.9
239.02277	10.9
243.06572	34.7
257.03448	5.4
260.98398	3.0
261.03732	3.8
261.07791	54.9
261.12335	31.6
279.07217	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.5
55.93516	0.4
56.96568	40.2
61.02917	0.5
67.61466	0.3
69.03429	0.8
70.03156	1.2
70.98116	0.4
71.04990	0.5
71.95267	0.3
73.02914	0.7
74.97629	1.0
76.85252	0.3
79.05499	2.0
81.03419	0.4
84.96033	1.1
85.02903	1.4
91.05476	1.5
95.04977	0.8
97.02900	1.4
98.97595	5.2
98.98477	0.7
99.04482	0.6
101.00330	0.3
101.00884	1.8
103.00616	0.3
103.05471	1.9
105.07037	28.3
107.04946	1.0
109.02850	0.4
110.97582	1.4
115.05458	5.2
116.98627	3.2
119.01927	10.5
119.04923	2.2
119.05643	0.3
121.01730	0.4
123.04464	0.8
128.98605	1.5
129.02180	0.4
131.00237	0.5
131.01938	0.6
131.04939	0.9
132.98123	0.3
133.06496	90.2
134.06877	0.9
134.99657	1.5
137.02953	3.7
137.06006	0.9
140.98589	1.0
143.00171	0.9
143.01866	0.4
143.04922	1.4
145.01759	0.4
145.04994	0.4
145.06490	0.4
146.99666	1.0
147.03351	0.3
147.04448	1.4
150.99164	1.4
151.00604	0.4
155.00195	0.5
157.03532	0.4
158.99678	1.8
159.04436	0.4
159.08080	0.4
161.01228	1.5
161.03070	0.6
161.04651	0.8
161.05983	15.5
163.00679	0.5
163.03906	0.5
169.01674	1.5
169.06439	0.5
170.99672	1.2
171.04243	0.4
171.05617	3.0
173.01260	0.8
173.02792	0.4
173.04677	0.5
173.06018	0.8
175.00653	0.6
175.04558	0.4
176.76511	0.3
177.00751	1.9
177.02284	0.9
177.03946	0.3
179.00136	0.6
179.02347	0.4
181.01727	1.3
181.03407	0.5
182.99675	0.5
183.03276	0.6
183.04977	0.3
185.00949	1.4
187.02802	1.1
187.07487	0.4
189.00722	1.2
191.00195	3.0
191.02121	0.6
191.05530	2.8
193.01750	2.1
193.03587	1.0
195.01614	0.6
195.03333	7.3
195.05019	0.8
197.01254	1.3
197.06020	1.2
199.02841	0.3
199.07678	0.4
200.00114	0.4
201.00719	1.5
201.02466	0.8
201.03995	0.4
201.05606	0.5
203.00177	2.0
203.01967	3.8
205.03609	0.6
206.04248	1.0
206.99753	0.4
207.01643	0.4
207.05063	0.7
208.05307	0.9
209.01254	4.6
209.03091	0.6
209.06602	3.2
211.02864	1.6
211.04510	0.5
213.04341	10.7
215.07091	0.9
218.04378	0.7
218.99669	1.0
219.01775	2.9
219.05034	4.5
220.05109	0.5
221.01201	8.4
221.02983	100.0
222.03151	2.0
223.02930	0.5
224.05328	0.8
225.06032	1.0
226.06337	1.4
230.91307	0.3
231.05402	1.1
233.03070	0.6
233.06598	9.8
235.04602	1.6
236.05667	0.4
236.98386	0.5
237.00742	6.1
237.02899	2.8
237.06079	3.0
238.01155	0.5
238.04149	0.3
238.06265	2.0
239.02283	38.1
239.04126	9.4
243.06891	0.5
244.04662	2.7
249.06081	0.5
251.07719	2.6
253.03845	1.0
253.07712	0.5
255.01738	1.8
255.07483	0.4
256.02188	0.9
256.07208	0.7
257.03326	21.9
261.02621	5.7
261.06116	22.8
262.03784	1.5
271.04996	0.5
274.03128	0.8
279.01480	3.7
279.03766	6.9
279.07031	28.3
280.07083	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0585
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96576	12.6
57.03441	1.6
60.95850	1.1
67.95559	1.1
69.62172	8.0
73.84592	1.1
78.86892	1.2
84.96025	1.6
85.02911	1.9
91.75475	1.1
93.10704	1.0
97.02834	1.3
98.21273	3.9
98.97594	40.4
99.97919	1.7
101.00893	10.9
102.96857	4.0
103.00650	2.2
103.02455	2.3
105.07021	2.2
107.00896	1.1
108.27924	1.3
110.97594	2.3
113.00877	1.1
115.02433	4.6
115.05508	1.2
116.98639	19.6
119.01943	21.9
120.97968	3.0
121.01682	3.1
128.98599	2.3
129.03966	1.9
131.00162	1.2
131.01880	5.0
133.03487	10.3
133.06480	6.3
134.99657	5.4
135.03195	1.2
137.02957	2.3
143.00114	1.4
143.01891	3.7
145.03482	1.8
147.03278	1.3
147.04422	1.4
151.04439	2.5
158.99835	3.5
161.02943	6.0
163.02731	1.4
170.99710	1.9
171.02643	2.1
173.02881	2.7
176.97282	1.7
177.00964	19.4
177.02435	1.7
178.00919	1.4
180.22833	1.3
187.00960	2.4
189.00856	1.5
189.02463	1.6
191.02390	1.4
191.04041	3.8
201.00787	3.0
201.02316	2.1
201.03909	2.9
203.01909	1.7
215.00349	4.5
217.04111	3.0
219.01945	25.3
219.03876	1.8
221.02975	17.4
221.04961	1.5
225.00917	1.6
229.03291	23.5
237.02803	4.7
239.04280	2.0
243.02040	10.4
243.04773	3.3
260.99734	8.9
261.03058	100.0
261.05844	59.8
262.03107	3.0
278.96826	3.9
279.00647	12.9
279.03671	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	261.031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65933	0.5
50.69701	0.5
56.96568	16.3
60.95855	0.8
62.51556	0.5
63.33584	0.5
68.88393	0.5
69.96049	2.3
71.95256	1.4
73.02891	0.8
74.97604	0.6
79.05481	1.3
84.08165	0.6
84.96034	1.5
85.02903	1.2
86.09702	0.6
90.94733	0.5
91.05455	0.8
93.42531	0.6
97.02882	0.8
98.21388	0.9
98.97585	35.8
99.97916	0.6
101.00887	5.7
102.96870	5.4
103.00620	0.8
105.06371	1.0
105.07030	12.2
107.04931	0.8
110.97562	2.1
112.99155	1.2
115.02415	1.9
115.05457	2.0
116.98622	22.5
119.01925	14.8
119.02631	0.3
119.02781	0.5
119.04908	0.9
120.97879	3.2
121.01662	2.2
128.98616	1.4
129.03975	0.9
131.00179	1.1
131.01868	1.7
133.03537	2.8
133.06491	38.7
134.99655	7.0
137.02933	3.3
138.22691	0.5
138.98970	1.2
139.02583	0.7
140.98640	1.0
143.00195	1.8
143.01855	0.7
145.03477	0.7
146.99622	1.2
147.03282	0.6
147.04352	0.8
153.00711	0.7
157.03447	0.6
158.99731	3.4
161.01186	1.9
161.02959	1.9
161.05971	6.0
169.01166	0.5
170.99680	2.1
171.01379	1.2
171.05473	1.5
173.01228	1.0
173.03018	0.9
176.97430	1.0
177.00931	14.6
182.99777	1.2
185.00917	1.0
187.00970	0.6
189.00729	2.6
191.02283	1.5
191.03963	0.7
191.05562	1.3
193.01785	0.7
193.03481	1.1
194.94739	1.0
194.98369	0.7
195.03304	1.1
195.04973	1.2
197.02908	0.7
201.00751	4.1
201.02507	1.7
201.04060	0.8
203.01907	5.1
206.04280	0.6
207.01913	0.6
207.05011	1.0
209.06635	0.8
211.02608	0.6
213.04283	0.9
217.04091	2.1
217.59328	0.6
218.99828	0.6
219.01923	19.8
219.05148	1.8
219.08838	0.6
221.02957	100.0
222.03148	2.2
225.00961	1.9
225.06004	0.7
226.06310	0.6
229.03203	2.4
233.06653	5.0
235.04613	1.4
237.00609	2.0
237.02846	3.7
237.06039	1.5
238.05965	0.8
238.98508	0.7
239.02138	5.2
239.04048	13.0
242.98415	0.6
242.99179	0.6
243.01997	9.3
243.04613	1.5
244.04578	2.0
247.02994	0.5
251.07703	1.0
257.03088	3.2
260.99667	11.3
261.03021	88.7
261.05896	28.6
262.03290	3.0
262.05740	1.0
275.04486	0.9
278.96841	6.9
279.00653	12.7
279.03564	9.0
279.07114	12.8
280.06906	0.7
284.04660	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0309
Annotation	Ifosfamide
Peak:m/z	Relative Intensity
56.96558	0.5
68.35350	0.1
70.63065	0.1
82.99885	0.2
98.96999	0.2
98.97588	2.4
101.00889	2.3
101.46810	0.1
105.07017	0.3
116.98634	2.0
119.01930	9.1
120.02052	0.5
121.01624	0.2
122.97919	0.1
133.06544	0.8
134.99693	1.4
137.02959	1.9
138.03104	0.2
140.98833	0.2
142.03487	0.2
142.36746	0.1
153.00810	0.4
158.99890	1.1
161.02896	0.3
165.99689	0.3
173.02867	0.2
175.02939	0.3
177.00967	15.5
178.01077	0.5
182.99948	0.3
191.02446	0.2
193.04085	0.3
195.02019	0.2
196.69156	0.2
199.03075	0.1
200.02681	0.3
201.00948	1.4
203.94987	0.1
211.01758	0.1
215.10687	0.1
217.04106	2.9
217.06102	0.2
219.02025	21.0
220.02184	0.8
220.04376	0.1
221.01587	0.2
221.02939	0.4
224.00291	0.1
225.00867	2.3
233.03517	0.3
234.00652	0.2
236.98802	0.2
237.03036	0.2
237.98785	2.2
238.98488	0.6
242.03610	0.4
243.02016	10.4
244.02242	0.3
260.04822	0.1
261.03076	100.0
262.03207	2.9
263.03482	0.5
266.03702	0.3
275.04648	1.7
279.00681	1.6
279.03885	0.2
279.07382	0.2
284.04681	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	259.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	66.8
57.07078	36.8
66.75024	2.6
69.07076	100.0
70.81651	3.1
70.81995	6.1
71.08639	22.6
72.50035	2.8
75.55830	3.0
81.07039	5.6
83.08625	76.9
85.10194	9.3
95.08687	3.2
97.10181	65.3
111.11734	31.8
125.13259	9.2
130.65277	2.9
147.84996	2.9
236.33769	2.6
255.34355	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	260.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.3
53.03943	0.6
55.01868	0.5
56.05035	2.6
57.82994	0.3
59.97413	0.3
60.04527	9.1
61.02936	0.7
62.37148	0.3
68.05034	3.8
69.03434	5.1
70.70129	1.0
71.05010	0.4
73.02919	0.7
81.03426	0.7
82.06578	0.4
83.05013	0.4
84.04504	6.1
85.02914	1.1
86.06066	1.4
87.00828	4.0
87.04459	0.7
91.03947	1.3
96.04501	7.6
97.02897	100.0
97.83320	0.3
98.03261	0.3
98.06055	0.9
99.04446	1.3
105.01874	1.1
110.06036	1.0
111.04479	0.6
114.05534	7.3
115.03932	1.0
138.05511	29.8
139.03906	0.7
156.06575	1.3
157.04976	1.4
159.02950	0.5
174.07639	1.1
179.30867	0.4
201.03908	1.5
216.08669	3.4
218.06583	0.8
229.05484	0.4
242.06660	0.4
260.07675	71.2
261.08008	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2058
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
51.82994	1.0
55.05518	8.7
57.07067	4.4
67.05508	12.6
67.86696	1.0
69.06783	1.4
69.07082	15.7
69.67986	6.6
71.05000	5.9
79.05488	10.3
81.07058	15.7
83.08615	5.7
85.06548	22.7
88.53712	1.0
91.05494	9.8
93.07053	17.4
93.30462	1.1
95.04966	2.4
95.08607	25.7
97.06538	10.1
97.10173	1.1
99.08071	2.2
103.05440	1.3
105.06372	1.9
105.07035	21.7
107.08594	17.9
109.10162	12.5
113.09660	1.6
115.05479	2.3
117.07035	9.9
119.08588	36.1
121.10149	10.5
123.11715	2.5
128.06209	2.0
129.07008	4.2
130.07768	3.5
131.08582	21.2
133.10138	37.3
135.04427	1.3
135.11723	6.3
142.07774	2.1
143.08586	9.7
144.09326	3.4
145.02872	1.3
145.10135	40.7
147.11694	15.2
149.09555	1.2
149.13274	1.9
151.11208	2.3
156.09328	4.3
157.10149	12.0
158.10913	3.2
159.11705	42.5
161.09547	1.3
161.13319	3.8
163.03914	5.1
163.11113	1.8
169.10072	1.4
170.10880	4.7
170.12181	1.1
171.11707	19.9
172.12433	2.3
173.02368	4.2
173.13286	19.9
175.11226	2.4
175.14836	8.8
185.13264	23.5
185.14850	1.7
186.14026	2.5
189.12692	1.6
189.16394	5.9
199.14815	9.1
201.16391	100.0
203.14314	3.8
203.17986	1.3
215.07091	3.6
226.16902	1.2
231.06390	1.4
241.19545	21.3
259.05972	1.4
259.09653	4.3
259.13498	3.0
259.14621	1.6
259.17261	2.6
259.20593	62.9
259.24057	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	259.2058
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03936	1.4
53.16137	1.0
53.32936	1.1
55.01863	1.9
55.05516	11.3
57.03411	1.3
57.07066	4.2
67.05510	15.9
69.03433	8.2
69.07070	10.2
70.69846	1.2
70.70187	2.4
71.04993	2.7
79.05504	10.7
79.34718	1.1
81.07064	16.3
83.04961	5.3
83.08604	2.7
85.06067	2.3
85.06544	31.1
89.03934	2.4
91.05478	9.6
93.07048	11.4
95.04958	6.5
95.08613	24.9
97.06533	17.9
99.08092	33.7
103.05479	1.7
105.07035	25.1
107.08591	16.4
107.15296	1.3
109.06490	7.2
109.10178	11.8
111.08076	1.5
113.09658	1.8
116.26357	1.2
117.03356	1.1
117.07009	5.9
117.34576	1.1
119.07791	2.4
119.08585	32.8
121.10146	41.7
123.08073	5.2
123.11703	5.2
125.09617	8.0
128.06250	1.4
129.07007	2.7
131.08582	9.6
133.06470	2.1
133.10132	30.7
134.10873	1.3
135.04375	3.0
135.08034	2.0
135.11694	2.9
137.09631	3.2
139.11176	7.0
142.07788	3.5
143.08556	7.3
144.09367	1.9
145.10120	17.2
147.08040	3.9
147.11691	25.4
151.11168	4.3
156.09354	4.0
157.10138	13.5
158.10818	1.3
159.11687	20.3
161.09641	6.8
161.13293	5.7
163.03912	12.2
163.11156	1.9
165.12738	8.7
170.10831	5.9
171.11700	10.9
173.02315	4.6
173.09557	2.0
173.13252	6.6
174.10393	1.4
175.11192	8.4
175.14850	6.8
177.12871	1.4
179.14282	9.0
185.13274	16.6
187.14720	1.4
189.12698	4.2
189.16397	2.6
190.13533	3.3
199.14816	11.3
201.16393	38.0
203.14305	9.4
213.16347	1.6
215.07021	3.2
217.04985	1.5
217.15897	3.6
241.19542	12.5
259.09683	3.6
259.20578	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2059
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03958	5.6
54.89093	2.2
55.01871	8.3
55.05516	25.7
57.03433	7.0
57.07066	7.7
57.93558	3.5
61.02924	4.7
65.03946	3.1
67.05509	34.7
69.03426	9.7
69.07072	22.6
69.57346	2.2
70.31198	9.1
71.04996	5.4
72.93776	4.7
73.02935	2.6
77.55965	2.2
79.05491	36.4
79.05917	4.1
81.03423	4.6
81.07063	46.1
83.04978	10.2
83.08616	11.3
85.02901	7.2
85.06547	36.7
91.03956	6.2
91.05492	33.5
93.07051	44.4
95.04977	14.4
95.08617	40.1
97.02881	12.0
97.06550	16.9
98.73061	2.4
99.08090	26.4
102.96944	5.3
104.98514	2.3
105.07039	40.0
106.96380	3.5
107.08610	32.4
109.06516	11.4
109.10165	16.8
111.08059	3.1
115.05476	4.9
116.45069	2.1
116.98505	3.7
117.06989	13.7
119.05009	2.6
119.08594	48.9
121.06531	3.6
121.10152	40.9
123.08077	9.0
123.11723	8.2
125.09678	6.0
128.06238	3.6
129.07018	10.3
131.08620	18.7
132.95824	2.4
133.06548	4.8
133.10147	43.1
134.95807	2.9
135.08025	3.9
135.11696	27.1
137.05981	11.7
137.09613	5.7
137.13280	2.9
139.11168	7.7
142.07817	4.7
143.00122	3.6
143.08556	13.8
144.08069	2.7
145.10139	25.5
147.08093	4.2
147.11697	30.2
149.09637	3.2
149.13344	5.8
151.07539	3.5
151.11201	2.6
155.08621	2.2
156.09415	6.5
157.10136	15.9
158.97388	3.5
159.11720	21.0
159.96709	3.4
160.97478	5.8
161.09662	7.9
161.13289	14.3
163.03941	8.7
164.98434	4.2
165.12749	7.6
166.98503	6.3
169.10141	4.1
170.10942	5.1
171.11708	30.3
173.02284	2.8
173.09714	2.3
173.13239	12.7
175.11230	8.0
175.14885	9.6
176.96924	2.8
178.98456	4.7
179.14326	8.1
185.13248	23.7
187.14864	3.3
189.00606	3.2
189.12706	4.1
189.16461	3.1
190.13539	2.5
197.13260	2.5
199.14876	17.4
201.16486	44.5
203.10693	2.5
203.14365	9.6
207.13824	4.6
213.12662	2.8
213.16309	4.3
215.07034	5.6
217.15916	7.0
236.99049	3.4
241.15979	11.8
241.19621	18.2
244.12427	2.8
259.05957	2.8
259.09842	4.9
259.14435	5.5
259.16998	17.4
259.20593	100.0
259.24005	4.3
281.17404	4.7
282.17599	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	259.2058
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05495	8.7
57.07071	2.6
63.77773	1.7
66.92685	1.7
67.05491	7.6
69.07080	28.2
69.30085	18.3
71.04993	18.1
79.05480	7.0
79.99326	1.8
81.07078	16.1
82.93273	1.7
83.04974	5.5
83.08616	5.2
85.06546	19.4
91.05466	8.2
93.07058	12.3
95.08616	18.3
97.06518	4.2
99.08083	2.3
105.07034	24.2
107.08609	17.7
109.06536	6.7
109.10139	13.6
111.08080	8.3
117.07022	7.4
119.08593	52.2
121.10172	13.5
123.08048	3.4
123.11729	18.0
129.06979	2.3
130.07782	2.6
131.08594	10.9
133.10150	28.0
135.08101	10.1
135.11742	5.4
137.09636	2.4
142.07787	2.8
143.08556	7.3
144.09361	3.8
145.10139	27.0
147.11694	18.2
149.09648	2.7
151.11212	2.7
156.09349	2.9
157.10153	11.9
159.11688	26.6
161.13286	30.7
170.10950	3.3
171.11684	13.1
172.75038	1.8
173.13280	8.8
175.11229	4.3
175.14851	84.0
176.15590	5.6
177.12732	2.8
177.16367	3.8
185.13315	15.8
189.12770	3.5
189.16425	3.9
190.13380	2.2
199.14842	4.3
201.16362	23.0
203.14381	6.8
215.17973	4.3
217.19498	2.3
241.19568	20.1
244.12404	3.0
259.14771	3.1
259.20596	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08317	0.2
65.03925	0.2
70.96989	0.6
79.05505	0.3
91.05482	2.5
93.07025	0.2
97.06538	0.4
105.07053	0.3
116.04977	0.9
117.05811	0.2
118.05297	0.4
118.06531	1.1
119.04960	0.3
121.10040	0.2
121.23489	0.2
128.04964	0.4
129.07025	0.6
131.06084	0.3
133.06529	1.0
133.07626	3.7
134.06033	0.8
139.03941	2.5
143.06053	0.6
145.06558	0.3
145.07634	0.6
146.04968	0.2
146.06036	3.0
157.06502	0.3
157.10233	0.3
158.07153	2.8
160.08723	3.5
161.07115	9.2
163.03870	0.3
170.07132	1.4
171.05559	0.5
171.88608	0.2
173.05876	3.6
173.07275	0.4
174.06598	0.2
175.07561	0.3
185.09590	0.3
186.06633	6.0
187.05040	0.5
188.08205	40.5
189.08685	0.2
190.09692	1.1
198.06645	0.8
203.06799	0.3
206.09247	0.7
213.07742	0.5
214.06128	13.7
215.09244	0.4
216.05600	0.4
216.07680	6.1
232.07193	20.8
234.08775	3.3
241.07245	0.8
242.05565	0.6
259.08273	100.0
260.06342	1.7
260.08716	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.7
55.05493	0.4
67.05507	0.6
69.03429	0.4
69.07082	0.5
71.27150	0.5
73.56714	0.4
79.05505	0.8
81.07050	1.0
91.05485	1.8
93.07072	0.4
95.04939	0.7
95.08607	0.5
97.02914	0.5
97.06542	0.9
105.07007	0.9
107.08604	0.5
109.06495	0.4
109.10181	0.5
110.61420	0.3
113.34318	0.4
113.95226	0.4
116.05000	0.8
118.06544	1.2
119.04915	0.5
121.10186	0.5
128.68004	0.4
129.06992	0.7
131.08580	0.7
133.07602	3.9
133.10167	0.5
134.06061	0.8
135.07977	0.4
137.09496	0.4
141.06964	0.7
143.05016	0.4
143.06027	0.6
145.06526	0.4
145.07582	0.6
145.10112	0.6
146.06038	3.4
149.02368	0.5
157.06523	0.6
158.07162	3.0
159.11719	0.4
160.08720	3.2
161.07121	9.9
163.03922	0.6
169.06494	1.2
169.10066	0.6
170.07156	1.5
171.05602	0.5
171.08116	0.4
171.11676	0.4
173.05864	4.2
173.07176	0.6
185.06020	0.5
185.09625	0.4
186.06644	4.1
187.07515	0.4
188.08208	45.7
189.08588	0.5
190.09743	1.3
197.05949	1.0
198.06671	1.2
199.14854	0.5
200.04634	0.8
203.06885	0.4
206.09239	0.8
213.05530	0.5
213.07462	0.6
214.06148	11.1
215.07230	1.7
215.09035	0.6
216.07700	5.4
231.06511	0.6
232.07198	20.9
234.08754	4.6
241.08577	0.4
241.13306	0.6
259.08276	100.0
259.20654	0.9
260.06641	1.3
260.08917	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0602
Annotation	Alternariol
Peak:m/z	Relative Intensity
55.01884	5.0
68.99783	1.7
69.03426	1.2
69.59386	3.1
69.59797	3.5
74.02143	0.9
79.05499	1.4
81.03400	1.3
89.03916	4.9
91.05467	3.3
93.07046	0.8
95.01341	17.4
98.20788	2.2
101.10001	1.0
105.07025	2.2
107.04895	1.4
115.05470	14.0
117.03367	4.1
119.04952	1.2
121.02864	1.3
125.00991	1.2
128.06215	5.1
129.07013	15.5
131.04919	1.5
133.06479	3.6
135.04424	23.2
136.32880	1.0
139.05412	10.6
141.07004	16.6
143.04938	10.1
143.67418	1.0
145.02724	1.6
145.06500	1.6
147.04402	4.8
147.08086	0.9
157.06494	21.3
159.04370	1.3
159.07999	1.3
160.05219	2.4
161.05983	36.8
163.03914	18.2
167.04967	6.0
167.40868	0.9
168.05682	1.2
169.06502	11.4
171.04416	8.2
173.06015	4.2
175.03943	3.3
175.07579	7.8
185.04442	1.7
185.05995	27.7
186.06781	1.5
187.03923	3.9
187.07527	6.8
189.05472	26.6
191.03398	4.3
195.04454	5.3
197.05959	6.8
199.03876	3.5
200.04684	11.0
201.05469	2.9
203.07051	11.6
209.04559	2.0
213.05486	100.0
214.05919	1.4
215.03539	2.5
215.07030	13.6
217.04980	20.0
223.03880	2.6
231.06534	63.9
232.06839	1.6
235.79581	1.3
238.45723	1.2
241.04976	25.6
247.00462	1.0
259.06021	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	259.0602
Annotation	Alternariol
Peak:m/z	Relative Intensity
55.01857	3.2
65.03953	0.8
67.05492	3.2
68.39452	0.7
69.03432	3.1
71.13128	1.0
71.13453	1.6
76.99096	0.8
79.05494	0.9
89.03928	7.0
89.78131	0.8
91.05479	2.4
93.07049	0.8
95.01321	1.9
95.04980	1.8
101.76949	0.8
105.07059	1.1
107.04967	1.6
113.56428	0.7
115.05451	11.9
117.03373	5.9
128.06200	3.9
129.07019	11.1
133.06497	1.4
135.04420	40.5
137.02336	1.4
138.05511	4.8
139.05412	8.5
141.06982	14.8
143.04935	7.6
145.02869	2.0
145.06516	1.4
145.90056	0.8
147.04416	2.8
147.07945	0.9
155.04956	1.4
157.06499	16.7
159.04526	0.9
160.05142	1.3
161.05986	27.6
163.03935	11.5
167.04935	4.4
168.05640	1.5
169.06487	9.9
171.04434	6.2
173.05980	5.0
175.03902	2.3
175.07509	7.3
183.04466	1.2
185.05977	21.8
186.06682	1.0
187.03958	2.4
187.07561	4.1
189.05481	16.2
191.81644	0.8
195.04456	3.5
197.05986	4.1
199.04039	1.7
200.04721	7.7
201.05447	5.2
203.07056	9.5
207.98131	0.9
213.05472	100.0
214.05859	1.5
215.07021	11.5
217.04938	11.0
231.06528	60.7
233.54727	0.8
235.97534	3.0
241.04964	9.3
253.98164	1.9
259.06064	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	258.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.6
55.05512	2.4
56.96567	6.1
57.03439	3.3
58.99856	1.7
60.95858	1.4
61.02919	3.5
62.69738	1.1
65.03951	2.2
66.04280	1.0
67.05504	1.5
68.98306	1.8
69.03442	5.2
69.96297	0.9
70.98119	1.1
70.99826	1.3
71.04987	1.5
73.02909	2.5
76.07024	0.9
77.00903	2.7
81.03426	4.4
81.99076	1.6
82.99840	2.0
83.04991	2.4
85.01382	1.9
85.02916	8.7
86.99342	1.9
87.04478	1.4
89.00904	1.3
93.03435	2.0
94.03738	1.3
95.04961	4.4
96.05314	1.6
97.01408	2.0
97.02885	5.2
98.20770	2.2
98.97597	11.5
99.04465	1.5
100.00108	9.6
101.00889	24.5
102.00948	7.5
102.02229	1.3
103.02467	2.1
105.00373	1.8
111.04411	1.5
111.07680	1.0
113.00880	5.6
114.00990	1.0
115.02445	11.6
116.02586	1.1
116.98660	5.9
117.02197	4.8
118.01138	13.5
119.01933	59.1
120.02016	30.1
121.01671	4.4
121.02883	9.1
122.03219	3.4
125.00800	1.1
126.01649	2.4
126.04538	1.0
126.06622	2.7
127.02437	2.4
127.03968	1.9
128.98642	1.6
129.03995	3.1
131.01912	19.9
131.04903	1.2
132.02046	2.7
133.03500	14.3
134.03587	2.2
134.99678	2.0
135.03206	2.1
136.02222	1.2
137.02985	8.6
138.01665	2.2
138.03047	8.4
139.02441	4.1
139.03951	2.1
141.03960	2.9
142.01129	17.5
143.01915	4.1
143.03651	1.3
144.02696	14.7
145.03481	9.8
145.04588	1.1
145.05074	1.0
146.03578	4.2
147.01384	1.6
147.03160	1.8
147.05113	2.1
148.04745	1.5
149.02942	2.8
154.01173	1.1
155.01961	2.2
155.06805	1.2
156.02722	20.7
157.03510	25.6
158.00635	2.2
158.03548	1.3
159.01398	4.1
159.05052	14.4
160.02209	14.6
160.05104	1.6
161.02942	6.3
161.05562	3.7
161.55653	1.4
162.03461	1.1
162.05321	1.3
163.04404	1.4
166.01128	4.6
167.02058	2.1
169.03427	4.7
170.03644	2.4
171.05057	4.2
171.06335	2.3
172.02219	1.3
172.05188	1.7
173.02998	3.8
174.03593	3.2
175.04543	9.0
177.00935	3.1
177.02397	1.3
177.06888	1.8
178.01033	2.6
181.03502	1.2
182.06635	1.4
184.02199	13.5
184.05038	1.3
185.03012	8.3
186.06744	5.1
187.04530	2.5
188.04718	1.3
188.97055	1.4
189.04106	3.1
189.06047	2.3
190.02646	2.1
191.02379	1.6
191.04034	2.9
196.05237	3.1
198.03127	6.0
199.04539	10.3
202.03198	1.3
203.03978	1.8
204.02252	1.9
204.04092	1.1
204.07819	1.9
205.03539	2.5
207.05168	5.4
209.03133	1.4
212.04691	4.3
214.06238	2.1
216.04280	3.7
216.99982	1.9
217.01854	1.6
217.03647	1.8
217.05609	8.3
219.01889	1.6
220.02258	1.6
221.02998	3.9
222.03145	7.7
229.02693	1.1
230.05888	2.3
234.01561	2.3
235.01601	6.7
235.04729	3.7
235.06642	100.0
236.06894	1.9
240.04204	3.9
244.04698	1.3
252.02701	4.6
252.99895	1.3
253.02220	8.2
253.07716	44.6
258.02856	8.7
258.05338	14.6
258.08261	33.4
258.99612	2.0
259.04388	2.0
262.03134	6.6
275.97839	2.0
276.03879	3.1
276.06415	7.0
276.09332	18.4
277.00858	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	257.2113
Annotation	Isoalbrassitriol
Peak:m/z	Relative Intensity
55.05518	8.1
55.05715	1.4
57.03181	2.3
57.03443	29.7
57.07082	76.2
59.99235	1.4
67.05508	18.1
69.07088	8.4
69.69021	3.3
69.69435	7.9
71.04984	1.6
71.08284	2.3
71.08640	37.7
79.05485	3.3
81.07064	17.7
83.04955	1.5
83.08621	14.0
85.06548	2.6
85.10193	19.9
89.06011	5.5
91.05470	6.4
93.07054	3.3
95.08042	2.4
95.08616	35.5
97.10175	7.9
98.20741	3.2
103.07581	5.4
105.07038	5.7
107.08563	1.8
109.10167	21.9
117.07008	6.3
119.08559	3.2
121.10145	2.1
123.11698	6.3
129.07001	5.4
130.85358	1.5
131.08575	10.4
131.10678	1.5
135.13603	1.5
141.07018	1.8
141.31682	1.4
143.08517	2.1
145.06412	1.7
145.10109	12.1
147.11748	1.7
148.77129	1.7
155.08566	1.7
157.10124	6.2
159.10458	1.6
159.11670	8.6
160.06165	1.5
165.16364	2.2
169.10139	5.8
171.11697	4.5
173.13258	2.8
183.11684	4.1
183.17438	15.7
185.13274	4.8
197.13283	2.6
201.18518	10.2
210.92039	1.5
212.92393	1.6
229.06190	2.3
239.18008	4.3
257.15363	6.7
257.18909	15.1
257.21167	100.0
257.26733	6.3
257.30273	5.6
271.41565	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2113
Annotation	Isoalbrassitriol
Peak:m/z	Relative Intensity
55.05507	11.5
57.03183	2.4
57.03440	30.6
57.07080	67.4
64.03345	2.3
66.00158	2.3
67.05511	17.4
69.07052	7.4
71.08639	35.8
71.57488	2.8
79.05453	2.4
81.07070	20.7
83.08618	9.4
85.10192	20.4
89.06030	8.0
91.05475	3.1
93.07058	2.6
95.08614	37.3
97.10175	5.2
103.07554	4.5
107.08546	2.8
109.10168	21.1
119.08655	3.1
122.37179	2.4
123.11723	4.8
131.53333	2.2
145.10133	3.4
183.17499	16.6
193.22273	2.1
201.18503	8.9
257.15396	4.0
257.21149	100.0
257.26541	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	257.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	9.8
67.05512	11.2
69.07059	19.0
71.04987	15.2
71.56515	7.6
79.05504	27.6
81.07066	93.0
85.06519	8.2
91.05460	20.9
93.07040	40.0
95.08587	29.8
97.06541	6.8
97.10187	8.1
99.08098	10.4
105.07030	28.1
107.08604	55.7
109.10150	37.3
117.07068	6.1
119.08597	39.3
121.10189	9.8
123.11704	17.8
127.11170	14.9
127.48384	6.5
128.06258	8.5
129.07051	12.4
131.08580	18.2
133.10136	29.4
135.11711	75.4
142.07805	12.6
143.08565	20.3
143.10719	6.8
145.10115	16.5
147.11687	18.2
155.08511	16.6
156.09346	7.5
157.10136	22.1
159.11687	18.0
161.13263	12.4
162.05525	8.9
171.11667	27.4
173.09616	9.2
173.13301	16.4
182.72395	5.5
183.11662	9.3
185.13266	15.2
193.07585	6.6
197.09775	6.4
197.13242	15.1
199.14819	23.5
203.17973	24.5
212.34213	7.1
213.16458	6.7
221.19002	19.6
234.98933	6.8
239.17982	18.9
255.28676	5.7
257.08432	7.2
257.12894	8.0
257.15390	16.5
257.19022	100.0
257.21759	8.3
257.22665	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	257.19
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16795	1.3
55.05504	6.0
56.96549	2.1
57.60004	1.2
61.74136	1.3
65.03954	1.5
67.05517	7.4
69.03424	2.0
69.07069	6.4
71.04982	4.5
71.24718	1.3
71.56520	2.3
79.05480	6.2
81.07070	7.6
83.04967	1.8
83.08642	1.6
85.06551	15.3
91.05489	7.5
93.07066	14.0
95.04992	2.7
95.08610	11.5
97.06529	3.8
98.97581	4.0
99.08102	3.9
105.07053	10.2
107.04982	1.4
107.08617	11.1
109.06498	1.6
109.10183	7.2
111.08105	2.1
113.09638	6.5
115.05493	1.6
116.98621	2.3
117.07025	4.8
119.08596	14.0
121.02847	1.2
121.10162	4.6
123.08071	1.9
128.06219	5.9
129.07048	7.6
130.07813	2.2
131.08604	7.0
133.10143	14.9
137.09665	2.1
141.07030	1.7
142.07784	13.8
143.08569	20.4
145.06509	2.0
145.10139	17.8
145.27740	1.2
147.11690	3.9
149.09631	3.2
152.81729	1.7
155.08572	8.1
156.08261	1.5
156.09334	9.3
157.10141	42.6
158.10876	2.6
159.11671	14.5
161.13257	3.4
161.84311	1.6
167.08589	2.5
168.09407	2.2
169.07658	4.1
169.10144	12.7
170.10909	9.0
171.11710	25.3
173.09673	1.7
173.13300	7.8
175.11168	1.8
175.14870	1.8
177.84499	1.4
182.10931	3.1
183.11674	15.1
184.07597	2.0
184.12505	19.0
185.13307	2.3
187.11177	2.5
187.14824	5.9
192.41075	1.8
195.11786	2.4
197.13272	16.3
199.14844	100.0
201.12718	5.4
209.13226	2.8
210.13951	2.1
211.08696	4.0
211.14842	3.9
213.16345	2.1
214.08652	3.4
215.14398	2.5
215.17950	1.7
224.15674	3.5
229.04915	2.9
229.09782	3.8
239.17984	23.6
257.04376	8.4
257.09189	12.0
257.12946	2.6
257.19025	61.9
258.05243	4.0
265.10797	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1903
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
53.03944	1.7
54.58689	1.0
55.05500	4.1
57.07070	2.8
61.78004	0.9
67.05511	5.6
69.07063	3.0
70.18259	2.2
70.18650	2.6
71.04997	3.4
79.05505	5.4
81.07060	5.7
83.04989	1.3
83.08627	2.2
85.06541	2.7
91.05483	7.6
93.07055	12.5
95.04956	3.1
95.08614	10.9
97.06537	2.0
99.08070	1.3
105.06382	1.6
105.07039	22.1
107.08601	14.6
109.06529	5.8
109.10168	11.8
111.08082	2.1
117.07031	5.2
118.97038	1.0
119.08592	19.7
121.10159	66.6
123.08063	4.3
123.11725	2.2
128.06219	2.6
129.06993	4.6
130.07802	1.2
131.08566	11.7
133.07581	1.2
133.10155	11.5
135.08078	13.7
135.11732	3.9
137.09598	5.4
141.06956	2.0
142.07819	4.5
143.08574	17.4
144.09386	2.4
145.10133	16.5
147.08092	1.5
147.11696	2.5
149.09647	4.3
155.08534	4.4
156.09360	2.9
156.44693	1.1
157.10162	24.0
158.10957	2.4
159.08105	2.0
159.11711	20.6
161.09651	2.4
161.13254	2.5
163.11177	4.3
168.09358	3.5
169.10156	10.2
171.11707	10.3
173.09683	2.1
173.13275	25.3
174.14087	2.7
175.11226	1.7
175.14902	2.7
177.12848	1.5
182.10963	2.0
183.11708	10.6
184.12460	4.0
185.13258	3.0
187.11183	5.7
187.14796	6.0
189.12836	2.2
195.11670	1.6
196.12621	1.7
197.13266	7.6
199.14845	32.2
201.12755	8.6
209.13225	1.6
211.14890	2.4
213.16394	12.0
214.13528	1.4
214.17152	3.1
215.14380	3.4
215.17981	6.7
224.15529	1.4
239.17978	15.3
257.19037	100.0
257.26657	10.4
258.27908	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	257.19
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03950	1.4
53.10942	1.0
53.81758	0.9
55.01865	1.7
55.05513	6.1
57.03411	1.3
57.07071	2.5
64.13626	0.9
67.05498	6.6
69.03412	1.3
69.07082	5.6
70.94263	1.0
71.04975	4.1
71.08627	1.2
71.11769	2.6
76.27336	0.9
79.05500	7.7
81.07059	11.3
83.04970	1.7
83.08603	2.7
85.02911	1.7
85.06548	18.6
88.65742	0.9
88.95296	1.2
91.03951	1.1
91.05492	6.9
91.38323	0.9
93.06469	1.3
93.07050	17.0
95.04982	1.6
95.08608	13.4
97.06515	2.6
97.10184	1.1
99.08084	4.5
105.07036	13.9
107.08595	14.0
109.06515	6.1
109.10164	7.4
111.08089	1.9
113.09628	4.5
117.07041	3.0
119.08582	15.7
121.10148	4.7
123.11749	1.7
128.06223	3.0
129.07010	10.7
129.83881	1.0
129.93329	1.0
130.07794	1.0
131.08554	7.5
133.06505	1.2
133.10143	12.3
135.08069	1.7
135.11684	1.6
137.09628	2.4
141.06981	3.7
142.07776	11.5
143.08560	24.5
144.09319	1.2
145.06572	1.1
145.10132	19.1
145.51514	0.9
147.08093	1.0
147.11717	2.7
149.09601	1.9
151.11200	1.2
153.07007	1.2
155.08569	8.2
156.09352	12.3
157.10133	35.5
159.11716	13.4
161.09604	1.2
161.13266	1.8
167.08575	1.9
168.09439	1.8
169.10132	13.3
170.10970	7.4
171.11690	31.9
172.12459	1.4
173.05991	1.2
173.09642	1.5
173.13263	6.9
177.12651	1.1
181.10109	1.4
182.11028	2.1
183.11702	16.5
184.12500	16.7
185.13261	1.7
187.11171	3.5
187.14771	6.2
189.12775	1.0
195.11621	2.6
196.12457	1.6
196.98792	1.0
197.13289	19.8
199.14835	100.0
200.15332	1.2
201.12796	6.4
209.13225	2.7
210.14088	1.3
211.07622	1.3
211.14803	3.9
213.16388	2.4
215.14307	2.8
215.18015	2.0
224.15668	3.4
229.09921	1.1
234.98964	1.6
239.17970	27.7
257.05716	1.3
257.08038	2.0
257.15527	2.3
257.19025	64.3
258.19321	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1901
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.05507	7.0
56.38194	1.5
57.03432	2.6
57.07067	2.8
61.88971	1.3
67.05501	7.4
68.99784	3.2
69.03403	3.2
69.07059	7.5
71.04985	5.0
71.56274	3.4
79.05482	5.1
81.07063	11.9
83.04968	2.3
83.08599	2.4
85.06545	22.4
88.65600	1.6
90.56461	1.5
91.05469	11.1
93.07056	16.0
93.87955	1.5
95.04977	2.7
95.08621	13.9
97.02902	4.3
97.06533	5.8
98.97565	2.2
99.08107	6.4
105.07035	15.4
107.08614	14.5
109.06538	4.9
109.10143	5.4
113.09612	4.0
117.07008	4.8
119.08581	16.6
121.02905	3.1
121.10143	6.5
123.08046	2.3
128.06219	5.1
129.06996	12.0
130.07845	2.0
131.01875	2.4
131.08560	9.1
133.10115	16.2
135.08051	2.9
137.09660	2.9
141.06940	3.1
142.07800	10.0
143.08574	24.1
144.09303	2.9
145.06505	3.4
145.10143	17.8
147.11679	4.0
155.08566	8.9
156.09337	11.6
157.10135	41.2
158.10890	2.8
159.11668	13.6
161.13249	2.0
167.08641	2.0
168.09364	3.4
169.07596	2.1
169.10117	15.5
170.10912	8.8
171.11700	27.8
173.05948	2.6
173.13255	7.6
175.11198	3.5
181.10245	2.2
182.10983	1.7
183.11684	19.7
184.12489	17.8
185.13281	2.3
186.10226	5.0
187.11115	2.2
187.14828	7.5
195.11674	4.1
197.13312	23.8
199.14832	100.0
200.15141	3.0
201.05505	3.6
201.12756	5.5
209.13231	3.3
210.11438	2.2
210.14085	2.2
211.08705	4.0
211.14879	2.8
213.16422	3.8
215.14247	3.0
224.15639	3.2
229.04968	9.4
239.15688	3.7
239.17972	34.0
239.20384	1.8
257.04492	25.4
257.09183	5.4
257.16327	5.3
257.19025	68.9
258.05002	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	257.1901
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03940	2.1
55.01878	1.2
55.05508	7.4
56.22424	1.0
57.07074	3.0
59.66133	0.8
59.95436	0.9
64.60785	0.9
67.05511	9.3
68.66886	1.1
69.03424	1.3
69.07077	10.1
69.36794	8.2
71.04996	5.2
79.05495	6.8
81.07061	12.9
83.04994	1.6
83.08621	5.0
85.06547	20.2
91.05474	10.5
93.07047	13.4
95.04955	1.1
95.08047	1.7
95.08614	16.4
97.06530	3.8
97.10190	1.9
99.08070	5.4
105.07024	16.3
107.08601	14.5
109.06513	6.9
109.10175	9.3
111.08059	2.4
111.11726	1.3
113.09641	3.8
115.05466	1.6
117.06965	4.8
119.08579	14.8
121.10158	6.6
123.08073	1.5
123.11735	2.4
128.06261	4.7
129.06998	10.4
130.07796	1.4
131.08575	9.2
133.06531	1.8
133.10127	13.2
135.08067	3.0
135.11700	1.8
136.06923	1.0
137.09631	2.3
141.07010	4.5
142.07771	12.6
143.08559	26.1
144.09334	3.5
145.06473	1.8
145.10120	19.5
145.79510	0.9
147.11673	4.0
149.09616	1.8
153.06973	1.3
155.08533	7.0
156.09370	10.0
157.10130	39.5
158.10863	2.2
159.11699	17.6
161.09630	2.0
161.13274	1.5
163.11209	1.2
167.08627	2.4
168.09381	1.8
169.06407	1.0
169.10135	14.7
170.10876	7.7
171.11688	32.6
172.12338	1.1
173.05977	19.6
173.09673	2.7
173.13254	8.4
175.11182	1.9
181.09995	1.0
182.10925	3.2
183.11719	18.2
184.12465	15.9
185.13211	1.6
186.42151	0.9
187.11211	3.0
187.14764	7.1
189.12814	2.6
190.13562	5.3
195.11711	2.8
196.12589	2.0
197.13271	22.6
199.14827	100.0
200.15332	1.1
201.12749	10.7
209.13277	3.3
210.13950	2.2
211.14804	4.0
213.16408	3.5
214.17264	1.2
215.14369	3.0
215.17957	1.8
224.15627	3.1
239.17947	30.5
257.05295	1.6
257.09048	1.2
257.11752	20.2
257.15588	3.2
257.19016	87.5
258.19351	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1901
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.05509	10.1
57.07070	2.9
57.92600	1.4
57.98745	1.6
67.05511	9.2
69.03406	2.7
69.07073	12.4
71.04977	5.0
71.56297	3.1
73.81890	1.4
79.05492	9.9
81.07056	14.5
83.04990	1.7
83.08617	5.6
85.06555	12.0
91.05493	13.4
91.35217	1.8
93.07043	18.4
95.04988	2.2
95.08622	23.1
97.06554	3.0
97.10176	2.6
99.08096	1.9
100.11259	12.1
105.07040	21.6
107.08619	15.7
109.06525	5.0
109.10158	8.0
111.08066	3.4
113.09655	15.6
117.07039	5.1
119.08592	26.4
121.06573	2.3
121.10151	4.3
123.08085	2.0
123.11685	2.6
128.06235	5.6
129.07005	13.2
130.07797	2.8
131.08594	11.6
133.10141	12.4
135.08093	1.9
137.09630	2.0
141.07034	5.5
142.07788	14.2
143.08577	31.8
144.09355	3.8
145.06468	2.1
145.10130	34.6
147.11766	3.6
149.09624	2.0
154.24709	1.7
155.08540	9.2
156.09392	11.0
157.10141	51.6
158.10901	2.8
159.11676	11.7
161.09639	2.4
161.13252	2.1
167.08517	2.9
168.09352	3.0
169.10129	14.5
170.10927	6.4
171.11699	20.4
173.09625	2.6
173.13257	10.2
173.16492	6.2
175.11201	2.1
175.14857	1.9
181.10149	2.0
183.11731	13.2
184.12549	13.4
184.16968	2.2
185.13264	3.2
187.11250	3.7
187.14864	8.1
195.11630	2.1
197.13278	12.2
199.14838	100.0
201.12801	4.7
201.19640	2.9
211.14851	2.5
213.16434	1.8
215.14297	3.2
215.17941	2.3
224.15581	3.4
229.19540	1.6
239.18019	21.7
257.04626	2.3
257.09134	5.2
257.12836	3.9
257.15570	5.2
257.19040	99.1
257.22345	7.4
258.19440	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0922
Annotation	Dichotomine A
Peak:m/z	Relative Intensity
55.01880	0.6
55.05504	1.4
67.05502	1.3
69.07069	0.6
69.34591	0.4
70.16245	2.1
71.05012	0.8
71.43805	0.4
71.68205	0.5
79.05495	1.1
81.07064	1.3
83.04970	0.7
85.06581	0.7
91.05482	1.6
93.07044	1.4
95.05022	0.7
95.08622	1.6
95.34395	0.5
97.06531	0.5
98.97590	1.8
103.63721	0.5
105.07030	1.6
107.04948	1.5
107.08595	1.0
109.06477	0.9
109.10149	1.2
111.08081	0.8
115.05450	0.9
116.04218	0.5
116.98633	0.8
119.04983	0.8
119.08584	1.8
121.06526	0.5
123.04424	0.5
128.06267	0.7
129.06993	2.1
131.04944	0.8
131.08569	1.3
133.10147	1.2
137.09637	0.9
142.06429	0.6
143.08517	1.0
145.10132	1.4
147.04428	1.5
147.08047	0.7
147.11691	0.8
151.07552	0.6
155.06038	1.5
155.08565	0.8
156.08109	5.2
156.09299	0.7
157.10127	1.0
159.11667	0.9
159.77135	0.6
165.06952	1.0
166.06441	2.5
168.08153	0.6
169.07619	41.5
170.06046	0.5
171.06775	1.0
173.13297	0.8
177.00894	0.6
182.08423	1.9
183.09186	14.6
183.11708	1.1
184.07596	13.9
191.02289	0.6
192.06795	1.2
193.07631	10.2
197.13290	0.8
199.14899	1.8
201.12679	1.0
211.08685	50.6
221.15535	0.5
227.08214	0.5
229.09743	58.5
230.09966	0.5
239.08392	3.7
239.18037	1.0
257.09238	100.0
257.19009	5.9
257.26724	0.6
258.09470	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0923
Annotation	Dichotomine A
Peak:m/z	Relative Intensity
54.68948	0.4
55.01870	0.4
55.05516	1.0
57.03434	0.6
57.07059	0.7
60.18091	0.4
67.05489	1.3
69.03436	0.4
69.07056	1.1
71.04984	0.5
71.56694	0.6
79.05522	1.1
81.03406	0.7
81.07064	2.2
83.04981	0.6
85.02898	0.6
85.06550	0.9
91.05484	1.8
92.64207	0.5
93.07047	2.1
95.04971	0.5
95.08599	2.2
95.30467	0.5
97.06512	0.5
98.97595	0.8
99.08081	0.6
105.07052	2.4
105.28172	0.4
107.08615	2.1
107.84348	0.4
109.06528	0.8
109.10152	1.2
111.08089	0.6
113.09608	0.8
115.25586	0.4
117.07079	0.9
119.08549	2.0
121.10154	1.0
125.09555	0.5
129.07037	2.3
131.08556	1.2
133.10159	2.5
135.11690	0.5
142.07803	0.8
143.08577	1.8
145.10127	2.0
146.92674	0.4
154.40271	0.5
155.06090	1.1
155.08559	0.7
156.08128	5.4
156.09322	0.6
157.10161	2.4
159.11723	1.2
166.06522	2.6
167.07315	0.6
168.06848	0.6
169.07629	43.7
169.10077	1.4
171.06772	1.7
171.11731	1.8
173.13246	1.3
181.05142	0.5
182.08365	1.9
183.09209	14.2
183.11774	1.6
184.07591	15.3
184.12473	0.7
192.06865	1.0
193.07639	11.8
197.13240	1.2
199.14816	4.9
201.12860	1.0
211.08685	48.1
215.14211	0.7
228.10345	0.6
229.09749	57.4
230.10060	1.0
234.98984	0.5
239.08228	5.0
239.18013	2.0
257.09241	100.0
257.18982	7.7
258.09573	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.3
55.01860	0.7
55.05519	3.4
56.96569	4.4
57.03432	1.6
58.99866	2.0
59.49853	0.5
61.02922	1.4
65.03949	4.7
67.05510	5.7
69.03432	1.7
70.16914	1.3
70.17329	1.9
71.05007	0.8
73.02918	1.1
77.00891	1.3
81.03414	1.1
82.99817	3.5
83.04989	6.0
85.01386	1.0
85.02899	3.0
89.00859	0.7
89.35159	0.6
93.03413	6.4
95.04968	10.8
97.01389	1.0
97.02884	3.0
98.97588	20.6
101.00886	32.4
103.02431	1.8
105.00383	1.4
107.01752	0.6
111.04465	2.9
113.00880	3.1
115.02433	5.8
116.02549	1.7
116.98623	12.0
117.04012	1.2
118.01142	0.6
119.01927	100.0
120.01996	0.9
121.01550	0.9
121.02872	20.9
121.03705	1.2
125.04411	1.3
127.02415	2.5
127.03941	1.2
129.00386	0.8
129.03993	0.8
131.01907	9.3
131.02798	1.0
133.03474	4.6
134.03572	0.9
134.99669	4.6
137.02968	22.2
138.03102	0.5
139.02414	0.9
139.03915	2.8
141.03958	1.9
142.03441	1.2
143.01909	2.3
143.05562	2.5
145.03471	21.9
147.01418	2.7
151.00911	0.7
151.02373	0.7
151.04567	0.7
153.04005	2.7
154.04800	1.7
155.01926	3.9
157.03520	3.4
159.01509	0.8
159.05057	5.9
161.02994	3.9
161.05557	2.3
161.06705	1.0
163.04512	5.7
165.33670	0.6
166.52834	0.8
167.05574	1.5
169.03505	5.2
170.06116	1.4
171.01457	3.1
171.02797	0.6
171.05061	4.8
172.01485	1.0
172.94394	1.3
173.02985	5.4
175.00978	1.4
175.04553	1.7
177.01041	3.3
177.06094	2.5
179.02008	1.4
183.05058	1.6
185.03014	1.7
185.06615	20.8
187.00883	0.8
187.04524	2.9
189.02478	13.4
189.06049	1.3
190.02756	1.6
190.95442	2.0
193.01961	1.7
193.03545	1.3
195.05013	5.0
197.02965	9.9
201.06129	1.2
203.02017	3.7
203.04008	1.2
203.07689	5.3
207.03526	4.8
208.08342	0.6
209.02908	1.0
211.04515	7.9
213.02534	0.7
213.04488	0.8
213.06158	5.8
215.00600	1.3
215.04031	8.1
216.98686	0.8
219.01987	2.5
221.02985	16.0
221.04968	1.2
229.05595	4.6
231.03508	0.8
231.07220	2.3
233.01410	6.7
233.05153	1.5
234.01645	3.7
234.99683	1.2
235.06689	1.9
239.04015	8.0
243.02019	1.0
247.06699	0.8
251.02507	11.4
251.99925	1.0
252.02696	6.1
253.07840	1.1
256.96503	1.4
257.03064	5.7
257.05130	23.2
261.03098	8.9
274.97522	10.8
275.03519	1.0
275.06454	10.6
276.04028	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.9649
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98645	0.3
55.01873	0.2
55.05513	0.2
56.96569	13.9
58.99862	0.3
61.02929	0.3
69.03430	0.6
70.79776	0.6
70.80136	0.4
71.04977	0.2
71.95271	3.1
73.02925	0.3
81.03414	0.3
83.04996	0.3
85.02908	1.0
93.03418	0.4
95.04974	0.3
97.01418	0.4
97.02908	0.8
98.20525	0.2
98.97591	100.0
101.00877	3.0
101.02429	0.2
103.02377	0.2
107.41583	0.3
111.04474	0.2
113.00916	0.4
115.02435	1.6
116.02509	0.4
116.98631	50.9
119.01928	7.1
121.02873	0.9
130.93314	1.9
131.00183	0.8
131.01895	0.6
133.03445	0.8
134.99672	14.6
137.02959	1.2
140.00197	1.0
143.01901	1.1
145.03482	0.6
149.01256	0.3
153.00739	1.2
153.55884	0.2
154.03822	0.2
154.93242	0.2
158.01242	0.3
159.05028	0.3
161.02980	2.1
161.05482	0.6
163.04436	0.5
170.06091	0.3
172.94362	4.6
173.03027	0.2
177.00931	0.6
185.06595	0.6
189.02374	0.4
190.95415	4.8
195.05170	0.3
197.02870	0.3
200.04445	0.4
203.07642	0.4
208.03548	0.3
208.96437	1.1
213.05991	0.4
214.95441	2.0
215.04044	0.4
219.01891	0.4
221.02940	0.7
232.96465	4.9
233.01443	2.5
234.01665	0.6
239.04048	0.3
243.01974	0.3
250.97523	2.3
251.02533	4.8
252.02657	1.0
256.96457	8.3
256.99222	0.4
257.03082	0.7
257.05072	0.9
261.03024	1.2
274.97522	54.0
275.97839	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.4
56.96564	2.3
57.01733	0.7
57.03440	2.9
58.99858	3.8
61.02928	2.4
69.03423	3.2
69.23507	4.8
69.23936	3.2
73.02913	2.0
77.00916	3.8
79.00423	0.9
81.03448	0.8
82.01467	5.0
85.01395	0.8
85.02914	6.0
87.04491	1.0
95.04969	1.0
97.01398	9.7
97.02910	2.4
98.21400	2.5
99.02962	1.3
100.02487	12.4
101.00885	6.0
103.02469	1.4
103.22152	0.7
113.00888	4.0
115.02449	46.4
116.17672	0.7
116.98650	0.9
117.04029	4.8
118.01196	0.8
118.03497	4.7
119.01934	15.3
121.02861	1.2
124.03975	6.2
127.02421	1.9
127.03982	0.7
128.01994	1.0
128.75185	0.7
129.03975	0.9
131.01950	5.1
133.03485	19.4
135.05048	1.8
137.02965	1.8
138.04044	1.1
140.05493	1.2
142.03558	1.0
143.01895	6.7
144.05107	0.9
144.99829	1.3
145.03500	5.2
145.99937	1.7
147.01398	1.4
153.00298	1.3
154.03496	1.2
156.05087	1.1
157.01434	1.2
157.03482	1.7
158.06654	1.9
159.01385	3.1
159.05089	0.9
161.03000	5.6
161.05496	1.4
168.99872	1.0
169.03424	1.6
169.05316	1.7
171.01395	10.5
171.05057	2.4
173.02948	1.4
175.04553	0.9
177.02423	1.9
184.04556	2.4
184.08284	1.3
185.02925	1.3
185.06575	2.6
187.00922	5.5
187.02524	1.1
187.04610	0.7
189.02470	13.5
189.03986	1.8
189.06027	1.5
194.02995	2.4
196.99281	1.6
197.02937	1.8
203.03967	1.0
205.01982	2.0
207.03537	8.6
211.04552	1.2
212.04074	13.5
215.00366	6.4
215.04045	2.5
218.97908	0.8
221.02946	1.0
225.56268	1.1
229.05669	1.0
230.05159	5.1
231.07054	0.9
233.01456	57.8
233.05182	2.2
234.01614	1.2
238.02020	3.9
238.05627	2.1
247.03064	1.5
251.02522	99.4
252.02831	1.2
256.03046	100.0
257.02911	1.1
257.05356	1.6
270.04730	1.7
274.04105	46.7
279.04642	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.5
56.25891	0.3
57.03419	0.3
67.05504	0.5
69.07045	0.5
70.85213	0.8
75.54697	0.3
81.07038	1.0
83.04971	0.4
91.05453	0.4
93.07042	0.6
95.04971	0.3
95.08619	0.5
98.98483	2.1
107.08563	0.4
115.33137	0.3
117.35854	0.4
121.10156	0.5
129.06981	0.6
135.11723	0.4
139.23586	0.2
154.06529	8.2
163.07251	0.3
181.07617	51.6
182.06021	2.9
182.07570	0.4
182.73151	0.3
197.13219	0.3
208.08292	0.3
209.07106	11.3
213.05486	0.3
227.08163	100.0
228.08379	1.4
255.07663	73.7
255.17555	0.8
256.08020	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.8
55.01865	2.9
55.05515	28.4
57.03444	53.6
57.07048	3.6
59.04974	1.7
67.05512	80.6
69.03421	2.3
69.07079	24.3
71.01373	7.0
71.04998	8.0
79.05500	75.4
81.03420	9.0
81.07067	42.1
83.04992	17.6
83.08580	6.0
85.02889	2.0
85.06558	7.6
91.05487	31.5
93.07055	80.6
94.67031	1.2
95.04985	8.2
95.08612	11.6
97.06024	1.7
97.06546	24.2
97.10186	15.4
98.20701	2.7
98.98476	17.5
99.04467	1.6
99.08070	3.6
105.07045	9.5
107.04959	2.0
107.08607	55.3
109.06499	3.0
109.09547	1.2
109.10172	12.1
111.08054	3.6
117.07021	7.6
119.08602	10.1
121.06483	3.0
121.09457	1.3
121.10147	15.5
123.11726	1.6
125.09582	3.7
133.10158	7.0
135.08003	2.9
135.11705	100.0
137.09543	2.9
143.08469	1.5
145.10143	17.8
151.11232	1.7
153.12730	4.5
154.06622	1.4
157.10126	2.0
160.36723	1.2
163.11217	14.8
164.91864	1.5
169.10229	1.8
171.11641	1.8
181.07672	6.7
181.12242	20.7
197.13292	2.4
219.13811	1.7
227.08122	12.9
255.07516	7.6
255.10196	2.7
255.15814	46.9
255.20354	2.7
255.20911	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	253.18
Annotation	Hanalpinol
Peak:m/z	Relative Intensity
53.03943	0.6
55.01867	0.4
55.05515	2.9
56.92819	0.2
57.03429	0.4
57.07077	2.1
59.04988	0.4
65.03932	0.3
67.01854	0.4
67.05174	0.2
67.05508	3.7
68.99438	0.3
68.99793	3.9
69.03423	0.3
69.07073	2.5
70.62630	0.5
71.01369	0.3
71.04990	0.6
71.08617	0.6
79.05505	1.5
81.03421	1.8
81.07060	3.2
83.04976	0.5
83.08632	1.2
85.02899	0.4
85.06492	0.2
85.10172	0.5
87.00838	2.6
91.05464	1.1
93.07049	1.0
94.91084	0.2
95.04964	0.9
95.08061	0.2
95.08614	2.4
97.02879	0.3
97.06499	0.2
97.10130	0.3
98.98470	24.0
105.03368	0.4
105.07009	0.8
107.08599	0.5
108.05693	0.2
109.02866	0.6
109.06496	0.3
109.10167	1.0
110.99056	0.2
111.00791	1.5
111.04351	0.2
113.02350	1.5
116.99500	0.8
119.08611	0.3
123.04422	0.9
123.08072	0.2
123.11646	0.2
126.03137	3.7
127.03915	0.9
129.78313	0.2
133.10077	0.5
139.03931	0.9
163.01227	0.3
169.08601	0.3
174.99229	0.3
176.98956	0.4
181.12059	0.2
183.10178	0.8
197.11777	1.5
211.13307	0.7
225.14900	0.3
225.18591	0.8
253.17990	100.0
254.18352	0.9
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	Juvenile hormone III acid
Peak:m/z	Relative Intensity
55.05507	5.3
57.03434	1.8
57.07085	2.1
59.04989	1.4
63.36530	1.4
65.03937	1.5
67.05505	20.1
69.03436	2.0
69.07069	6.1
69.56191	8.1
71.05000	17.2
73.34296	1.3
79.05498	6.0
81.07067	16.0
83.04969	2.7
83.08608	3.1
85.06554	2.8
91.05473	6.8
93.07027	9.1
95.04973	18.7
95.08606	10.7
97.06535	3.8
97.10206	1.8
98.20853	1.7
98.98466	100.0
105.07024	13.0
107.08596	17.8
109.06551	2.5
109.10157	38.5
111.08028	1.4
113.06020	2.2
116.99514	3.9
117.06989	2.1
119.08588	15.7
121.10128	14.2
123.08096	2.2
123.11727	3.2
125.09635	10.1
127.07590	1.6
127.11234	2.0
131.08582	5.7
133.10165	8.8
135.11713	8.3
137.09633	2.9
137.13341	1.5
139.07582	1.4
143.08559	2.4
145.10161	9.5
147.08075	1.4
147.11696	20.9
149.09648	3.7
149.13254	2.9
153.12680	6.5
157.10161	3.2
159.11736	3.2
162.49297	1.4
164.55345	1.4
165.12741	2.2
174.99274	1.6
175.11188	2.6
175.14867	3.9
176.98903	2.5
189.16296	6.4
191.18002	3.9
193.15913	4.7
197.11928	1.3
199.14842	2.1
207.17500	1.4
213.93550	1.4
217.15875	8.8
219.55446	1.4
235.16899	15.5
250.38467	1.3
253.08772	2.0
253.18129	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	253.1799
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
54.00418	0.6
55.05512	2.6
57.03421	0.5
57.07070	2.0
67.05221	0.5
67.05515	5.6
69.03439	0.9
69.07070	4.1
71.05006	3.3
71.08604	0.4
74.98283	0.5
75.95702	0.5
79.05488	1.9
81.07060	7.4
83.04974	0.9
83.08623	2.5
85.06529	1.3
88.74953	0.5
91.05503	2.9
93.07042	4.6
95.04988	3.1
95.08615	6.9
97.02898	0.6
97.06521	1.0
97.10172	1.6
98.98471	100.0
99.08092	0.7
100.98904	1.2
105.07032	3.4
107.08601	4.1
107.46967	0.5
109.06528	1.2
109.10152	8.2
111.08063	0.9
111.11683	0.7
116.98809	0.5
116.99524	3.3
118.01872	0.4
119.08558	3.4
119.52888	0.4
121.06522	0.6
121.10152	7.0
123.08083	0.7
123.11704	1.4
125.09637	1.6
127.11199	0.7
131.08568	0.9
133.10155	2.8
135.08046	0.9
135.11705	1.9
137.09619	1.0
137.13266	0.7
137.72147	0.5
140.01140	0.8
143.08554	0.8
145.10103	1.3
147.08032	0.7
147.11688	4.1
149.09691	0.8
149.13284	1.1
151.11220	1.1
153.12767	1.0
157.10085	0.7
159.11678	0.9
161.13251	1.0
165.12788	0.7
174.99225	1.8
175.11264	0.6
175.14828	1.3
176.98999	2.3
179.08705	0.7
189.16437	2.6
193.15852	0.9
197.11732	1.2
207.17400	1.0
217.15930	1.8
217.19559	1.2
235.13351	0.6
235.16956	3.5
235.20569	1.1
253.04999	0.5
253.08626	0.9
253.12064	0.9
253.15883	1.0
253.17860	1.1
253.19913	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.18
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
53.03962	0.8
55.01872	0.8
55.05508	2.3
56.96544	0.8
57.07072	2.3
67.05507	7.9
69.03428	1.4
69.07079	4.3
69.82725	0.6
71.04998	7.0
71.56783	1.4
79.05503	1.8
81.03417	1.3
81.07065	8.2
83.04986	1.7
83.08603	1.5
85.06540	1.9
91.04986	0.8
91.05475	3.7
93.07057	3.7
95.04994	5.6
95.08612	6.3
97.06533	1.6
98.98474	100.0
99.08102	0.7
100.98872	0.8
105.07037	6.4
107.08618	5.2
109.06528	1.4
109.10165	12.5
111.08094	0.9
113.06054	1.0
116.99516	2.6
119.08620	3.8
121.10173	6.3
123.08072	1.6
123.11725	1.7
125.09631	2.7
127.11248	1.5
129.06982	0.8
131.08611	1.1
133.10150	3.8
135.08090	0.9
135.11714	2.3
137.09641	0.9
145.10172	3.2
147.08057	1.1
147.11685	6.2
149.09612	1.9
149.13275	0.8
151.11253	0.9
152.13451	0.6
153.12753	1.8
157.10159	0.8
158.99768	0.7
159.11703	1.4
161.09673	1.2
167.08597	0.7
174.99268	2.9
175.11241	0.9
175.14825	1.2
176.98982	1.6
179.10698	0.9
189.16434	3.0
191.17949	0.7
193.15880	0.9
197.11737	1.3
199.14903	1.0
207.17358	0.8
211.11104	1.0
211.15068	0.7
217.15929	2.6
217.19508	0.9
235.16994	4.8
235.20424	0.9
253.05112	1.1
253.08618	0.9
253.15907	1.7
253.17979	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04258	0.5
50.33919	0.5
53.03947	2.4
55.01882	3.3
55.05515	9.3
57.03443	18.2
57.07086	0.8
65.03937	2.2
66.37254	0.6
67.05511	32.1
69.03431	2.3
69.07069	3.7
70.70699	0.8
70.71041	1.3
71.05006	2.8
77.03925	0.8
79.05500	23.4
81.03427	12.7
81.06581	0.9
81.07067	17.9
83.04989	20.0
83.08620	2.4
84.04546	0.6
85.06559	3.3
91.05489	100.0
93.07053	7.6
95.04978	6.5
95.08627	4.2
97.02898	5.4
97.06552	2.2
98.98479	17.2
99.04476	0.8
100.11283	1.6
103.03959	1.6
105.07042	35.8
107.04971	8.3
107.08605	5.4
109.06528	3.0
109.10180	2.3
111.08092	1.3
113.06031	1.4
115.05479	1.2
117.07021	8.2
119.03441	0.6
119.08593	13.1
121.10159	3.2
123.08107	1.1
123.11771	1.0
128.06181	3.5
131.08592	4.9
133.06497	0.7
133.10143	34.1
135.08073	2.5
135.11711	0.6
137.09656	1.3
143.08559	4.8
147.08041	1.5
148.92993	0.7
149.09630	10.2
151.11171	5.0
161.09644	15.1
171.14954	1.6
174.99419	0.6
179.10686	7.4
183.10222	0.6
211.60228	0.6
235.16920	0.8
253.08575	0.8
253.14380	15.8
253.19308	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.8
55.01860	2.1
55.05512	3.8
57.03438	6.4
57.07077	1.4
65.03910	1.2
67.05172	1.0
67.05506	15.8
69.07055	1.7
69.35793	6.6
71.04978	1.9
79.05493	9.0
81.03407	3.6
81.07060	9.9
83.04984	7.4
83.08598	0.9
85.06528	1.6
91.05484	34.8
91.74818	0.8
92.84908	0.9
93.07025	3.4
95.04970	12.4
95.08024	0.8
95.08604	3.0
97.02872	1.3
97.06544	5.2
98.20773	1.6
98.98469	100.0
100.98888	1.4
105.06372	1.3
105.07030	13.1
107.04967	1.8
107.08591	2.6
109.06541	1.4
113.06024	1.6
115.05457	1.0
116.99483	2.2
117.07019	4.6
119.08588	5.5
121.10139	1.0
123.08060	1.0
128.06219	3.3
131.08519	2.0
133.06435	1.1
133.10133	14.9
135.08035	2.5
143.08540	4.7
149.09607	1.6
151.11148	2.0
161.09612	5.8
174.99214	1.7
176.98840	1.9
179.10646	3.4
197.11679	1.8
205.98807	1.1
206.98944	1.0
253.11888	2.1
253.14296	10.4
261.75922	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
69.83990	0.4
70.02936	0.5
70.36449	1.5
74.20895	0.4
81.07056	0.6
87.00838	2.4
87.72901	0.4
91.05495	1.1
93.07051	1.7
95.08608	0.5
98.20796	0.6
98.98470	18.4
103.05472	7.1
107.05019	0.5
110.46230	0.5
116.99458	0.6
118.06547	10.0
120.08114	100.0
128.04950	1.6
131.04944	0.4
135.70525	0.4
136.06163	0.6
138.09122	0.5
145.06541	0.4
146.06020	18.9
148.07507	0.5
164.07047	0.6
166.08696	2.3
176.98842	0.5
188.07083	16.6
192.06531	1.5
206.08138	60.8
207.08430	0.5
216.06560	0.5
234.07539	1.2
252.12411	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17274	0.4
55.01875	0.4
55.05503	0.4
56.96567	2.7
57.07066	1.3
61.02934	0.5
63.09357	0.3
64.40193	0.3
67.05509	5.8
69.03424	1.4
69.07066	1.0
71.04998	1.2
71.44836	0.4
71.55881	0.6
71.56249	0.5
73.06556	4.3
79.05531	0.5
81.03428	0.8
81.07054	1.4
85.02912	1.5
91.05489	1.1
93.12547	0.4
95.04964	0.5
95.08618	1.1
97.02913	0.7
98.98473	100.0
99.04487	0.4
100.98904	0.9
105.07047	1.1
107.04958	1.2
107.08598	0.8
109.10168	2.3
116.99489	3.1
119.04964	0.5
119.08579	0.7
121.06524	1.2
123.04420	0.9
127.03879	0.6
127.11201	0.4
133.02815	0.3
134.06041	0.5
135.04274	0.4
137.02386	1.1
141.05466	1.0
147.04425	1.6
147.11676	0.5
152.07112	0.7
161.06018	0.6
163.03970	0.5
165.05496	0.4
174.99260	1.6
175.07573	0.9
176.98964	1.2
189.05527	1.0
192.78139	0.4
193.01697	0.4
193.05009	0.4
195.11250	0.4
197.11755	1.6
205.01801	0.4
207.08084	0.7
208.08411	0.6
211.02797	0.4
217.08942	0.9
219.05060	0.4
223.02811	1.1
235.10527	0.4
244.03868	0.4
253.03641	1.9
253.10774	0.6
253.16312	0.6
271.04810	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2007
Annotation	roughanic acid
Peak:m/z	Relative Intensity
53.03959	1.0
55.01881	1.0
55.05510	5.7
57.03440	0.9
57.07083	2.0
65.03946	1.6
67.05512	59.9
68.99779	0.6
69.03442	0.4
69.07071	6.4
70.19658	1.9
71.05001	1.2
71.08621	0.6
71.97238	0.4
79.05502	11.1
79.56376	0.5
79.59814	0.5
81.07066	57.3
83.04996	1.5
83.08635	3.8
85.02903	0.5
85.06538	2.0
91.05492	4.5
93.07053	15.8
93.07631	1.0
95.04984	1.6
95.08615	45.5
95.33942	0.5
97.06534	2.0
97.10163	1.3
98.98476	100.0
99.08133	0.5
105.07011	3.1
107.08602	10.5
107.09298	0.8
109.06535	0.9
109.10169	28.8
111.00819	1.1
111.08093	1.0
116.99533	2.2
117.07039	1.8
119.08599	3.3
121.06543	1.0
121.10156	9.0
123.08104	1.0
123.11722	14.8
127.03879	0.5
127.07582	0.6
131.08565	4.9
132.29504	0.4
133.10153	3.5
134.46852	0.4
135.08076	1.9
135.11700	7.9
137.09650	0.8
137.13252	5.2
139.03915	0.5
145.10117	3.4
147.11685	1.6
149.09651	3.4
149.13268	5.6
151.11241	1.3
151.14803	0.6
153.09123	1.0
153.12698	0.5
159.11714	3.5
163.07553	0.5
163.11217	2.9
167.10721	1.6
170.93446	0.5
173.09535	0.4
173.13293	1.8
174.99261	2.3
177.12831	2.4
181.12291	3.3
187.45882	0.4
191.10727	0.7
191.14304	1.0
191.17986	2.5
195.13866	3.1
205.19592	1.0
209.15405	1.7
214.26910	0.5
215.17984	4.3
233.11687	0.6
233.19055	3.9
251.16449	2.3
251.20087	28.1
259.52783	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1643
Annotation	Deodardione
Peak:m/z	Relative Intensity
53.03949	0.7
55.01873	4.2
55.05515	19.6
57.03441	0.9
57.07083	4.8
59.05005	0.6
59.05374	0.3
65.03936	0.7
67.01865	3.1
67.05505	7.8
67.08132	0.4
68.99795	25.9
69.03435	1.5
69.07073	27.5
69.67867	1.2
69.68278	1.1
71.04997	1.6
71.08634	1.8
74.86201	0.4
75.63649	0.4
79.05493	5.8
81.03426	1.4
81.07061	12.3
81.08075	0.4
83.04993	4.2
83.08624	16.3
85.02884	0.7
85.06564	0.9
85.35222	0.4
87.00838	0.9
91.05495	2.1
93.03407	0.5
93.07053	9.7
95.04978	1.3
95.08611	8.5
97.02896	2.6
97.06538	6.9
97.10187	5.4
98.03691	0.4
98.98473	100.0
99.04457	0.4
99.08089	0.5
102.97208	0.4
104.26687	0.4
105.07046	1.7
106.37567	0.4
107.04969	1.7
107.08601	8.9
109.06511	1.5
109.10159	3.7
111.00813	48.2
111.04450	8.8
111.08101	3.5
111.11716	0.5
113.02390	0.5
116.99502	3.1
117.07047	1.0
119.08603	1.7
121.06499	2.1
121.10160	6.9
123.04469	0.7
123.08076	1.4
123.11729	2.0
125.05991	2.9
125.09620	4.3
126.03156	3.5
127.03926	11.9
131.08603	2.0
133.06465	0.5
133.10124	1.5
135.04474	0.5
135.08055	2.7
135.11713	1.7
137.06049	0.3
137.09621	1.2
137.13148	0.4
139.03912	23.7
139.07552	2.2
139.08485	0.4
139.11206	0.9
140.01086	0.9
140.04691	0.4
145.10143	1.4
147.11676	1.3
149.06004	1.0
149.09616	2.7
149.13274	5.3
151.07556	1.3
151.11215	0.7
153.05457	1.5
153.06783	0.5
153.09140	2.6
157.08612	0.9
159.11783	0.7
161.13278	0.7
163.07544	2.2
163.11142	1.0
163.14824	6.0
167.07094	2.5
167.10663	1.2
167.14323	1.4
171.10156	1.5
171.11597	0.5
173.09625	0.5
173.13310	2.3
174.99208	2.8
177.09201	0.5
181.08629	4.2
181.15868	1.5
185.11781	0.8
187.14795	0.8
191.10706	0.7
191.14310	4.7
195.10167	5.4
205.15884	1.6
209.11862	3.5
209.15370	11.9
215.10809	0.6
221.25404	0.5
227.16446	5.0
233.11589	0.6
233.15392	2.3
251.16441	48.1
270.31775	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.3
55.01880	0.7
55.05514	3.3
56.96569	2.2
57.03430	0.3
57.07070	1.0
59.04999	0.9
61.02893	0.3
67.05508	3.7
69.03426	1.5
69.07066	2.5
69.78751	0.7
69.79182	1.1
71.04996	2.8
71.08637	2.6
77.01577	0.5
78.16149	0.3
79.05497	3.1
81.03418	0.8
81.06589	0.4
81.07059	6.4
83.04986	10.4
83.08618	0.9
85.02914	1.0
85.06548	1.1
87.04462	0.3
91.05488	2.1
91.08163	0.3
92.76725	0.3
93.07047	3.3
95.04965	1.4
95.08614	5.8
96.75776	0.3
97.02904	0.7
97.06533	1.9
97.10142	0.6
98.05765	0.3
98.97575	3.3
98.98472	100.0
99.04484	0.5
99.08109	1.8
105.07021	1.8
107.04976	0.6
107.08605	4.0
109.06516	1.3
109.10162	3.4
111.08072	0.9
113.05998	0.5
116.98640	2.2
116.99517	3.4
117.07024	0.6
119.08595	2.4
121.06499	0.8
121.10154	2.9
123.08102	1.2
123.11718	1.3
125.05947	1.4
127.07593	0.3
128.02341	0.3
128.06296	0.3
128.34833	0.3
128.98566	0.5
131.00157	0.6
131.08551	1.5
133.10143	1.2
133.43904	0.3
134.99657	0.8
135.08063	0.9
135.11702	1.4
137.06070	0.4
137.09650	2.1
137.13271	0.5
139.07574	0.3
140.01091	0.6
145.10121	1.8
147.08046	2.1
147.11711	0.8
149.09598	1.3
149.13278	0.9
151.07510	0.3
151.11211	0.4
155.14294	0.5
158.99673	1.6
159.08109	0.3
159.11726	1.1
161.13327	0.3
163.07567	1.0
163.11215	2.3
163.14900	0.4
166.07651	0.4
167.10646	0.4
173.01176	0.6
173.13283	0.6
174.99255	3.4
175.11180	0.7
177.00755	1.2
177.09155	0.4
177.12823	0.7
179.14371	1.1
181.12283	0.9
185.08522	0.3
187.08107	1.0
187.14818	0.8
191.02275	0.7
191.10703	0.6
191.14310	0.4
191.18008	0.4
193.12341	0.5
196.08597	4.0
196.58788	0.9
201.00745	0.3
203.09604	0.9
205.09135	1.7
205.15884	0.8
208.08681	0.6
215.10657	0.3
215.14333	0.6
215.17981	0.7
217.09097	2.4
217.59325	0.6
219.01814	0.6
228.59982	0.5
229.11066	0.3
230.08118	4.0
230.58261	1.1
233.15321	3.1
233.19044	0.9
239.08621	3.5
239.58801	1.0
250.59462	1.2
251.10416	0.7
251.12669	0.5
251.13588	0.3
251.16376	6.2
251.20139	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1644
Annotation	Sch 725434
Peak:m/z	Relative Intensity
50.76083	0.2
53.03947	0.4
55.05513	2.7
57.03431	0.3
57.07070	1.1
59.05002	0.5
59.98864	0.2
65.03971	0.3
67.05520	3.3
69.07074	5.7
70.29201	1.1
71.04996	0.8
79.05511	1.5
81.03415	0.6
81.07059	3.9
83.04987	2.5
83.08626	1.9
85.06545	1.1
91.05477	2.4
93.07054	3.3
95.04976	0.6
95.08614	6.7
97.06554	0.7
97.10166	0.3
98.98474	33.8
105.07038	4.2
107.08604	6.2
109.06521	0.8
109.10174	5.7
111.00802	0.5
111.08096	0.6
113.06017	0.9
116.99526	1.0
117.07016	1.0
119.08592	17.3
121.06490	0.3
121.10153	4.0
123.08071	1.8
123.11724	0.6
125.06022	0.8
131.08583	2.7
133.10139	5.0
135.08025	2.3
135.08847	0.2
135.11679	1.5
137.05988	0.3
137.09645	1.3
139.07532	0.8
140.01166	0.3
141.05434	0.3
142.43225	0.2
143.08571	0.6
145.06563	0.3
145.10127	4.8
147.11705	3.0
149.06053	0.4
149.09584	1.6
149.13242	0.5
151.07567	0.7
153.12793	0.3
157.10202	0.3
158.10934	0.3
159.08089	0.7
159.11682	1.9
161.09657	0.3
161.13286	2.5
163.07556	3.3
163.11172	0.8
163.14838	1.0
165.09111	0.4
167.10719	0.3
172.12473	0.5
173.09642	0.6
173.13292	1.2
174.99251	1.1
175.11281	0.7
177.09126	1.0
177.16412	1.2
187.14839	5.2
189.16377	1.6
191.10674	0.8
191.14343	0.3
193.12231	0.7
195.10164	0.4
197.13248	0.4
205.15906	1.1
207.13806	0.4
215.14340	0.8
215.17903	0.4
223.13354	0.4
233.15431	3.6
251.16443	100.0
252.16771	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1643
Annotation	Sterpuric acid
Peak:m/z	Relative Intensity
53.03941	0.7
55.01888	0.8
55.05513	2.2
57.03424	0.9
57.07076	0.7
59.05008	5.0
62.46689	0.4
65.29044	0.5
67.05511	5.3
69.03434	6.6
69.07080	2.9
69.73021	1.9
69.73432	0.8
71.05003	5.3
79.05500	4.1
81.07058	7.4
83.04988	2.2
83.08624	1.1
85.02917	0.5
85.06531	1.3
87.04469	0.5
91.05477	4.5
93.07048	8.8
95.04975	3.4
95.08613	5.9
97.02882	0.6
97.06519	2.3
98.98472	100.0
105.07040	6.0
107.04950	0.9
107.08599	7.1
109.06557	2.4
109.10162	9.2
111.04446	6.3
111.08120	0.8
113.06010	1.0
116.99547	2.7
117.07005	1.4
119.08587	10.3
121.06484	2.0
121.10152	8.9
123.08081	2.1
123.11720	3.6
125.05985	1.4
125.09612	3.0
127.11221	0.5
131.08594	3.0
133.10143	4.0
135.08066	1.7
135.11708	4.8
137.09633	10.9
137.13281	1.2
139.07573	0.5
139.11201	1.0
145.10129	6.4
147.08058	3.0
147.11705	2.0
149.09630	2.5
149.13249	0.6
151.07538	0.6
151.11224	0.5
153.01857	0.6
153.09105	0.7
153.12779	1.3
159.08073	1.0
159.11722	1.6
161.09673	1.6
161.13322	0.8
163.07550	2.3
163.11174	5.2
165.09143	6.5
173.09615	1.0
173.13254	2.3
174.99231	3.6
175.11169	0.6
175.14851	0.5
177.09174	0.9
177.16431	0.9
181.12262	2.2
187.11159	0.6
187.14859	2.6
191.10739	1.5
191.14386	1.9
193.08752	0.7
205.15936	3.9
215.10983	0.6
215.14340	2.4
223.16948	6.1
233.11754	0.7
233.15372	6.6
233.19016	0.6
251.10788	0.6
251.12880	1.4
251.16389	12.3
251.20291	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1645
Annotation	Deodardione
Peak:m/z	Relative Intensity
53.03947	0.4
54.91351	0.3
55.01871	1.9
55.05514	9.1
57.07082	2.5
65.03953	0.4
67.01865	1.2
67.05508	3.6
67.68185	0.3
68.99796	12.7
69.03436	0.7
69.07072	11.5
71.04994	0.8
71.08635	0.9
77.01595	0.4
79.05501	3.4
80.47770	0.3
81.03436	0.7
81.07059	5.5
81.07517	0.5
83.04984	2.2
83.08624	6.6
85.02887	0.4
85.06572	0.5
87.00864	0.5
91.05496	1.0
93.07037	4.3
95.04974	0.9
95.08612	3.6
97.02897	1.0
97.06539	2.9
97.10159	2.4
98.03671	0.4
98.98472	100.0
105.07043	0.9
107.04967	1.0
107.08607	4.9
109.06515	0.9
109.10189	1.5
111.00811	21.9
111.04449	4.3
111.08090	1.7
111.11750	0.5
116.99503	2.3
117.07035	0.5
119.08575	1.4
121.06499	1.0
121.10149	3.5
123.08057	0.9
123.11720	1.0
125.05985	1.3
125.09640	1.9
126.03120	1.9
127.03928	5.7
131.08583	1.1
133.10095	0.6
135.08066	1.5
135.11705	0.9
137.09706	0.5
139.03903	10.8
139.07567	1.1
139.11176	0.4
140.01082	0.9
140.26987	0.3
145.10127	0.8
147.11682	0.4
149.05931	0.5
149.09616	1.3
149.13249	2.8
151.07567	0.3
151.11171	0.3
153.05476	0.8
153.09135	1.0
157.08586	0.4
163.07578	1.4
163.11186	0.4
163.14844	2.6
167.07033	1.3
167.10596	0.7
167.14317	0.8
171.10155	0.5
173.09709	0.4
173.13240	1.2
174.99260	3.2
181.08650	1.7
181.15907	0.4
185.11810	0.5
191.10696	0.6
191.14323	2.4
195.10158	2.2
195.11671	0.6
205.15883	1.0
209.11716	1.2
209.13454	0.5
209.15327	5.3
227.16461	1.7
233.11748	0.4
233.15321	0.7
251.10493	0.7
251.16400	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	251.1643
Annotation	Deodardione
Peak:m/z	Relative Intensity
53.03941	1.4
55.01874	6.5
55.05515	30.7
57.03441	1.2
57.07079	7.6
59.05001	1.1
65.03942	1.2
65.08852	0.4
67.01875	5.3
67.05506	13.3
68.99795	43.4
69.03194	0.3
69.03439	3.3
69.07071	45.5
71.01328	0.6
71.04995	1.8
71.08625	3.4
73.06538	0.6
74.63701	0.4
77.01589	0.6
79.05498	10.3
81.03437	2.0
81.06571	0.8
81.07061	20.1
83.04983	9.2
83.08624	25.2
85.02895	0.8
85.06538	2.0
85.10184	0.8
87.00859	2.1
87.04494	0.6
88.07640	0.5
91.05486	3.4
93.03394	0.5
93.07046	16.9
95.04969	2.4
95.08613	13.7
97.02903	4.3
97.06532	9.9
97.10181	8.2
98.03670	1.1
98.98471	100.0
99.04480	0.9
99.08112	1.3
103.06987	0.5
105.07043	2.8
107.04948	2.2
107.08600	15.1
108.05760	0.4
109.02885	0.7
109.06505	2.2
109.10159	6.7
111.00811	82.4
111.04450	13.1
111.08090	5.9
111.11750	1.3
113.02370	1.5
113.06052	0.7
116.99504	2.6
117.07033	1.7
119.08596	2.8
121.06514	2.9
121.10152	11.0
123.04442	1.0
123.08099	2.5
123.11704	3.4
125.06010	4.7
125.09637	7.2
126.03144	7.7
127.03922	19.2
129.07002	0.6
131.08537	3.7
133.10150	2.1
135.04468	0.6
135.08080	5.4
135.11700	2.9
137.09662	1.7
137.13257	0.7
139.03909	39.3
139.07516	3.4
139.11185	1.7
140.01089	1.1
140.86121	0.4
144.37361	0.4
145.06444	0.6
145.10182	2.0
147.11702	2.3
149.02344	0.4
149.05952	2.1
149.09653	3.4
149.13260	9.9
151.07523	2.0
151.11247	1.3
152.37350	0.4
153.05498	2.8
153.09126	3.1
153.12737	0.6
157.08594	1.5
159.11708	1.1
161.13254	1.2
163.07550	2.4
163.11191	1.6
163.14835	9.7
165.12814	0.7
167.07072	4.2
167.10715	2.0
167.14273	2.2
171.10161	2.6
173.09641	0.4
173.13277	5.0
174.99231	3.5
177.09151	0.9
177.16457	0.5
181.08603	6.4
181.10086	0.4
181.12213	0.6
181.15869	1.8
185.11752	1.7
187.14847	1.3
191.08891	0.4
191.10695	1.4
191.14319	7.6
195.10168	8.8
195.11845	0.7
205.15891	2.9
207.44122	0.4
209.11778	5.8
209.15346	16.7
221.67958	0.4
227.16420	7.5
227.18495	0.7
229.17056	0.5
233.15410	2.3
251.16429	77.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1642
Annotation	Sterpuric acid
Peak:m/z	Relative Intensity
50.09292	0.4
55.01876	0.7
55.05505	2.6
57.03432	0.6
57.07074	1.1
59.05002	6.9
65.03931	0.8
65.78165	0.4
67.05508	7.2
69.03431	6.3
69.07065	3.8
69.92236	0.4
71.04633	0.6
71.04995	5.8
77.01607	0.4
79.05492	4.6
81.03406	0.6
81.07058	11.9
83.04986	2.3
83.08635	1.2
85.02908	0.6
85.06544	1.5
87.04472	0.8
91.05477	4.4
93.07049	8.8
95.04977	3.9
95.08606	7.4
97.02921	0.7
97.06528	2.1
97.10178	0.6
98.21510	0.8
98.98466	100.0
99.08099	0.7
103.05451	0.4
105.07024	8.2
107.04948	1.2
107.08590	9.4
107.09297	0.8
108.44446	0.4
109.06519	2.7
109.10159	9.1
111.04434	6.5
111.08083	1.6
113.06003	1.1
115.03959	0.8
115.05465	0.4
116.99526	2.6
117.07026	1.7
117.09145	0.5
119.01856	0.4
119.08584	11.5
121.06527	2.8
121.10144	9.6
123.08099	2.5
123.11703	3.6
125.05974	2.6
125.09627	2.3
127.11211	1.2
131.08569	3.6
133.06529	0.7
133.10130	4.1
135.08049	2.1
135.10019	0.7
135.11682	5.9
137.05986	0.5
137.09616	11.5
137.13254	1.1
139.07516	0.8
139.11150	1.0
140.01064	0.9
141.12794	0.5
143.08575	0.7
145.06500	0.6
145.10129	6.8
147.08026	3.5
147.11719	1.8
149.06013	0.5
149.09654	2.4
151.11185	0.5
152.04770	0.5
153.09103	1.1
153.12762	2.0
157.10239	0.5
159.08047	0.7
159.11696	1.1
159.29681	0.5
161.09680	0.9
163.07541	2.6
163.11192	5.8
165.09113	7.8
167.10733	0.7
171.11635	0.9
173.09639	1.5
173.13264	2.2
174.99213	4.1
175.11160	0.8
177.09157	1.0
177.16394	0.9
181.12260	3.3
187.11160	1.0
187.14854	3.1
191.06978	0.6
191.10632	2.0
191.14267	2.9
193.08571	0.4
195.10062	0.4
197.13246	1.0
203.14270	0.5
205.15884	5.6
215.10707	0.6
215.14342	2.8
223.16927	6.9
229.02422	0.5
233.11687	1.4
233.15378	7.9
251.05009	0.6
251.12798	1.4
251.16451	13.6
251.20270	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0515
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	10.6
57.03444	2.1
57.45854	1.2
58.99865	1.7
61.02916	5.9
64.22851	1.1
69.03423	2.6
69.72311	7.1
70.98106	1.4
70.99857	2.9
72.10341	1.0
73.01431	1.4
73.02917	1.8
77.00908	2.1
80.47291	1.1
81.03368	1.0
82.01450	23.9
85.02911	3.2
86.99377	1.2
91.02461	1.3
97.02902	3.1
98.97566	6.3
98.98479	18.4
98.99111	1.3
100.02489	47.1
101.00894	1.3
109.05027	1.1
110.01312	1.1
110.97606	1.6
112.99136	1.4
116.98624	2.8
118.03522	14.7
119.01874	4.2
121.01675	1.5
126.98756	9.2
127.03912	1.3
128.98602	1.1
131.00166	1.5
131.01907	2.0
131.79672	1.2
133.03513	2.1
137.02919	1.4
144.98758	2.3
144.99835	29.0
145.03491	2.0
147.01392	2.5
147.04347	1.2
148.02052	1.5
148.04729	2.2
150.00388	3.3
150.01811	1.4
154.04724	2.0
154.54787	1.7
154.98256	3.2
155.05513	2.0
157.02623	2.0
158.99779	1.1
159.01382	1.7
159.69017	1.2
161.02997	1.8
161.05574	1.3
163.00894	2.7
163.03885	2.5
164.02612	1.2
168.01418	14.3
170.06078	2.4
172.99332	38.1
173.00856	2.3
175.00925	1.1
177.00983	2.5
177.02469	8.8
177.99863	4.8
185.03136	1.4
186.02380	1.8
187.00899	5.3
187.04620	1.3
188.97084	1.4
191.00409	18.6
191.02071	2.2
195.03593	1.5
196.00938	100.0
197.01065	1.7
205.01962	7.8
205.03625	1.5
210.02431	5.4
212.02600	2.1
214.01979	33.8
219.02557	3.2
223.03069	2.1
228.03564	46.0
246.04659	7.1
251.04601	4.3
269.03070	1.3
269.05499	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	250.1805
Annotation	Nupharidine
Peak:m/z	Relative Intensity
53.03931	1.3
55.05504	3.5
56.96561	1.1
57.03433	1.9
60.04542	0.9
67.05511	7.0
68.05026	1.5
69.03422	2.3
69.07075	4.3
70.06586	2.4
71.04996	1.0
71.56822	1.1
79.05505	4.8
81.05802	1.2
81.07061	5.9
82.06596	0.7
83.04959	1.7
85.02917	1.6
85.06536	2.2
87.95640	0.8
91.05486	8.7
93.07046	7.2
94.06563	0.9
95.04990	4.4
95.08614	7.2
96.08138	31.0
97.02876	1.4
97.06544	8.2
98.06053	0.8
98.98475	46.0
99.08088	2.0
105.07037	5.3
107.08605	7.8
108.08134	3.4
109.06517	2.1
109.08955	1.3
109.10168	9.8
110.06021	1.4
110.09677	1.4
111.08078	1.5
111.72177	0.8
112.07619	2.8
114.09143	3.1
115.05410	1.0
116.99522	1.8
117.07008	1.7
118.06536	1.0
119.07320	2.0
119.08560	5.0
120.08120	1.2
121.06498	2.5
121.10183	4.2
122.01010	0.9
122.06010	2.2
122.07264	0.9
122.09674	11.5
123.08047	2.3
123.11724	2.7
124.07593	2.0
124.11251	2.0
131.08559	3.6
132.08104	1.0
133.06487	1.1
133.10127	7.7
134.09668	94.3
135.08076	5.2
135.11681	2.4
136.11214	3.2
137.06021	1.9
137.09627	11.1
138.09132	1.4
140.10696	1.1
145.10124	1.8
147.11682	6.1
148.11208	3.7
149.13274	4.0
152.10687	1.0
154.12320	5.9
155.10660	0.8
157.10112	1.3
159.11674	2.3
160.11209	1.8
160.81883	0.8
161.09630	1.5
162.12770	2.9
163.14914	1.9
164.10753	1.1
166.12274	8.5
173.13313	5.0
174.12849	0.9
174.99284	1.1
175.11150	1.1
176.10628	0.9
177.12758	1.9
187.14822	0.9
190.15942	7.8
191.14331	17.4
192.13759	2.0
207.16170	1.4
208.17004	3.0
208.32521	0.9
215.14345	1.7
232.17007	7.4
233.11728	1.0
233.15411	4.3
250.18044	100.0
250.56058	0.8
251.18483	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	249.1487
Annotation	(Z)-5-(2,6-Dimethyl-5,7-octadienyl)-3-furancarboxylic acid
Peak:m/z	Relative Intensity
50.31856	0.8
53.03936	3.0
55.01856	1.5
55.05512	4.6
57.03438	1.8
57.07056	2.7
61.02911	1.4
61.96972	0.8
64.22407	0.9
64.58720	0.8
67.05505	13.8
69.03436	16.9
69.07053	3.8
70.80753	1.0
71.04985	2.0
71.19695	0.9
71.56985	1.1
79.05500	9.3
81.03426	6.9
81.07062	58.8
83.04976	3.4
83.08611	1.8
85.02905	18.3
85.06535	1.6
87.00815	4.0
91.05474	8.2
93.07057	9.1
95.04965	4.0
95.08615	13.4
97.02902	7.9
97.06545	2.7
99.04454	3.8
103.05455	1.1
105.01862	2.8
105.03382	1.4
105.07034	10.4
107.04945	2.8
107.08595	8.7
109.02901	9.4
109.06498	2.8
109.10163	10.4
111.04456	4.8
111.08042	2.9
113.05989	0.8
115.05443	1.4
117.07014	3.0
119.08591	12.1
120.89326	0.9
121.06493	3.8
121.10130	5.8
123.04399	2.0
123.08062	3.1
123.11716	85.6
125.05994	1.1
127.03914	10.6
128.06248	1.7
129.07018	5.0
130.68185	0.9
131.04993	0.8
131.08604	4.9
133.06483	3.1
133.10104	6.0
135.04404	1.6
135.08046	4.0
135.11694	1.6
137.05957	3.2
139.07565	1.1
139.11107	0.9
142.07785	1.6
143.08556	4.1
145.04968	1.8
145.06490	2.0
145.10138	7.7
147.04396	1.8
147.08029	2.7
147.11696	4.7
149.05981	1.4
149.09590	3.1
151.07541	2.3
153.05415	4.9
156.09346	1.0
157.10143	4.1
159.11711	4.5
161.09671	6.4
161.13261	4.1
163.11214	1.7
165.09169	1.5
167.07071	1.0
171.11717	1.6
173.09535	1.2
173.13268	1.3
175.07541	3.1
175.11263	1.6
175.14810	5.7
185.09657	1.9
185.13258	6.0
187.14786	2.6
189.09116	3.8
189.12799	6.6
191.10626	0.9
193.08638	1.5
203.07138	1.3
203.10629	2.8
203.14313	6.6
213.12762	2.8
231.10138	1.9
231.13802	12.9
241.24734	1.0
249.14871	100.0
249.18715	3.7
250.15260	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29619	0.5
55.01876	0.6
56.05056	0.6
57.07084	0.8
61.81836	0.6
69.03425	2.4
70.85173	1.7
72.04520	17.6
79.05518	0.8
85.02885	3.7
91.05493	3.9
95.01281	0.6
95.04966	1.0
95.08630	0.6
100.03989	1.1
102.27135	0.6
105.07027	1.6
107.04977	1.8
107.08532	0.7
109.02939	1.0
115.05463	4.2
117.05786	3.4
117.07017	2.2
118.05042	21.8
118.06545	38.1
119.04945	6.9
119.08543	0.7
123.04459	1.5
127.03901	1.3
129.06949	1.3
130.06493	1.3
131.04962	0.7
132.08099	81.1
133.06587	1.1
133.08472	0.7
135.04448	1.6
138.86955	0.7
139.03812	0.7
142.06505	3.9
143.04939	1.5
143.07314	4.2
144.04453	0.7
144.08104	17.9
146.06018	77.5
147.04419	23.9
147.06227	1.0
158.08418	1.0
159.09206	0.9
160.07614	1.0
161.06023	2.6
170.06013	6.4
175.07562	1.7
177.05402	0.9
188.07077	100.0
189.05470	2.5
189.07303	1.1
203.06972	1.1
203.11865	5.0
206.11819	0.6
220.98915	0.6
231.02875	1.0
231.06569	1.3
231.13704	0.8
249.03906	0.8
249.07523	2.5
249.12387	15.5
249.14853	0.8
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
53.03936	3.3
55.01881	5.6
55.05505	3.3
57.03446	3.3
57.07064	1.1
61.02931	1.3
67.05502	10.4
68.99791	2.1
69.03069	1.7
69.03432	27.0
69.07076	4.2
71.04993	4.6
71.57036	1.3
73.00878	0.8
73.02914	2.8
78.36173	0.8
79.05497	14.9
81.03418	12.7
81.07059	10.2
83.01344	1.6
83.04971	2.0
83.08647	1.5
84.31696	0.9
85.02909	30.7
85.06532	1.3
87.00830	13.0
89.55025	0.9
91.05484	26.8
93.07065	6.0
95.04958	4.5
95.08598	6.8
97.02898	16.4
97.06565	1.3
97.10163	0.8
99.04462	10.1
99.08085	1.0
103.05485	2.7
105.01855	5.5
105.03390	1.6
105.07033	11.7
107.04949	3.7
107.08590	6.1
109.02875	11.0
109.06524	2.9
109.10161	4.3
111.08102	0.9
115.03930	1.1
115.05457	23.8
116.06232	3.1
117.07032	21.6
119.04970	1.3
119.08585	8.6
121.06531	2.3
121.10145	3.9
123.08096	1.8
123.11712	1.8
125.06001	1.6
127.03922	17.8
128.06235	10.5
129.07008	100.0
130.07788	2.8
131.04919	2.0
131.08575	33.0
133.06496	16.2
133.10114	5.4
135.04424	34.2
135.08064	1.8
135.11742	1.6
137.05978	3.0
137.09561	1.6
141.06992	2.4
142.07790	16.9
143.08531	4.6
145.04973	2.8
145.06458	2.5
145.10124	2.4
147.08046	8.5
147.11732	3.3
149.05931	2.6
152.06281	1.1
155.04913	5.3
155.06018	1.2
155.08553	1.7
157.06516	12.0
157.10130	77.9
159.02902	2.4
159.11702	6.4
161.05975	6.8
161.09639	4.2
161.13257	1.4
165.06946	0.9
167.08556	6.7
169.10167	1.8
173.00114	1.0
175.07558	77.8
175.10985	4.8
175.14856	1.6
185.09624	54.5
187.11177	4.5
189.09105	1.8
189.16380	2.7
193.10143	1.2
193.12172	1.1
203.10672	46.2
205.12241	2.2
213.09140	3.9
213.12625	1.3
213.16354	1.2
231.02855	1.5
231.05078	1.3
231.10167	38.8
231.13571	4.9
231.17412	1.3
231.20955	1.3
249.11185	24.6
249.14723	6.4
249.18489	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	249.1124
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
53.03941	2.1
55.01867	3.6
55.05516	5.0
55.05979	0.7
57.03433	2.6
59.05001	1.8
61.02929	2.2
65.03925	0.8
67.05511	7.3
68.99792	1.3
69.03079	1.4
69.03436	24.5
69.07063	1.9
70.13767	2.4
71.05003	4.4
72.68157	0.7
73.02920	2.2
77.03945	0.7
79.05047	1.3
79.05495	13.8
81.03426	11.3
81.07058	9.5
83.01360	1.8
83.04979	2.4
83.08633	1.1
85.02424	1.5
85.02915	22.7
87.00846	9.6
91.05488	30.4
93.07069	5.9
95.04975	3.0
95.08625	5.4
97.02898	12.5
97.06534	1.7
97.10140	0.7
99.04478	7.4
103.05495	1.9
105.01879	3.1
105.03415	2.6
105.07043	10.9
107.04980	4.7
107.08619	5.1
109.02883	7.9
109.06514	2.0
109.10180	3.6
111.04427	0.9
113.06014	0.8
113.59100	0.7
115.05469	19.1
116.06228	3.4
117.07029	19.6
119.08585	6.9
121.06522	1.4
121.10146	2.7
123.04462	0.8
123.08038	0.7
123.11698	1.5
125.06028	1.2
127.03922	13.1
128.06216	10.0
129.07016	100.0
130.07750	1.4
131.04930	2.2
131.08578	32.2
133.06508	16.8
133.07324	0.4
133.10155	4.0
135.04425	31.0
135.08023	1.4
135.11693	1.4
137.05959	2.3
137.09636	0.9
141.06993	2.6
142.07790	14.5
143.04955	1.1
143.08653	4.5
145.04958	2.5
145.06514	2.9
145.10132	1.1
147.04379	1.1
147.08061	9.6
147.11690	3.0
147.16309	0.8
149.06007	1.9
149.13277	1.0
154.07854	1.3
155.04930	4.5
155.06006	0.9
157.06532	13.1
157.10141	77.3
159.07993	1.0
159.11710	7.1
161.05989	6.6
161.09625	4.8
161.13289	1.8
163.11185	0.8
165.07025	1.7
167.08551	6.5
169.10095	1.9
171.11688	0.8
172.95128	0.9
173.05983	0.9
175.07565	75.3
175.11020	4.4
185.09634	48.9
187.11156	4.3
189.09132	1.3
189.12898	1.0
189.16463	1.3
192.42538	0.7
203.10681	42.5
203.18095	1.2
205.12219	2.5
207.11809	0.7
213.09117	6.2
213.16405	1.2
221.11729	0.8
231.02864	1.3
231.05098	1.8
231.10176	35.3
231.13907	2.0
231.17455	1.9
249.11195	21.2
249.14952	3.2
249.18512	7.3
249.22331	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.9
53.03948	9.8
55.01868	10.4
55.05517	6.0
57.03439	12.2
57.07074	1.8
59.04985	1.9
61.02925	5.7
67.05506	7.2
68.99785	5.9
69.03432	87.8
69.07065	4.0
71.01347	1.9
71.04992	10.0
71.56184	1.2
71.56541	0.9
73.02923	9.8
79.05489	7.1
81.03421	52.2
81.07050	13.6
82.03695	0.9
83.01350	2.1
83.04983	6.5
83.08621	4.5
85.02908	100.0
85.06568	1.3
87.00834	42.4
87.04485	1.6
91.05463	5.4
93.07049	7.7
95.04971	25.6
95.08603	7.7
97.02894	46.6
97.06533	1.9
97.10195	1.2
99.04454	29.6
101.02402	2.6
105.01873	20.7
105.07040	6.3
107.08605	8.1
109.02882	35.2
109.06534	1.6
109.10181	4.6
111.08091	1.8
115.03931	1.8
116.98717	1.2
117.07003	1.7
119.08611	7.1
121.06490	1.4
121.10133	4.3
121.20404	0.9
123.04404	2.1
123.08073	2.8
123.11705	2.5
125.05966	1.0
127.03919	67.5
129.01851	4.1
129.07045	0.9
131.08560	2.7
133.06429	1.3
133.10141	5.7
135.08055	2.4
135.11674	2.5
137.06087	1.4
137.09633	2.4
142.07777	1.3
143.08548	1.8
145.04955	8.4
145.06073	1.0
145.06450	0.8
145.10129	2.2
147.02876	1.4
147.04431	1.2
147.08073	3.6
147.11696	3.5
149.09590	1.9
149.13248	1.2
151.07558	1.1
151.11121	1.5
156.09361	1.1
157.10132	1.9
159.02888	5.1
159.11728	0.9
161.09654	1.5
161.13266	2.1
161.56996	0.9
165.09123	1.8
170.10876	0.9
171.02913	1.8
171.11647	1.4
175.07491	1.2
175.11150	1.6
175.14824	2.0
185.13304	2.1
189.03949	1.5
189.09116	1.2
189.12775	1.6
189.16411	2.2
191.10655	2.2
193.10254	1.1
193.12241	1.4
203.14310	1.9
207.10217	1.2
207.13788	4.9
213.03952	2.4
213.16336	1.1
220.08894	0.9
231.02869	1.9
231.04790	4.6
231.13713	4.4
231.17369	3.2
231.21257	0.9
249.05562	1.0
249.11101	2.0
249.14801	18.0
249.18570	8.8
249.22333	4.5
250.09698	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67432	3.8
53.03939	15.4
55.01863	9.2
55.74224	3.5
57.03435	13.8
61.02930	6.0
68.99784	7.0
69.03075	6.4
69.03432	100.0
69.48640	23.5
71.04993	9.2
73.02911	4.4
76.56998	3.9
81.03422	50.8
81.07045	4.1
83.01313	3.5
85.02909	87.0
87.00845	38.8
93.07030	6.5
97.02898	51.4
99.04459	32.6
105.01867	12.1
105.07087	5.0
105.80724	3.7
107.08547	5.0
109.02874	39.8
109.04861	5.0
118.26277	3.5
119.08549	6.8
127.03931	70.5
129.06880	4.7
145.04955	9.1
147.08090	4.0
153.26369	3.6
159.02876	5.9
162.99132	3.6
163.36090	3.6
171.11757	4.1
197.84947	4.5
200.59204	3.9
210.11530	3.9
231.05000	5.9
231.17444	4.9
249.14810	9.2
249.18512	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	249.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.3
55.01870	3.7
55.05507	11.9
57.03436	8.7
57.07060	3.8
59.04983	2.6
61.02937	5.0
67.05504	14.8
68.43303	2.0
68.99788	6.3
69.03435	92.5
69.07053	8.9
69.39957	4.4
69.40363	15.2
71.04987	11.0
73.02913	3.9
79.05503	15.2
81.03430	46.4
81.07063	21.6
83.04982	36.4
83.08626	6.4
85.02909	100.0
85.06545	4.3
87.00839	27.4
88.01099	2.7
88.73019	2.1
91.05470	15.1
93.07063	17.2
95.04977	6.0
95.08602	14.3
97.02894	36.7
98.97598	3.1
99.04465	21.2
105.01892	5.7
105.07034	22.4
107.05029	3.1
107.08599	17.6
109.02886	30.7
109.06556	4.8
109.10152	13.8
115.05453	4.1
117.06993	5.0
119.08591	20.3
121.06486	3.2
121.10146	11.8
123.04443	2.9
123.08071	6.8
123.11697	6.1
125.05984	3.6
127.03931	59.4
129.01877	3.0
129.07014	21.8
131.08540	9.6
131.17317	2.5
133.06477	4.3
133.10139	12.5
135.08060	7.9
135.11714	8.5
137.09671	3.8
140.81499	2.0
142.07764	4.4
143.08607	4.3
143.49799	3.1
145.04915	3.4
145.10092	7.0
147.08049	15.1
147.11690	5.4
149.09633	5.9
151.07573	8.7
151.11176	4.0
153.09103	2.3
157.10138	13.9
159.08125	2.8
159.11716	4.4
161.09653	6.4
161.13274	4.2
163.11159	2.5
171.11700	3.5
175.07541	5.4
175.11145	6.6
175.14731	3.1
175.36354	2.2
181.01454	2.5
185.09576	4.4
185.13300	4.6
189.09106	3.2
189.12712	7.1
189.16414	4.5
203.10767	11.0
203.14362	4.9
213.03929	2.7
213.12669	5.0
231.05008	5.4
231.10092	4.4
231.13824	10.7
231.17404	7.6
249.11063	4.6
249.12747	3.0
249.14842	32.7
249.18504	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	12.3
55.01847	7.0
55.05494	10.6
57.03434	13.2
59.04989	4.8
61.02913	8.5
64.21429	2.5
67.05496	13.5
68.99796	6.7
69.03432	90.3
69.07053	8.9
71.04987	11.2
71.56325	4.3
75.26618	2.8
77.36531	3.7
79.05497	24.8
81.03419	33.1
81.07066	17.3
83.04979	37.8
83.08606	3.3
85.02911	100.0
85.06532	5.0
87.00835	28.7
91.05466	16.2
93.07040	19.3
95.04962	9.7
95.08592	18.2
97.02904	34.2
97.06528	3.1
99.04454	19.6
105.01860	6.1
105.07030	25.0
107.04971	3.2
107.08578	17.8
109.02889	34.8
109.06542	5.8
109.10133	15.5
115.05467	6.3
117.07001	5.7
119.04957	3.1
119.08583	21.2
121.06535	3.0
121.10140	15.9
123.04405	3.5
123.08086	7.3
123.11765	4.0
125.05981	3.8
127.03922	63.8
127.11212	2.9
128.06180	2.8
129.01830	4.5
129.07008	17.7
131.08569	8.7
133.06514	4.3
133.10132	11.5
135.08046	6.3
135.11713	9.2
136.55870	3.0
137.09634	5.3
142.07794	3.5
143.08524	8.3
145.04953	7.0
145.10101	5.9
147.08060	11.5
147.11697	5.2
149.09593	5.3
151.07597	3.6
157.10139	19.7
159.11673	3.3
161.09618	6.0
161.13329	4.1
163.11247	2.9
171.11714	6.5
172.12550	2.9
175.07535	9.3
175.11192	7.3
175.14896	4.9
185.09615	13.0
185.13315	4.2
189.09161	5.2
189.12787	6.1
189.16438	4.2
203.10640	8.9
203.14334	6.9
213.12825	6.2
213.16312	3.5
221.05737	2.8
231.04996	5.1
231.10118	4.8
231.13823	13.8
231.17409	5.0
249.11224	3.4
249.14799	30.8
249.18454	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	249.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96195	1.8
53.03946	9.6
54.27760	1.9
55.01870	8.8
57.03431	7.9
61.02922	7.7
67.05531	2.7
68.99787	7.8
69.03436	93.9
69.41786	13.5
69.42198	5.5
71.04987	9.4
73.02913	4.2
79.05515	3.1
81.03422	54.6
81.07065	3.3
83.01336	2.8
83.04991	3.6
85.02909	100.0
87.00835	43.1
87.04453	3.2
88.62029	2.0
91.05498	2.3
93.07043	5.1
95.04988	2.5
95.08588	3.3
97.02896	44.1
99.04459	29.5
105.01855	13.7
105.07026	3.5
108.04501	4.9
109.02893	39.2
109.04823	4.8
109.06511	2.7
115.03963	2.0
117.07079	2.5
119.08596	3.5
121.10151	2.5
126.05493	2.2
127.03926	61.0
127.05871	4.4
129.01855	6.7
131.08589	2.5
133.10156	5.3
145.04979	5.7
157.10158	2.5
159.02925	4.3
165.07002	2.8
171.11761	3.0
175.07553	2.4
182.59489	2.2
189.12741	2.9
213.04010	3.1
231.04955	5.1
249.14899	8.4
249.18533	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	248.0919
Annotation	N-(4-Coumaroyl)-L-homoserine lactone
Peak:m/z	Relative Intensity
51.02382	0.8
53.03953	17.7
55.01878	5.3
65.03943	2.0
67.05175	0.9
67.05511	16.5
68.05019	1.0
68.06233	0.5
69.07059	1.2
70.03139	2.5
70.06572	0.5
79.05484	1.7
80.05044	0.8
81.03424	54.7
81.07051	1.1
82.06567	0.7
91.05471	1.1
93.05753	0.8
93.07047	0.8
94.06572	4.2
95.04975	9.8
96.04489	1.2
96.08084	0.6
98.06031	1.1
98.21494	0.6
106.02905	0.5
107.07322	0.6
108.08111	1.5
109.02886	10.3
110.06040	0.8
112.07603	1.9
117.05728	0.5
119.08521	0.7
120.08092	0.6
122.06041	10.9
122.09674	3.1
124.03955	2.9
124.07578	2.0
126.05508	1.3
130.06477	0.7
131.07323	2.2
136.07597	0.7
136.11261	1.1
140.07074	21.6
146.09639	2.1
150.09134	4.3
152.07080	48.9
159.06787	1.4
159.90030	0.5
164.07059	2.2
164.10738	6.4
174.09087	3.4
176.07072	2.1
177.07732	0.6
178.08632	9.1
192.10201	21.6
196.97775	0.6
202.08632	4.5
205.07315	0.9
206.08156	2.6
220.09698	37.1
230.08194	1.1
248.09201	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1333
Annotation	(E,E)-5-(2,6-Dimethyl-1,5,7-octatrienyl)-3-furancarboxylic acid
Peak:m/z	Relative Intensity
53.03944	5.3
54.54138	0.8
55.01860	3.0
55.05305	0.9
55.05522	10.3
57.03436	0.9
57.07068	1.9
63.98446	0.8
65.03928	1.7
67.05511	12.0
69.03432	1.9
69.07056	2.9
70.06581	3.2
70.10900	3.9
79.05501	64.8
81.03427	6.6
81.07063	21.8
83.04987	21.6
88.07642	4.4
89.07951	1.2
90.19865	0.8
90.69292	0.8
91.05490	22.7
93.07053	24.0
95.04984	9.8
95.08619	17.5
97.06548	12.9
99.04453	3.1
103.05483	1.9
105.03407	1.2
105.04538	1.2
105.07057	7.3
106.08654	2.9
107.04963	10.1
107.08583	3.3
109.06535	2.3
109.10163	1.0
111.04443	1.2
115.05450	3.7
117.07031	21.3
119.04948	2.1
119.08569	3.9
121.06520	18.5
121.10157	1.8
122.07317	1.0
123.04446	1.6
123.08096	8.9
125.06000	10.9
128.06227	1.2
129.07021	2.9
131.04889	1.1
131.08595	10.4
133.06490	2.5
133.10161	2.7
135.04405	1.3
135.08066	3.4
135.11819	1.3
141.06992	1.8
143.08620	1.5
145.06490	6.7
145.10143	6.0
147.08084	2.1
147.11842	0.9
149.09637	33.2
155.08595	2.0
157.10046	2.2
159.08086	3.6
159.11699	1.7
161.09660	1.1
163.07570	2.4
168.09358	1.5
173.05959	1.9
173.09645	2.2
173.13310	5.4
183.11697	4.9
187.11392	0.9
191.07042	9.0
201.12764	9.8
205.08551	4.8
220.15741	1.0
229.12297	6.9
229.23616	2.9
247.13329	100.0
247.24643	41.8
247.27223	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0966
Annotation	Phaeochromycin E
Peak:m/z	Relative Intensity
53.03935	2.9
55.01884	14.3
55.05498	1.6
57.03426	5.4
61.02922	4.5
67.05515	3.3
69.03425	7.7
69.23267	5.6
69.23695	9.9
71.01370	2.3
73.02908	3.4
79.05492	6.8
80.05023	2.6
81.03404	4.8
81.07044	3.7
83.04993	2.5
85.02907	24.3
91.05490	12.5
93.07046	6.7
95.04961	4.9
95.08599	1.9
97.02884	9.7
98.06073	2.0
98.20789	3.5
99.04443	2.1
101.02367	1.9
103.03936	1.9
103.05456	6.9
105.07057	11.8
105.95905	1.4
107.04964	77.7
107.08595	3.9
108.04501	9.4
109.02900	3.7
111.00747	1.8
111.04440	5.4
113.02392	2.1
113.04589	1.7
113.21957	1.6
115.05441	8.0
116.06235	3.2
117.07021	14.1
119.04959	1.8
119.08575	7.2
121.02867	14.6
121.03758	2.0
121.06519	21.8
121.10119	2.4
123.04459	3.6
125.05967	2.1
126.05520	4.0
127.03890	1.9
128.06223	4.1
129.06984	6.0
131.04944	29.6
131.08559	13.3
132.05687	2.5
133.06494	56.5
133.10147	3.0
135.04463	2.8
135.08025	2.4
139.03882	2.8
141.05473	2.6
141.07008	12.3
143.08556	2.7
144.05707	11.7
145.06491	67.5
145.10121	3.3
147.04468	2.4
147.08057	27.6
149.05954	1.9
153.05516	3.4
153.07013	8.6
155.04929	1.7
155.06047	4.7
155.08577	8.9
157.06500	39.2
158.07274	2.7
159.04445	13.1
159.08060	42.2
161.06006	14.6
161.09636	2.5
162.06738	2.6
163.03882	2.1
163.07529	5.9
163.26007	1.5
165.07025	23.6
168.05663	1.9
169.06480	13.2
169.07695	2.9
171.08057	13.1
173.05992	15.7
173.09679	15.4
173.13292	1.7
175.07513	12.7
180.89272	1.7
181.06470	4.8
183.08063	31.8
185.05998	12.1
185.09608	1.5
186.06665	2.2
187.07559	33.4
189.09096	1.5
191.07037	2.5
199.07530	15.5
201.05458	4.3
201.09113	29.8
203.07040	12.5
205.08578	2.9
211.07526	19.6
217.08713	2.2
229.08592	29.4
229.12282	5.6
247.05708	4.1
247.09673	100.0
247.13530	4.9
247.16916	5.3
249.54405	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0604
Annotation	hispidin
Peak:m/z	Relative Intensity
53.03960	0.7
55.01871	1.4
55.05520	0.7
57.03432	0.5
57.07092	0.5
57.76616	0.5
66.03816	0.5
66.66624	0.5
67.05511	1.8
68.99797	32.2
69.03451	1.2
71.01348	0.5
71.04990	0.9
71.56157	0.7
79.05507	1.8
81.03423	2.7
81.07062	1.8
83.01328	0.5
83.04990	1.3
85.02921	1.2
89.03937	1.7
91.05477	3.9
93.07043	1.8
95.04973	1.6
95.08638	0.8
97.02924	0.7
97.06526	0.7
99.33214	0.5
103.05477	3.1
104.65300	0.6
105.07014	3.3
107.04955	2.4
107.08634	1.1
109.02907	4.9
109.06545	1.1
111.00819	4.9
111.04446	3.5
115.05457	6.0
117.03389	3.7
117.07029	4.6
119.04956	1.0
119.08584	2.0
120.43236	0.5
121.02866	0.7
121.06537	1.3
121.10194	0.6
123.04448	3.1
123.08099	0.7
127.05448	2.9
128.06198	1.1
129.06989	1.5
131.04926	5.0
131.08577	1.9
133.06519	1.2
133.10149	1.1
135.04428	10.7
135.08076	0.7
137.02362	1.5
137.05988	4.6
139.05479	1.6
141.07037	0.6
143.04936	5.9
145.02859	7.8
145.06479	7.9
145.10150	1.9
147.08064	0.9
147.11722	1.1
149.06017	1.0
151.07561	0.9
152.06979	0.9
153.01843	1.5
155.04939	21.9
155.06061	2.5
155.08589	0.8
157.06491	1.1
157.10182	0.9
159.04425	4.2
159.08076	1.2
159.11719	1.1
161.05977	5.9
163.03917	75.5
168.09409	0.8
173.05997	16.2
173.09550	0.8
173.13231	1.1
175.03972	0.8
177.05486	3.6
183.04437	16.1
183.11674	0.9
185.10774	5.1
186.11549	11.6
187.03862	7.8
187.11153	0.7
189.09091	0.6
191.07033	1.0
200.04700	0.6
201.05486	24.9
201.14172	4.0
205.04994	1.9
211.03915	5.5
213.10255	1.5
214.11020	6.7
219.06497	12.6
219.14929	1.4
227.93768	0.5
229.04962	10.5
229.08595	1.1
229.13429	37.5
247.06033	100.0
247.14319	13.5
247.17044	2.4
247.20523	0.6
248.09151	1.3
263.16153	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0428
Annotation	Unknow
Peak:m/z	Relative Intensity
69.32159	4.7
69.32571	3.0
71.69255	0.8
79.06451	0.8
98.20779	1.7
98.21438	2.1
101.00889	1.9
103.00635	2.9
119.01914	2.9
121.01694	7.0
133.57513	0.9
143.01918	0.9
145.01649	1.0
147.03157	1.5
157.01637	1.3
159.03030	0.9
163.33539	0.8
167.03098	1.3
169.01576	1.6
175.02773	1.6
187.02704	4.0
199.02759	2.7
215.00328	1.7
229.03220	29.4
247.04283	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0601
Annotation	hispidin
Peak:m/z	Relative Intensity
68.99436	1.9
68.99789	30.4
69.68758	1.1
70.90723	2.7
81.03419	2.2
84.72005	1.1
89.03911	2.2
91.05447	2.4
103.05450	2.0
105.07042	1.1
106.66009	0.9
107.04904	1.0
109.02878	2.6
111.00794	4.6
111.04425	3.0
115.05462	6.0
117.03372	2.8
117.07014	3.8
121.06467	1.1
123.04411	2.9
127.05434	2.0
131.04907	3.7
133.06435	1.2
135.04402	9.5
135.08051	1.6
136.81767	1.0
137.02351	1.5
137.05978	3.9
139.05418	1.2
143.04933	5.6
145.02864	5.9
145.06436	6.0
155.03720	1.6
155.04921	21.3
155.06052	1.4
156.90028	1.1
159.04422	3.1
159.11676	1.2
161.05971	7.4
163.03908	67.7
173.05980	13.0
173.09734	1.3
173.13339	1.1
177.05473	3.2
183.04431	13.0
187.03920	7.1
187.11179	2.7
191.07028	2.0
201.05453	18.9
201.12663	2.2
205.04984	2.0
211.03986	5.0
219.06549	14.1
229.04976	8.3
229.12233	2.1
247.06020	100.0
247.13275	3.0
248.06406	1.1
252.95193	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0811
Annotation	Suberenone
Peak:m/z	Relative Intensity
53.03939	1.8
55.01626	1.4
55.01875	15.1
55.90153	1.2
57.03422	1.2
65.03944	2.2
67.05469	1.5
68.99769	2.4
69.03437	10.3
70.05296	5.7
73.95226	1.2
79.05495	1.5
81.03412	7.3
85.02911	11.6
87.00836	1.5
91.05467	5.6
95.04951	4.5
98.97598	3.1
103.05475	2.8
105.07026	5.0
107.04958	14.5
109.02867	2.2
115.05459	7.1
116.98604	1.7
117.07038	5.8
119.04977	7.2
119.08567	2.2
121.02891	21.3
121.06469	1.4
123.04418	2.4
125.02374	1.3
128.06226	22.6
129.07043	7.3
131.04947	12.6
131.08562	1.3
133.02855	4.1
133.06503	9.4
135.04373	2.0
141.07001	4.6
143.08554	11.3
144.05705	3.7
144.70773	1.2
145.06488	18.3
147.04407	19.8
147.08058	5.2
149.06009	3.3
151.03882	4.2
152.06227	13.4
153.07004	27.9
154.07730	1.6
155.06032	5.6
155.08615	1.2
157.06494	78.0
158.07242	1.2
159.04414	5.2
159.08049	2.2
161.06035	8.5
165.06987	4.8
168.49040	1.3
169.05069	1.2
169.06462	6.2
170.07233	1.8
171.04407	3.8
171.08055	65.2
173.05994	24.8
175.03960	2.5
175.07600	9.1
175.17216	1.6
177.05484	6.0
181.06473	41.3
182.07028	1.6
183.08063	4.6
184.05183	3.5
185.05980	64.3
186.06700	4.5
187.07436	1.8
189.05452	4.5
191.06946	1.7
197.06007	3.6
198.06972	1.5
199.07550	100.0
200.07875	2.2
201.05481	23.7
201.09186	2.2
202.06145	1.6
203.07045	20.3
209.05934	7.8
217.04918	1.3
217.08696	7.1
223.04404	1.9
227.07034	47.6
228.07532	1.4
245.04549	8.1
245.08098	60.1
245.11861	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	245.081
Annotation	Suberenone
Peak:m/z	Relative Intensity
55.01878	31.0
56.96549	2.4
57.03418	2.2
58.84241	1.1
65.03934	1.5
67.05482	1.0
68.99796	1.1
69.03436	2.1
71.08752	2.1
79.05478	2.3
81.03419	4.4
82.09190	0.9
84.08112	2.9
85.02882	3.3
86.58948	0.8
91.05486	4.9
95.04957	1.7
97.02886	1.6
98.97555	3.1
99.02666	2.7
100.07572	2.1
100.11211	1.0
103.05463	2.0
105.03392	1.0
105.07000	3.7
107.04942	13.4
109.02882	2.1
114.47231	1.1
115.05466	5.6
116.01643	1.3
116.98585	2.5
117.06998	5.0
119.04945	7.0
121.02863	15.9
121.06487	1.6
123.04411	4.2
125.04165	1.6
128.06226	17.9
128.07144	2.0
129.06985	7.5
131.04936	5.6
131.08521	2.1
133.02827	1.5
133.06511	8.1
134.99605	1.7
135.04436	1.8
140.53639	0.9
141.06947	3.7
142.03220	1.2
142.06784	2.0
143.08572	8.6
144.05678	2.2
145.05592	0.9
145.06503	12.9
145.54880	0.9
147.04439	9.1
147.08009	3.3
148.17473	0.9
151.03900	2.0
152.06226	7.6
153.07001	21.1
155.05981	3.1
155.08479	1.5
155.98798	1.0
157.06499	59.6
158.07124	2.8
159.04370	3.3
159.08083	4.7
160.05182	1.9
161.05994	11.2
161.09543	1.5
165.06978	3.0
168.05692	1.1
169.06502	4.5
169.07669	1.0
170.07275	1.6
171.04359	1.2
171.08055	41.2
173.05962	13.0
173.09570	2.9
174.06754	1.3
175.06223	1.0
175.07555	9.1
177.05467	1.1
181.06447	22.4
181.07863	1.9
182.07146	1.1
183.07957	3.2
184.05186	3.6
184.85495	1.0
185.05986	45.0
186.06651	4.3
187.07462	1.1
189.05476	12.8
189.09106	1.6
191.06886	1.8
197.05936	2.9
198.06598	2.0
199.07552	100.0
200.07933	2.3
201.05478	11.0
201.09082	3.3
203.03897	0.9
203.07028	8.3
205.03430	1.3
209.05902	3.1
215.06898	1.8
217.08609	5.3
221.02948	4.2
227.04988	1.6
227.07051	23.7
240.02432	1.2
245.04599	4.7
245.08025	57.9
245.11826	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	245.081
Annotation	CEAROIN
Peak:m/z	Relative Intensity
50.01591	0.3
51.02366	1.0
51.73151	0.2
52.09809	0.2
53.03950	5.1
55.01883	0.5
55.05254	0.2
55.05515	0.8
56.01118	0.2
60.95944	0.2
65.03945	0.8
66.26804	0.2
67.02770	0.2
67.05499	0.3
69.03454	0.3
69.07081	0.3
69.41734	1.7
77.03925	1.2
79.01831	0.2
79.05513	0.2
79.26025	0.2
81.03424	0.7
81.07066	0.4
83.04971	0.6
83.29921	0.2
91.05482	0.4
93.07053	0.4
93.94641	0.2
95.04974	8.0
95.08611	0.5
96.02126	0.7
105.03395	100.0
106.03726	0.9
107.01331	0.3
109.10172	0.3
111.04462	1.2
116.98605	0.2
117.07023	0.2
119.08584	0.3
123.08052	0.3
131.08488	0.4
133.10120	0.3
139.03905	0.4
143.08559	0.4
145.10098	0.3
152.01054	2.8
157.06528	0.2
157.10129	0.6
159.11681	0.9
167.03407	39.4
168.03766	0.3
170.02072	1.0
171.11662	0.4
173.13162	0.3
185.13242	0.4
203.08130	0.5
227.18016	0.4
245.08092	31.4
245.15349	0.7
245.19057	0.9
245.22867	0.2
246.08377	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	1.8
58.99857	2.9
61.34907	0.6
68.98298	2.0
69.03426	1.3
70.99867	3.4
75.40866	0.7
77.00915	2.0
81.03422	2.6
82.99818	5.8
84.34850	0.6
85.01393	0.6
85.02903	0.8
86.99340	3.4
89.00900	1.6
94.99832	0.8
97.01395	1.1
97.02900	3.9
98.21609	1.2
98.97595	1.1
101.00888	61.4
102.00968	1.2
103.02441	1.8
105.00360	1.4
109.02888	2.0
113.00880	7.1
115.02432	4.8
119.01929	100.0
120.02020	1.2
124.02486	0.8
125.00818	0.8
127.02425	5.3
129.00377	1.6
129.04007	4.3
131.01918	17.0
133.03494	3.9
134.99649	0.6
136.75777	0.6
137.00835	3.1
137.02950	8.8
139.02409	4.5
141.03978	1.0
142.03586	1.2
143.01907	18.1
144.02690	0.9
145.03479	24.1
147.01389	4.0
147.05049	2.0
149.02963	0.7
153.04016	1.6
155.01909	33.3
156.02589	0.7
157.02223	1.2
157.03487	20.5
161.02975	24.0
163.04488	2.9
167.01918	17.2
169.03462	5.3
171.05029	8.5
173.02983	28.9
175.04585	5.0
177.02393	0.8
179.01920	11.7
181.03519	1.3
184.02281	0.8
185.02974	92.6
185.47722	0.6
186.03172	2.3
187.04521	7.1
188.97092	1.2
189.06056	1.2
191.04002	1.7
197.02977	42.2
198.03220	0.8
199.04459	1.3
203.04018	15.1
208.04590	1.7
209.02979	2.0
215.03989	12.0
221.05083	6.8
227.04021	7.5
233.05083	0.8
245.05093	34.7
263.06152	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.4
56.96571	85.9
59.60773	1.2
61.02933	1.9
69.03414	4.6
70.06581	4.2
71.04983	1.4
71.55950	2.4
71.95258	1.6
72.08134	2.4
72.93797	1.6
73.02920	2.4
79.08718	1.5
81.03404	3.0
81.04501	2.0
81.92854	1.2
82.06576	1.4
84.08130	2.8
84.96011	1.7
85.02898	6.0
89.03922	3.1
91.05476	4.4
92.98598	1.5
93.06989	1.8
95.01374	1.6
95.04974	2.1
96.05303	1.3
97.02885	5.1
98.06072	11.2
98.97598	14.1
99.04445	2.1
101.00883	3.5
105.07073	2.0
107.04946	3.3
112.07590	4.2
116.98631	15.5
117.03351	2.3
118.19633	1.3
119.01937	13.0
119.04946	5.2
120.02011	8.6
121.01669	3.3
123.04417	4.4
123.07907	6.2
128.98592	2.6
129.86392	1.5
130.08649	2.2
130.93286	2.5
131.01881	3.1
133.03496	2.3
133.06544	7.5
134.99646	14.4
135.04422	4.2
137.02983	3.2
138.03166	2.2
139.62804	1.4
143.01869	3.0
145.03516	1.7
146.99599	2.8
147.04436	10.1
148.04744	2.8
148.94304	2.0
149.01239	1.6
151.00681	2.7
154.03473	1.9
155.01871	3.0
156.03337	1.7
157.03439	2.6
157.98955	2.2
161.02936	6.1
163.03917	9.0
164.02324	2.7
164.04240	2.1
169.01689	6.4
172.00516	2.4
172.04451	1.9
173.02939	4.1
173.98503	2.4
174.04408	5.3
174.97702	2.9
175.00717	2.2
175.97739	1.7
176.00096	3.1
177.04179	1.6
181.01797	2.2
181.03377	2.2
185.01147	2.0
185.02945	2.6
186.04391	4.0
187.02773	5.0
187.04305	1.5
188.98608	3.0
191.00143	4.3
191.01895	2.8
192.98701	4.2
193.01732	8.9
193.03479	13.3
193.98853	2.6
194.98395	2.0
195.03290	8.9
195.05086	4.8
196.04884	1.6
197.01292	2.1
197.02957	2.9
198.02463	4.5
198.06245	6.2
202.01454	4.8
202.02763	4.2
203.00220	2.2
203.01973	5.6
203.04013	3.4
204.05516	6.8
205.03459	1.8
207.01392	1.7
209.01164	5.4
209.02968	10.8
209.04900	3.3
211.02798	16.5
211.04572	2.8
213.04330	15.8
213.06084	2.1
216.03511	2.2
216.07217	2.3
220.02063	1.9
221.01254	7.1
221.02974	100.0
221.04787	5.3
223.04582	2.4
226.03595	2.6
227.05832	7.4
229.03854	2.9
237.05994	1.6
239.02162	78.1
239.03996	10.7
239.06097	6.7
244.02533	4.8
244.04591	31.6
244.07312	7.2
244.16383	2.4
245.05051	5.8
245.12100	1.7
250.99443	2.0
253.03851	4.1
257.03168	64.3
262.03476	4.4
262.05930	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	243.1592
Annotation	Annuionone F
Peak:m/z	Relative Intensity
50.66405	1.1
53.03936	1.4
55.01870	2.8
55.05511	8.5
56.05034	1.6
57.03428	2.7
57.07064	3.9
67.05505	10.6
69.03434	5.5
69.07067	7.4
71.01355	10.7
71.04987	6.4
71.56236	1.5
78.88532	1.1
79.05504	8.1
81.03400	1.9
81.07057	14.9
83.01350	1.6
83.04976	6.7
83.08616	3.8
84.04509	1.7
85.02915	3.1
85.06557	3.2
86.09683	1.7
91.05495	10.3
93.07049	13.5
94.06563	1.3
95.01332	100.0
95.04974	8.7
95.08610	24.0
96.01669	1.1
97.02897	2.2
97.06537	4.7
98.97575	4.4
99.04424	1.7
99.08064	2.0
103.05455	1.8
105.07040	15.8
107.04942	2.2
107.08597	17.5
108.65610	1.1
109.06508	9.9
109.10162	14.4
111.04437	2.7
111.08103	3.8
113.05975	1.1
113.09664	1.3
115.05442	2.9
116.98620	2.6
117.07036	5.7
119.04970	6.6
119.08593	20.9
121.02867	4.8
121.06508	4.7
121.10152	16.3
122.07286	3.4
123.08075	36.7
123.11668	3.0
124.08878	1.6
125.06013	2.1
125.09652	8.1
127.07558	2.5
127.11193	1.8
128.06233	1.6
129.07007	2.7
130.93875	1.3
131.04930	1.9
131.08592	5.8
132.66539	1.1
133.10144	10.1
134.99655	2.0
135.08075	3.1
135.11674	6.7
137.06006	1.4
137.09624	18.3
137.13266	18.9
139.07518	3.1
139.11195	1.9
140.05266	3.5
140.07082	1.3
141.06995	8.8
143.00139	1.1
143.08577	2.7
144.05681	2.1
145.06502	4.7
145.10094	4.4
147.04407	10.3
147.08061	3.2
147.11674	5.2
149.02341	7.6
149.09619	7.9
151.07550	15.4
151.11154	2.9
151.14861	3.5
152.08342	25.3
153.06940	2.3
153.09099	3.1
153.12744	1.2
155.14322	2.0
156.09348	1.6
158.99623	1.7
159.08086	5.7
159.11642	1.6
161.09610	1.6
161.13260	12.4
163.11172	5.6
165.06902	1.4
165.09145	3.9
165.12730	2.7
167.10757	1.5
169.06453	6.6
169.10179	1.0
169.12210	1.5
171.08092	1.3
171.11736	2.9
173.05992	25.2
175.03906	4.8
177.00748	2.1
179.14313	22.5
181.06522	1.8
181.12231	1.9
187.07532	6.6
189.12753	7.7
197.05867	13.0
199.07574	1.5
201.05547	4.7
201.08989	1.4
207.13811	56.4
215.07030	33.4
223.09200	1.5
225.05434	4.1
225.14842	22.7
228.08900	1.8
231.53178	1.3
243.06529	7.7
243.08141	4.0
243.11263	6.3
243.13751	2.0
243.15939	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	243.1019
Annotation	4,5-Bisphenol-o-quinone
Peak:m/z	Relative Intensity
52.54671	0.3
53.03952	3.1
55.01864	1.0
55.05503	0.7
57.03447	0.8
57.07083	0.4
57.48534	0.3
61.41183	0.3
65.03931	0.4
65.06098	0.4
67.01871	0.8
67.05509	0.8
69.03438	2.9
69.07059	0.4
71.04991	0.7
75.20332	0.3
77.03955	0.6
78.24550	0.3
79.05505	3.2
81.03426	0.8
81.07056	1.3
87.50117	0.4
88.07647	0.5
91.05486	19.6
93.07040	4.4
95.04974	5.3
95.08630	0.4
98.20684	0.7
99.04486	0.7
103.05463	1.9
105.03437	0.6
105.04536	1.0
105.07031	2.4
109.06538	0.4
114.63349	0.4
115.05460	6.0
116.06244	1.1
117.07028	22.0
121.06516	5.6
128.06239	2.3
129.07007	6.2
130.07802	1.4
131.04950	2.6
131.08582	8.8
137.06020	0.4
137.86125	0.3
141.05960	0.8
141.07004	11.2
141.08115	0.6
142.07864	0.4
143.04927	2.2
143.08559	2.5
144.05779	0.7
144.09322	0.5
145.06499	26.4
145.10144	4.0
149.05984	4.9
152.06137	0.5
153.07002	2.1
154.07806	4.2
155.06090	0.5
155.08566	5.3
156.09344	0.8
157.06522	0.9
158.07254	1.4
159.08064	67.2
159.11606	2.1
160.08400	0.8
167.07056	18.8
169.10138	7.4
170.10721	0.4
171.08022	0.6
172.08810	0.8
173.06026	1.1
173.09641	7.7
178.07787	0.7
179.08595	2.5
179.09901	0.4
181.06480	0.4
182.07285	1.2
187.07545	1.4
187.11188	7.3
197.09656	2.8
200.08334	1.1
215.10693	100.0
216.10973	1.3
218.84012	0.4
226.08026	0.5
243.10207	0.6
243.17592	0.8
243.21158	0.4
243.25049	0.6
243.28786	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.02
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	0.3
70.69051	0.1
71.20397	0.2
82.99903	0.3
83.65211	0.1
84.75626	0.1
98.97598	1.7
101.00887	4.4
101.06020	0.1
104.64909	0.1
104.88776	0.1
116.98634	1.4
119.01929	13.6
120.02025	0.2
124.41879	0.1
134.99825	1.4
137.02965	2.6
140.98830	0.6
142.03513	0.2
153.00966	0.5
156.97441	0.2
158.99902	2.2
165.99638	0.2
168.66856	0.1
175.03070	0.5
177.00966	26.1
177.93369	0.1
178.01070	0.9
179.01418	0.3
179.99126	0.1
182.99806	0.7
191.02499	0.2
193.04097	0.4
195.02003	0.5
197.00587	0.1
199.02977	0.1
200.02592	0.3
201.00905	1.8
201.02483	0.2
215.01776	0.1
217.04102	3.4
218.04182	0.1
219.02020	29.8
219.94501	0.5
220.02155	1.8
221.01758	0.1
224.00137	0.1
225.00874	2.0
225.02763	0.2
233.03648	0.2
234.00726	0.3
237.95573	0.3
237.98741	0.3
238.03358	0.2
242.03552	0.4
242.96219	0.4
243.02003	9.6
244.02087	0.2
260.04697	0.2
261.03076	100.0
262.03238	2.5
263.03543	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0877
Annotation	Lumichrome
Peak:m/z	Relative Intensity
52.06863	0.4
55.05494	0.5
60.62183	0.3
67.05474	0.4
69.03389	0.3
69.07066	0.5
69.56226	0.3
71.04984	0.4
79.05499	0.4
81.07059	0.9
85.02905	0.4
86.09715	0.5
91.05479	1.1
93.07058	0.5
95.01331	0.4
95.04954	0.5
95.08614	0.6
99.04446	0.6
103.05460	1.5
105.07007	0.6
109.10150	0.4
118.06548	1.5
119.04946	0.5
119.08583	0.6
121.10180	0.6
122.94354	0.4
123.08087	0.4
129.06970	0.4
130.06525	2.3
141.07005	0.4
143.08569	0.7
145.07611	6.5
149.09541	0.5
155.08658	0.6
157.06430	1.9
157.07529	0.4
165.06998	0.4
169.06450	0.4
169.10114	0.6
170.07156	7.8
171.11716	0.6
172.08713	43.5
174.10303	0.6
176.75673	0.4
182.07024	0.3
190.09840	1.4
197.05956	0.7
197.08209	0.7
197.13268	0.8
198.06633	17.7
200.08195	4.6
215.07039	0.6
215.10765	0.4
216.07706	31.5
217.56914	0.4
218.09261	1.2
225.07623	0.7
243.08788	100.0
244.07164	1.5
244.09315	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12005	0.6
52.24255	0.6
53.03938	1.0
55.05506	4.2
57.03433	1.5
57.07067	1.6
63.72090	0.8
65.03925	0.7
67.05507	6.3
69.07074	7.3
70.85034	0.6
71.08636	0.7
71.57037	0.6
79.05493	7.7
81.07063	13.9
83.04978	0.7
83.08612	2.6
85.06535	1.2
91.05479	10.9
92.66888	0.8
93.07055	16.8
95.04975	1.1
95.08047	1.0
95.08613	12.7
97.10189	1.5
105.06379	1.2
105.07034	16.7
107.08601	9.5
109.10178	4.5
115.05404	1.0
117.07043	5.2
119.07791	1.0
119.08586	12.1
121.10156	5.3
123.11727	1.6
128.06197	4.0
129.07019	9.5
131.08583	11.1
133.10129	8.5
135.11678	2.1
141.06985	1.8
142.07770	2.9
143.08563	25.9
145.10126	10.5
147.11690	10.1
149.13260	2.5
155.08530	2.3
156.09366	2.9
157.10135	19.4
157.78210	0.7
159.08119	0.7
159.11703	13.3
161.13269	9.0
169.10120	2.1
170.10892	2.0
171.08022	1.1
171.11690	11.5
173.13257	4.1
183.11720	6.1
185.13263	18.4
186.14006	0.8
187.14830	0.8
197.13312	1.7
198.13986	3.1
199.14825	14.5
209.84984	0.6
211.14757	0.9
213.09190	0.9
213.16362	5.9
223.16843	0.6
226.17117	0.9
241.08563	1.8
241.15712	2.5
241.19525	100.0
242.19861	1.7
258.45297	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.18
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02416	4.5
55.01888	7.7
55.05523	42.3
57.03431	7.0
57.07074	13.6
59.04985	6.0
61.77751	6.1
65.03942	5.3
67.05172	5.4
67.05510	68.7
69.03413	6.4
69.07077	53.3
71.04990	9.2
71.08659	12.1
71.56493	4.8
79.05499	64.1
81.07060	100.0
83.04986	10.8
83.08627	31.7
85.02939	5.0
85.06513	10.5
91.05476	22.9
93.07052	84.4
95.08614	71.2
97.06548	11.1
97.10188	14.6
98.97574	5.9
105.07037	18.5
107.08610	61.3
109.10160	34.7
117.07007	7.2
119.08578	19.4
120.51671	5.1
121.06507	18.1
121.09418	6.8
121.10178	60.5
123.11716	21.1
125.09647	6.7
128.06212	6.4
129.07030	6.1
131.08592	15.9
133.10144	14.1
135.08046	9.8
135.11694	15.2
139.07527	11.8
143.08543	15.9
145.10129	20.6
147.11684	8.5
149.09641	11.5
153.09052	7.9
157.10150	28.4
159.11667	18.9
161.13278	16.1
163.14853	82.0
167.08563	8.8
169.10240	5.8
170.10957	5.7
171.11737	30.6
177.16383	8.9
181.10184	5.9
185.09715	10.1
185.13287	29.3
187.14835	34.9
195.08005	7.2
199.11186	7.0
199.14832	18.8
205.15865	12.7
205.19489	8.6
213.09109	8.5
223.16927	13.9
223.20593	5.6
226.13443	5.5
241.08731	31.4
241.12315	16.0
241.16019	29.0
241.19565	70.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1799
Annotation	Chokol F
Peak:m/z	Relative Intensity
53.03939	6.2
55.01876	8.3
55.05517	41.7
55.38090	4.3
56.96553	12.1
57.03435	18.0
57.07081	28.8
57.20393	5.5
67.05511	83.8
67.46947	4.8
69.03407	7.2
69.07063	33.6
69.93562	4.6
71.04993	7.7
71.08659	4.5
71.17638	10.7
79.05497	65.1
80.76672	4.6
81.07067	100.0
83.04990	14.0
83.08608	20.0
85.06539	20.4
90.50329	4.7
91.05491	35.5
93.07051	92.3
95.08617	75.6
97.06532	11.3
97.10147	9.7
98.97598	9.8
105.07023	18.8
107.01575	5.6
107.08608	61.4
109.10162	37.7
110.47238	5.7
111.08083	7.7
116.98651	5.4
117.07036	12.3
119.08588	14.3
121.06491	15.5
121.10148	68.3
123.08077	6.8
123.11689	23.2
125.05967	5.5
125.09612	5.3
130.78444	4.9
131.08559	19.0
133.10115	18.6
135.08069	12.7
135.11707	8.9
139.07590	8.7
139.11168	5.9
141.12776	9.0
142.07805	7.8
143.08580	10.3
145.10126	20.6
147.11717	7.6
149.01208	10.2
149.09604	10.3
153.09171	7.1
155.08595	6.2
156.09399	8.0
157.10170	14.5
159.11697	8.1
161.13269	17.9
163.14844	85.4
167.08571	7.3
171.11746	31.5
177.16396	13.8
181.10043	5.9
185.13303	23.8
187.14842	33.0
195.08061	12.0
199.14799	11.0
205.15897	18.5
213.09090	7.6
223.07559	6.6
223.16809	10.8
226.06212	5.8
229.09138	10.6
241.08542	33.1
241.12294	12.5
241.16095	23.4
241.19601	49.3
243.21930	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	239.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	0.8
53.03945	0.8
55.05514	24.3
57.03440	0.5
57.07077	100.0
65.03941	1.3
67.05507	47.8
69.07070	23.3
69.07460	0.7
69.07648	0.5
71.04991	0.9
71.08633	58.8
79.05499	4.3
79.07581	0.4
81.07060	52.9
82.07410	0.4
83.08621	28.3
85.06541	3.5
85.10184	31.0
87.48634	0.3
89.06036	0.7
91.05478	0.7
93.07058	2.5
95.08610	71.1
96.82803	0.3
97.10170	11.7
99.08103	1.7
99.11720	1.2
107.08605	0.6
109.10159	26.3
111.11703	1.5
123.11711	8.0
125.13287	0.5
137.13252	2.5
151.14792	0.6
165.16382	0.5
165.77580	0.4
171.49062	0.4
179.15259	0.4
179.18047	0.5
185.89894	0.3
221.22644	0.6
234.98073	0.4
239.08789	0.9
239.23625	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91704	0.2
55.01869	0.3
55.05502	0.3
56.96573	7.1
57.03436	0.4
58.06607	18.9
67.05507	0.2
69.03438	0.8
69.07079	0.3
70.06607	2.9
71.05006	0.4
71.55293	0.4
71.95284	1.4
72.08138	0.6
73.02914	0.6
77.00897	0.3
79.72634	0.2
80.05013	0.4
81.03418	0.9
81.07092	0.3
84.08154	9.1
85.02911	1.0
85.06538	0.3
86.09712	0.2
91.05486	0.3
95.04976	0.6
95.08585	0.3
97.02910	1.1
98.06058	0.4
98.09720	1.1
98.97596	26.9
99.04433	0.3
100.11282	0.5
101.00887	1.0
107.08594	0.3
109.10072	0.2
110.97615	0.2
116.98638	22.4
117.07067	0.2
119.01926	2.9
119.04945	0.4
121.01682	0.5
121.06505	0.5
123.04405	0.7
126.05548	0.3
126.09142	0.5
127.03941	0.4
128.10733	4.3
131.00186	0.4
131.01917	1.0
131.04924	0.5
131.53206	0.2
133.06516	0.6
134.06020	0.9
134.99675	14.2
136.06244	0.3
136.07607	0.3
137.02974	0.7
137.06544	0.4
140.00194	0.5
143.01901	0.3
144.10229	1.5
145.03456	0.8
147.04451	0.8
152.07091	1.2
153.00725	1.7
156.97598	0.3
157.03474	0.5
158.01236	0.5
161.02979	0.8
163.03928	0.8
164.07089	6.3
168.10219	1.1
171.05035	0.4
173.02979	0.7
173.04663	0.3
174.97586	0.7
175.04512	0.3
177.00807	0.4
178.01056	0.5
181.03677	0.3
181.09708	0.4
185.03014	0.5
187.07564	0.2
190.04210	0.3
190.06171	0.5
192.96997	0.2
192.98738	1.0
195.05095	0.5
196.09709	6.3
197.06575	0.4
198.32751	0.2
198.99071	0.3
199.04558	0.5
201.04306	0.5
207.05066	0.7
208.00589	0.2
208.05315	0.8
213.06001	0.7
213.15894	0.4
216.99995	0.7
218.02374	0.3
218.04192	1.5
218.06226	0.3
219.01862	0.6
223.10866	0.4
225.06088	0.7
228.04243	0.2
231.05092	0.5
234.99512	0.4
236.01714	0.4
236.05161	0.9
236.07741	0.3
237.00760	1.3
237.06204	1.3
240.98802	1.0
241.03470	0.6
241.15495	100.0
242.15863	1.0
250.99294	0.3
255.01608	0.4
255.07124	0.3
258.97049	0.5
258.99777	9.7
259.04218	1.1
259.06937	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2005
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
53.03947	3.2
55.05506	20.6
57.02201	3.1
57.07084	20.9
59.04987	15.5
67.05508	21.8
69.07072	70.0
70.52619	11.3
71.04992	20.9
79.05488	22.9
81.07059	100.0
81.21190	3.5
83.08612	17.0
85.06544	10.1
87.58676	3.5
91.05480	10.5
93.07048	64.4
95.08614	87.0
97.06533	10.3
97.10168	10.6
99.08090	12.7
105.07034	29.9
107.08596	77.2
109.10168	46.9
111.08092	11.5
111.11719	53.6
119.08587	49.5
121.10144	25.2
123.11705	40.4
125.09617	8.3
125.13264	10.2
127.11182	5.9
129.09117	4.8
133.10164	25.6
135.11705	97.4
137.13269	31.0
139.11090	4.3
147.11679	28.6
149.13274	39.9
151.11211	4.9
153.12758	20.2
155.08560	4.6
161.13269	13.8
163.14806	20.9
167.08626	3.5
167.14282	5.5
169.10124	8.6
175.14806	6.7
177.16397	7.7
183.11697	8.8
193.19557	5.0
197.13272	10.1
203.17955	73.5
221.19037	76.3
239.14322	10.9
239.17923	12.9
239.20055	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.237
Annotation	Bombykol
Peak:m/z	Relative Intensity
53.03945	1.1
54.24960	0.4
55.05515	23.5
57.07078	100.0
58.20744	0.5
65.03956	1.1
67.05508	47.2
69.07072	23.6
69.07456	0.9
71.04992	0.8
71.08634	59.6
76.94749	0.4
79.05495	3.5
81.07060	51.4
83.08219	0.4
83.08622	27.5
85.06533	3.1
85.10187	28.7
93.07024	2.6
95.08610	69.2
96.08930	0.5
97.10175	12.7
99.08095	1.5
99.11754	0.8
109.10162	24.8
111.11714	1.5
112.38008	0.4
123.11713	7.9
125.13271	0.6
136.29112	0.4
137.13245	1.8
151.14870	0.9
176.46240	0.4
239.08727	0.5
239.17928	1.2
239.23773	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2007
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
52.39241	2.3
55.05510	32.1
57.03434	7.1
57.07077	25.8
59.05006	21.3
64.27712	2.6
66.30286	2.3
67.05511	18.7
69.07073	52.6
69.59987	15.0
71.05002	13.3
71.08617	3.9
73.50936	2.7
79.05502	13.2
81.07061	100.0
83.04956	2.2
83.08630	22.0
85.06541	9.9
91.05484	10.9
93.07052	45.8
95.04977	3.4
95.08609	94.4
97.06525	9.0
97.10190	16.9
97.11347	2.3
98.20768	2.8
99.08081	9.7
105.07026	20.8
107.08596	52.9
109.10165	54.4
111.08096	8.0
111.11729	34.6
113.09658	4.2
114.22964	2.8
115.07536	4.1
119.08578	38.9
121.10129	30.8
123.08086	2.6
123.11710	40.8
125.09646	10.9
125.13229	4.4
127.11162	5.6
133.10136	29.4
135.11697	60.2
136.46562	2.5
137.09627	3.0
137.13261	64.8
139.11176	14.8
143.10666	5.1
147.11691	28.8
149.13268	33.8
151.11206	11.4
151.14789	4.6
153.12756	6.6
161.13298	11.6
163.14833	23.8
165.12770	6.0
167.14351	4.3
175.14822	3.0
177.16382	7.7
193.19528	3.8
203.17984	60.3
203.39575	2.2
221.19017	72.1
229.64711	2.3
239.17972	4.4
239.20076	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	239.2007
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
53.03936	4.1
54.25868	2.6
55.05518	34.5
57.03448	5.9
57.07084	23.8
59.05005	27.0
59.43291	2.8
61.37196	3.1
63.26406	2.7
66.32614	3.0
67.05507	29.6
67.34100	2.9
69.03443	3.0
69.07076	49.8
70.17534	12.7
71.04989	9.9
71.08635	3.5
75.87981	3.3
79.05492	13.6
81.07064	86.7
83.05013	4.2
83.08622	25.3
85.06535	8.9
91.05482	13.2
93.07044	38.6
95.04942	5.4
95.08616	100.0
97.06509	11.1
97.10166	21.0
98.20937	3.8
99.08055	7.6
100.67477	2.9
105.07034	22.5
107.08615	48.4
109.06456	5.3
109.10168	46.8
111.08097	12.7
111.11705	11.6
113.17789	3.4
114.33157	3.8
119.08588	29.0
121.10147	29.9
123.08092	8.5
123.11070	2.7
123.11732	29.9
125.09631	10.8
127.11188	4.1
133.10127	27.2
135.11708	46.0
137.09657	5.1
137.13274	63.7
139.11223	16.7
143.10666	7.6
145.10075	4.8
147.11687	28.6
149.13281	17.7
151.11171	14.2
152.64503	3.2
153.12746	4.7
155.08577	4.5
157.10077	6.1
159.11726	4.3
161.13249	12.9
163.14830	31.8
165.12764	5.2
169.10205	4.3
175.14851	5.0
177.16447	8.7
181.09973	3.6
183.11734	15.0
197.13223	17.8
203.17976	55.1
221.15474	3.2
221.19043	57.1
239.08810	8.2
239.10834	7.3
239.14392	6.9
239.17947	26.5
239.20074	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	238.1076
Annotation	Fumariflorine
Peak:m/z	Relative Intensity
51.47939	0.5
52.50938	0.5
56.96564	1.8
60.63255	0.5
68.05047	0.6
69.07079	0.6
69.90501	1.7
69.90910	1.0
70.06585	0.9
79.05497	6.1
91.05462	3.8
98.97552	0.5
100.03977	0.5
103.05480	5.8
105.07038	13.0
106.06570	13.0
107.04944	5.8
116.98636	0.5
117.05748	2.6
117.07029	0.5
118.06557	10.0
119.07334	13.4
119.08589	1.4
120.08120	10.4
121.06537	0.8
128.06203	1.2
129.07011	6.2
130.06573	0.7
131.04950	3.1
131.07323	1.8
132.04480	1.1
132.08096	1.5
135.04405	3.8
140.07288	0.5
144.08086	1.3
146.09657	97.4
149.05988	0.6
154.94119	0.7
164.10724	2.5
168.79124	0.5
172.95311	1.3
174.05548	0.5
174.09082	0.5
178.08643	0.9
190.96384	0.7
192.06601	9.0
192.10202	100.0
193.10532	0.9
232.47237	0.6
238.01025	0.6
238.10739	8.0
239.02180	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1642
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
52.01365	0.2
53.03936	0.8
55.01857	0.3
55.05305	0.2
55.05512	2.5
56.75767	0.3
57.03398	0.3
57.07078	2.2
59.04990	0.2
63.56375	0.2
66.91115	0.3
67.05508	4.3
68.15746	0.3
68.99795	4.4
69.03419	0.4
69.07066	2.4
71.04974	0.6
71.08628	1.5
71.56226	0.3
71.96190	0.2
75.05435	0.2
79.05482	1.3
81.03419	2.2
81.07059	4.2
83.04967	0.5
83.08606	0.9
85.02899	0.5
85.06522	0.3
85.10171	0.6
87.00834	3.0
89.06021	0.9
91.05478	1.3
93.07052	0.6
95.04955	1.5
95.08617	3.1
96.66101	0.2
97.02865	0.4
97.06528	0.4
97.10144	0.4
99.04446	0.7
99.57004	0.3
100.16862	0.3
105.03417	0.4
105.07019	0.6
107.08593	0.6
109.02884	0.9
109.06512	0.8
109.10206	0.3
111.00783	1.1
111.04414	0.4
111.08010	0.2
113.02344	1.5
114.91227	0.3
117.07037	0.3
119.08581	0.4
123.04427	0.7
125.06005	0.3
126.03130	3.6
127.03913	0.9
133.08582	0.4
139.03905	0.6
155.08580	0.3
157.10059	0.4
169.08614	0.3
169.10097	0.4
179.91396	0.2
183.10161	0.7
183.11662	0.3
185.60153	0.2
197.11707	0.8
197.13315	0.3
211.13287	0.3
211.16943	1.2
238.03365	0.3
239.08925	2.2
239.16420	100.0
240.16785	0.9
250.68132	0.3
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
52.26102	3.3
53.03960	3.8
55.01851	3.4
55.05516	40.6
57.03444	8.1
57.07082	37.5
59.04992	17.3
63.16163	3.2
65.03927	3.8
67.05514	33.7
69.07075	59.6
71.04989	14.9
71.08637	9.5
71.57091	6.2
73.06548	6.2
74.11378	3.6
79.05489	16.4
81.07067	93.2
81.39536	3.4
83.08633	29.8
85.06539	14.7
89.06020	5.8
91.05473	13.1
93.07056	50.1
95.04954	5.6
95.08048	7.0
95.08617	100.0
97.06524	12.0
97.10172	14.5
99.08097	10.4
105.07055	24.9
107.08609	69.5
109.06527	7.5
109.10168	53.9
111.08047	13.4
111.11721	23.4
113.06051	5.9
115.07565	5.7
119.08595	42.2
121.10175	25.7
121.37899	3.8
123.08103	7.8
123.11695	39.0
124.91799	4.1
125.09671	6.3
125.13304	4.5
127.11231	7.4
129.09187	4.1
133.10132	32.5
134.47716	3.8
135.11699	95.2
137.09579	7.3
137.13275	52.2
139.11183	14.6
143.10660	4.8
147.11705	27.7
149.13264	25.3
151.11148	6.3
153.12733	15.2
155.08543	10.0
157.10083	4.8
161.13223	15.1
163.14883	24.2
165.06967	3.8
165.12764	5.8
167.08641	4.4
169.10188	9.7
175.14696	5.2
177.16356	5.8
183.08028	4.4
183.11713	16.9
191.82739	3.4
197.13319	8.4
203.17969	71.8
221.13441	4.8
221.19044	67.9
234.10959	3.8
239.06915	6.8
239.08902	39.9
239.10910	4.7
239.14403	23.9
239.18022	16.5
239.20097	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	238.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56384	0.7
50.68447	0.8
53.05846	0.8
55.05490	0.8
69.07051	0.9
70.06583	3.3
71.56021	1.4
79.05492	26.4
87.00813	2.6
89.03894	0.9
89.06020	0.9
91.05476	1.0
95.04978	2.2
103.89362	0.8
106.06556	100.0
107.04955	15.2
107.06862	0.9
116.07098	2.5
120.08066	1.0
126.02716	1.1
132.04448	11.3
132.08083	1.5
135.04420	25.7
146.09741	0.9
150.05507	1.0
152.07076	2.8
162.05635	0.9
164.05389	1.0
164.06987	1.0
174.05457	2.3
175.07458	0.9
192.06558	54.9
192.10182	2.0
193.07013	0.9
210.05827	1.1
220.05995	1.2
220.09700	1.0
238.05267	9.2
238.10677	1.5
245.85719	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1849
Annotation	3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol
Peak:m/z	Relative Intensity
55.05510	78.1
56.91874	2.4
57.07076	4.0
59.04992	3.6
61.90733	2.2
67.05505	14.8
69.03405	3.4
69.07056	10.0
71.04996	29.1
71.11477	4.2
79.05481	11.6
81.07058	34.6
83.04980	100.0
83.08613	3.0
85.02389	2.2
85.06532	2.1
86.43861	2.2
91.05470	11.0
93.07046	24.5
95.04958	7.4
95.08605	19.6
97.06525	14.2
98.97514	2.6
99.08076	4.5
100.87272	2.0
105.07032	32.6
107.08595	26.3
109.06538	5.2
109.10166	25.6
111.08067	11.1
117.07024	5.5
119.08582	12.1
121.06530	2.2
121.10142	42.2
123.08047	3.8
123.11710	20.0
125.09684	3.2
127.11200	4.3
131.08577	8.8
133.10132	82.0
135.11687	12.0
137.09578	2.5
139.11176	28.2
145.10139	12.9
147.11693	16.3
149.09625	3.7
149.13298	15.2
151.11176	44.7
153.12686	12.9
156.07970	2.2
159.11681	22.9
161.13249	4.8
163.11182	6.6
167.14285	3.0
173.13228	2.5
177.12750	7.1
191.18010	2.7
201.16367	14.1
219.17436	26.3
226.32753	2.6
228.10088	2.8
237.14883	2.2
237.18497	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	237.2215
Annotation	Bombykal
Peak:m/z	Relative Intensity
54.68072	2.1
55.01858	3.9
55.05517	66.0
57.03419	4.0
57.06823	3.3
57.07082	36.7
65.03950	2.0
67.05511	74.3
68.05831	1.9
69.07076	88.9
71.04983	4.2
71.08638	12.9
71.32635	3.7
76.16795	1.9
79.05064	2.6
79.05499	42.2
80.25623	1.8
81.07066	88.1
83.04984	9.9
83.08627	77.0
83.09116	4.9
85.02941	2.3
85.06548	5.5
85.10175	5.0
91.05471	7.7
93.07058	49.3
95.04955	5.8
95.08618	70.8
95.09229	3.6
97.06538	34.7
97.10178	47.2
99.08086	4.3
105.07014	4.2
107.04919	2.0
107.08608	37.7
109.06526	3.8
109.10165	27.1
111.04449	7.1
111.08095	23.9
111.11748	10.0
119.08613	2.7
121.06473	2.8
121.10157	89.3
123.11696	23.1
125.09641	8.3
127.11208	3.0
131.08563	6.8
133.10075	2.0
135.11711	62.4
137.13269	18.7
139.11139	5.2
141.12711	3.2
146.05933	2.7
149.02301	2.6
149.13277	22.0
153.05423	3.3
153.12692	2.8
163.14793	9.7
168.42773	1.8
177.16364	4.3
181.04788	2.8
191.10750	5.7
192.06616	6.3
195.10075	2.5
195.11746	3.2
209.11739	15.8
219.10187	2.9
219.13881	2.6
219.21092	57.8
237.02097	2.1
237.11156	5.3
237.14709	3.4
237.22147	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	237.185
Annotation	3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol
Peak:m/z	Relative Intensity
50.98095	3.1
53.03955	7.2
55.01865	7.1
55.05516	51.4
57.03444	6.2
57.07077	7.3
59.05014	7.9
65.03953	3.4
67.05506	31.7
69.03448	17.0
69.07076	26.7
69.45985	26.7
71.05000	53.5
79.05506	27.2
81.03438	4.2
81.07063	100.0
83.04989	48.5
83.08603	6.1
85.06510	7.8
91.05488	21.3
93.07054	40.8
94.20798	2.7
95.04971	42.4
95.08613	29.1
95.77309	3.2
97.06525	20.5
97.10197	3.5
98.97594	13.4
99.08113	27.1
103.05463	3.8
105.07039	52.9
107.08601	49.4
109.06523	24.4
109.10165	46.3
111.08106	9.7
115.05344	2.9
116.98616	3.8
117.07061	7.7
119.08579	18.1
120.08121	32.5
121.06543	5.3
121.10149	42.0
123.08080	11.8
123.11715	25.6
125.09634	16.3
125.50357	3.1
127.07568	13.9
127.11214	36.2
131.08563	14.8
133.10141	93.4
135.08078	7.4
135.11723	18.6
137.05930	4.8
137.09602	7.9
137.13287	5.3
139.11191	18.7
143.10733	6.2
145.10168	31.7
147.11729	23.4
149.09636	4.3
149.13268	14.0
151.11200	70.7
151.12343	5.3
153.12744	9.6
155.10684	13.7
158.99722	5.8
159.11703	25.9
161.13272	6.7
163.11208	7.3
165.12769	3.4
166.08672	9.8
173.13225	5.4
175.14796	4.2
177.00786	4.3
177.16342	4.6
191.06981	6.4
191.17891	3.1
201.16411	20.1
219.09753	6.4
219.13957	3.9
219.17424	34.2
237.07550	6.9
237.14787	8.0
237.18512	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88003	1.4
52.42619	1.2
53.03945	2.9
55.01874	18.7
55.05515	28.3
56.40559	1.2
57.03434	2.9
57.07087	9.4
59.04997	1.5
59.26138	1.2
64.65614	1.3
65.03959	3.2
67.01862	5.0
67.05177	2.2
67.05512	29.1
68.99445	2.5
68.99796	48.9
69.03416	4.0
69.07073	78.6
71.05007	7.5
71.08639	2.2
71.56253	1.7
73.02918	1.5
79.05498	17.1
81.03428	6.4
81.07066	37.1
83.04989	43.2
83.08627	17.4
85.02909	2.6
85.06529	3.6
87.00822	3.3
91.05489	9.6
93.03398	2.5
93.07052	37.1
95.04989	6.3
95.05492	1.1
95.08061	2.4
95.08617	27.1
97.02866	4.6
97.06544	14.5
97.10162	6.6
99.04446	5.1
99.08087	2.7
101.02356	4.7
105.07030	14.9
107.04923	4.2
107.08603	31.8
109.06508	5.1
109.09457	1.6
109.10162	21.8
111.00816	89.8
111.04450	100.0
111.08080	10.4
111.11713	2.3
112.75986	1.1
113.06007	1.6
117.06985	4.3
119.08588	27.2
121.06482	4.7
121.09328	2.2
121.10156	37.2
123.08055	3.4
123.11727	6.2
125.05956	6.9
125.09599	4.2
125.13212	1.4
126.03176	8.6
127.03921	17.1
127.11208	2.3
131.08594	7.2
133.10146	16.7
135.08076	9.4
135.11700	18.7
137.05919	1.4
137.09610	3.7
137.13213	3.6
139.03900	36.8
139.07538	5.2
139.11110	3.8
145.10106	4.4
147.11650	4.2
149.05901	2.3
149.09669	6.2
149.13264	19.1
151.07565	1.9
151.11179	3.2
153.05531	3.3
153.09076	5.2
153.12737	3.8
157.08737	1.8
157.10094	6.9
159.08055	1.5
159.11707	25.1
161.09583	3.8
161.13271	2.2
163.07538	4.7
163.11221	1.6
163.14819	2.7
167.07025	3.6
167.08450	1.4
167.10677	4.1
167.14273	4.4
171.10185	2.3
173.13289	6.6
177.09111	6.5
177.12764	17.0
177.16264	4.3
179.08504	1.9
179.10654	7.7
181.08658	8.1
183.11691	3.5
191.14346	7.3
191.18025	1.9
195.10100	2.6
195.12001	2.2
195.13832	15.8
201.12775	7.7
201.16318	2.0
213.14899	10.0
219.13831	20.4
219.17413	4.9
219.20996	2.3
237.07320	1.7
237.12880	4.0
237.14816	73.3
237.18378	6.6
237.22150	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1487
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
51.88003	1.4
52.42619	1.2
53.03945	2.9
55.01874	18.7
55.05515	28.3
56.40559	1.2
57.03434	2.9
57.07087	9.4
59.04997	1.5
59.26138	1.2
64.65614	1.3
65.03959	3.2
67.01862	5.0
67.05177	2.2
67.05512	29.1
68.99445	2.5
68.99796	48.9
69.03416	4.0
69.07073	78.6
71.05007	7.5
71.08639	2.2
71.56253	1.7
73.02918	1.5
79.05498	17.1
81.03428	6.4
81.07066	37.1
83.04989	43.2
83.08627	17.4
85.02909	2.6
85.06529	3.6
87.00822	3.3
91.05489	9.6
93.03398	2.5
93.07052	37.1
95.04989	6.3
95.05492	1.1
95.08061	2.4
95.08617	27.1
97.02866	4.6
97.06544	14.5
97.10162	6.6
99.04446	5.1
99.08087	2.7
101.02356	4.7
105.07030	14.9
107.04923	4.2
107.08603	31.8
109.06508	5.1
109.09457	1.6
109.10162	21.8
111.00816	89.8
111.04450	100.0
111.08080	10.4
111.11713	2.3
112.75986	1.1
113.06007	1.6
117.06985	4.3
119.08588	27.2
121.06482	4.7
121.09328	2.2
121.10156	37.2
123.08055	3.4
123.11727	6.2
125.05956	6.9
125.09599	4.2
125.13212	1.4
126.03176	8.6
127.03921	17.1
127.11208	2.3
131.08594	7.2
133.10146	16.7
135.08076	9.4
135.11700	18.7
137.05919	1.4
137.09610	3.7
137.13213	3.6
139.03900	36.8
139.07538	5.2
139.11110	3.8
145.10106	4.4
147.11650	4.2
149.05901	2.3
149.09669	6.2
149.13264	19.1
151.07565	1.9
151.11179	3.2
153.05531	3.3
153.09076	5.2
153.12737	3.8
157.08737	1.8
157.10094	6.9
159.08055	1.5
159.11707	25.1
161.09583	3.8
161.13271	2.2
163.07538	4.7
163.11221	1.6
163.14819	2.7
167.07025	3.6
167.08450	1.4
167.10677	4.1
167.14273	4.4
171.10185	2.3
173.13289	6.6
177.09111	6.5
177.12764	17.0
177.16264	4.3
179.08504	1.9
179.10654	7.7
181.08658	8.1
183.11691	3.5
191.14346	7.3
191.18025	1.9
195.10100	2.6
195.12001	2.2
195.13832	15.8
201.12775	7.7
201.16318	2.0
213.14899	10.0
219.13831	20.4
219.17413	4.9
219.20996	2.3
237.07320	1.7
237.12880	4.0
237.14816	73.3
237.18378	6.6
237.22150	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
55.05514	0.3
56.01408	0.1
57.07070	0.4
58.06604	1.9
60.76976	0.1
67.05500	0.6
69.03434	0.3
69.07066	0.5
71.04995	0.4
71.56044	0.2
71.56435	0.2
72.08158	0.4
76.07647	7.2
79.05499	0.9
81.03414	0.7
81.07063	0.7
83.04992	0.6
83.08620	0.2
84.04523	0.7
85.02896	0.2
86.09712	0.5
91.05491	2.2
93.07051	1.1
94.04061	0.2
95.04967	0.5
95.08610	0.9
97.02896	0.2
97.06569	0.3
103.05494	0.2
105.07034	0.9
107.04925	0.2
107.08599	1.2
109.06509	0.4
109.10154	0.7
111.08048	0.2
115.05441	0.2
117.07110	0.3
119.03567	2.2
119.04932	0.3
119.08585	0.6
120.08132	0.2
121.02859	0.2
121.06525	0.5
121.10164	0.6
123.04425	0.3
123.08099	0.2
123.11692	0.2
131.05002	0.2
131.08571	0.6
133.06432	0.2
133.10153	0.7
135.04454	0.3
135.08090	0.5
135.11694	0.2
136.06194	100.0
137.02364	0.3
137.04602	2.3
137.06598	0.3
137.09625	0.3
139.11197	0.2
141.23140	0.1
145.06544	0.3
145.10144	0.6
146.06013	0.2
147.04416	0.3
147.11678	0.2
149.02347	0.2
149.05991	0.3
149.09653	0.2
149.10747	0.2
149.13286	0.2
151.07675	0.2
151.11189	2.0
153.01886	0.2
153.07051	0.3
159.04436	0.2
159.11710	0.4
161.10733	0.3
161.13277	0.2
162.04124	21.2
162.11586	0.3
163.03874	1.0
163.07545	0.3
164.13147	0.4
165.07013	0.2
173.09593	0.2
173.13297	0.3
176.96970	0.2
177.05466	0.3
177.09088	0.2
177.12729	0.4
181.06474	0.3
191.03391	1.6
191.07016	0.2
191.08623	0.1
191.10629	0.3
191.14340	0.3
192.06552	0.5
193.05116	0.2
195.10068	0.2
195.11922	0.1
201.05434	0.2
201.12845	0.2
201.16365	0.2
219.06496	0.5
219.10077	0.3
219.14957	0.5
219.17477	0.5
237.01932	0.3
237.03847	0.9
237.07285	0.5
237.10965	6.8
237.14995	0.6
237.15863	0.4
237.18452	0.3
237.22021	0.7
238.05287	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.2
53.03930	0.2
54.20971	0.2
55.05524	0.2
56.96569	5.1
57.03418	0.2
58.99863	0.4
60.95850	0.3
62.18725	0.2
62.58643	0.2
67.05494	0.3
69.03441	0.5
69.07066	0.2
69.87345	0.6
69.87749	0.5
73.02921	0.3
74.02448	5.5
74.97588	0.2
77.00911	1.0
79.36400	0.2
81.03411	0.5
81.07066	0.2
82.01453	0.3
83.04991	0.2
85.02871	0.2
87.42046	0.2
91.05479	0.5
93.07038	0.3
95.01976	0.2
95.05004	0.3
95.13169	0.2
97.02888	0.4
98.97601	1.1
100.02480	0.8
101.00925	0.3
105.07014	0.2
107.04999	0.3
109.02892	0.3
111.04458	0.2
114.04001	0.2
115.02438	0.5
116.98631	0.8
118.03513	0.6
118.06548	1.6
119.01940	0.6
119.04935	0.5
122.17633	0.2
123.04463	0.5
128.04034	0.4
128.04962	4.3
129.09341	0.2
130.06558	0.9
131.01915	0.2
132.04362	0.9
133.03494	0.4
133.06485	0.7
133.74190	0.2
134.99675	0.4
135.06810	0.4
142.03537	0.2
146.06020	100.0
147.04349	0.9
147.06343	1.1
148.03864	0.9
150.99159	0.3
153.03874	0.2
155.01724	0.2
157.07643	0.6
158.06046	1.0
160.04573	0.3
163.03922	0.3
165.05492	0.3
169.03510	0.4
171.01514	0.4
171.03339	0.2
171.05046	0.7
172.01601	0.3
172.95290	0.4
173.02856	0.3
173.07155	0.6
174.05554	0.2
175.00687	0.5
175.08655	0.3
184.08151	0.2
187.04562	0.3
189.06116	0.8
190.98668	0.3
191.00246	0.4
191.03891	0.3
191.08192	1.4
192.10249	0.8
193.01828	0.9
193.03435	0.2
197.01117	0.4
197.02986	0.3
207.05040	0.4
209.01286	1.2
211.02795	0.9
212.07896	0.2
213.02577	0.3
214.00169	0.2
214.02534	0.3
214.05638	0.3
215.03995	0.4
218.99759	0.4
219.05420	0.3
219.07703	2.0
220.04482	0.2
225.00664	0.3
225.06239	0.5
227.02243	0.3
229.03760	0.2
233.01413	0.4
233.05148	0.4
236.98596	0.4
237.00638	1.7
237.06161	1.8
237.08743	4.3
237.22160	0.5
238.05586	0.3
251.02591	0.7
255.01721	3.6
255.04189	0.2
255.07318	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41981	0.5
56.96576	3.1
58.95420	2.1
68.13699	0.5
71.55073	0.8
71.55432	0.6
71.95253	0.7
74.93161	1.6
76.01736	0.5
82.99873	2.2
91.88546	0.6
98.97585	20.1
99.97961	1.6
101.00885	33.8
116.98618	11.6
117.99030	3.2
119.01926	100.0
120.02042	2.0
124.02457	6.5
132.96576	0.7
133.03496	1.0
134.96948	0.6
134.99680	4.6
136.00063	2.7
137.02968	21.2
138.96381	0.8
140.97974	2.6
142.03506	73.1
143.03627	2.3
146.01012	0.6
152.97968	3.5
153.00638	0.8
156.05087	1.1
156.97537	3.0
157.03435	1.8
160.04564	17.5
165.05112	1.7
168.00375	1.3
170.99051	69.1
171.01430	2.9
171.99120	1.5
174.98570	2.0
176.45911	0.6
176.92131	0.6
177.00929	1.8
185.00618	0.8
185.02979	0.6
189.00098	74.6
190.00191	1.9
194.00667	1.7
194.93121	1.7
194.97531	2.6
194.99097	1.5
195.01312	0.5
198.98569	1.1
212.01709	1.3
212.94211	48.4
213.00125	36.7
213.02373	3.9
213.09718	1.0
213.94379	2.2
217.94666	0.9
218.97618	1.7
219.01999	1.4
230.95287	37.8
231.01169	48.3
231.10786	2.1
231.95502	1.6
232.01230	0.6
235.95775	30.8
236.01756	0.9
236.98625	47.1
240.00873	1.0
248.96367	1.9
251.00177	0.6
253.96785	14.2
254.02791	1.0
254.96152	2.0
254.99788	1.1
258.97418	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2056
Annotation	Callicarpenal
Peak:m/z	Relative Intensity
53.03947	2.1
55.01875	1.7
55.05268	0.8
55.05514	14.0
57.03435	3.7
57.07077	38.6
62.45842	0.9
65.03928	2.5
66.77296	0.9
67.05507	88.8
68.24474	0.8
69.03416	0.9
69.07071	14.5
71.04996	4.0
71.08633	5.7
71.17975	1.3
71.18309	1.9
75.45980	0.9
79.05490	22.8
81.07059	100.0
83.04993	2.2
83.08626	7.5
85.06544	12.8
85.10175	3.9
86.09703	5.2
91.05481	24.8
93.07048	27.5
95.04962	3.3
95.08609	81.4
97.06535	9.6
97.10176	3.9
97.47077	0.9
99.08111	10.8
105.07030	17.0
107.08598	14.5
109.06543	2.4
109.09453	1.8
109.10164	27.6
111.08070	7.5
112.28779	0.9
113.09647	5.4
117.07053	2.2
117.64093	0.9
119.08582	18.8
121.09316	1.5
121.10145	18.0
122.06067	1.1
123.04414	1.1
123.08049	4.9
123.11711	19.2
123.82495	0.9
125.09604	1.7
127.11182	2.9
129.07013	1.1
131.08572	1.0
133.10135	23.7
135.11702	14.9
137.09630	4.0
137.13264	22.0
137.14177	0.6
139.11211	2.0
147.11699	15.8
149.13286	6.0
151.11188	2.5
151.14838	9.4
153.12761	2.9
161.13264	12.0
163.14865	1.4
165.12740	1.0
169.72935	1.0
175.14825	5.6
179.10684	14.3
189.16391	3.4
191.17947	1.8
192.15382	1.1
217.19518	40.9
235.09471	2.2
235.13248	2.0
235.16942	54.1
235.20580	71.6
236.20847	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2058
Annotation	Nor-ent-labdan-7-en-aldehyde
Peak:m/z	Relative Intensity
50.66756	0.6
53.03949	1.6
55.01867	1.1
55.05516	13.5
57.03434	2.5
57.07079	22.8
65.03939	2.5
67.05510	88.4
69.07072	16.3
69.39622	4.6
69.40027	1.5
71.04991	3.2
71.08638	4.7
77.03951	0.7
79.05496	23.4
81.07063	100.0
83.04981	2.8
83.08623	8.8
85.06549	11.8
85.10175	4.1
86.09718	1.5
88.93733	0.8
91.05489	23.4
93.06467	1.4
93.07054	27.2
95.04982	2.4
95.08612	79.6
97.06537	8.4
97.10178	2.9
99.08103	11.7
101.42341	0.6
103.63443	0.6
105.07035	13.2
107.08602	13.7
109.06532	2.3
109.10167	25.9
111.08089	6.4
111.11736	1.1
113.09647	5.2
117.37014	0.6
119.07788	1.2
119.08593	16.5
121.10152	16.9
123.08038	3.5
123.11715	17.8
125.09650	1.1
127.11208	2.5
133.10141	23.7
135.11707	14.4
137.09613	4.3
137.13261	22.7
139.11179	2.1
143.08533	0.8
147.11696	14.4
149.09592	1.1
149.13264	5.2
151.11180	1.8
151.14824	8.9
153.12767	2.3
161.13260	12.2
163.14815	1.0
165.12810	1.3
167.14360	0.8
175.14870	5.8
177.16370	1.3
179.08572	0.6
179.10686	5.8
189.16348	4.2
191.17957	2.6
217.19533	40.7
218.20062	0.9
235.07599	1.2
235.17003	23.7
235.20575	72.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1693
Annotation	(E)-endo-beta-bergamotenoic acid
Peak:m/z	Relative Intensity
50.86891	1.6
53.03933	2.9
55.05514	10.5
55.37930	1.3
57.07082	18.4
59.05000	4.3
65.03928	2.5
67.05502	16.2
69.03383	1.7
69.07077	12.3
69.82173	3.1
69.82579	5.4
71.04996	22.4
73.06549	3.2
79.05500	14.7
81.07064	24.1
83.04961	5.5
83.08614	5.6
85.02915	1.5
86.09696	3.2
89.06025	5.9
91.05480	15.8
93.07049	32.1
95.05006	8.3
95.08044	2.7
95.08608	34.3
97.06536	4.4
97.10168	4.3
98.21452	2.0
105.07032	37.5
107.08595	76.8
109.06541	8.1
109.10160	33.8
111.08080	17.6
117.07030	2.2
119.08585	39.7
121.06533	3.0
121.10162	25.4
123.08060	5.4
123.11691	4.6
125.09638	21.4
127.07525	2.3
127.11179	1.8
129.07019	2.0
131.08571	12.4
133.10133	32.2
135.08058	3.3
135.11699	27.4
137.09576	5.8
143.08528	2.8
145.10123	15.2
147.08029	5.3
147.11693	59.8
149.09630	2.8
149.13243	6.0
151.07455	1.6
151.11224	2.6
153.09148	1.6
153.12683	4.1
157.10118	4.5
159.11737	4.6
161.09619	6.3
161.13205	6.2
163.11176	5.0
165.09096	2.9
165.12758	8.3
171.11679	2.2
173.13251	5.9
175.08705	2.3
175.11200	6.2
175.14841	11.9
176.09445	7.8
179.10684	15.8
189.12776	1.9
189.16391	49.4
193.15891	3.9
195.58742	1.5
198.83084	1.7
199.14766	5.1
207.17519	1.5
217.09727	5.7
217.15878	34.3
217.19402	3.1
235.10805	26.1
235.13264	3.8
235.16933	100.0
235.20671	3.6
254.75482	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1693
Annotation	(E)-endo-beta-bergamotenoic acid
Peak:m/z	Relative Intensity
53.03936	1.3
55.01872	1.9
55.05514	7.9
55.73270	1.1
57.07078	17.6
59.05007	1.7
61.34053	1.4
65.03947	1.1
65.84493	1.1
67.05508	13.2
69.03415	2.1
69.07070	10.8
69.43654	6.5
71.04997	23.8
73.06569	2.4
79.05500	10.2
81.07064	26.1
83.04966	3.5
83.08613	4.2
83.09058	1.1
85.06553	2.4
86.09713	2.6
87.08089	1.2
89.06059	6.4
91.05488	15.9
93.07049	28.1
94.59616	1.1
95.04974	7.4
95.08051	1.8
95.08618	28.5
97.06541	2.2
97.10185	2.3
105.07035	39.1
106.81860	1.3
107.08604	56.9
109.06537	7.0
109.09449	2.3
109.10162	30.9
111.08089	14.8
112.35489	1.2
117.06953	1.4
119.08589	40.0
121.06494	4.2
121.10153	20.9
123.08054	4.9
123.11733	2.4
125.05958	2.1
125.09647	23.0
127.07543	1.8
127.11227	1.8
130.07843	1.3
131.08571	12.0
133.10138	33.1
135.08064	2.9
135.11697	22.2
137.09625	2.6
139.07513	2.5
142.07785	1.5
143.08617	3.1
145.10107	18.5
147.08096	6.7
147.11699	60.4
149.09616	4.9
149.13239	5.0
151.07596	1.4
151.11192	1.9
153.09102	1.2
153.12752	3.8
157.10103	5.6
159.11728	4.8
161.09651	7.0
161.13219	6.5
163.11159	3.5
165.09116	3.5
165.12785	6.2
171.11633	3.2
173.13246	5.2
175.11259	7.5
175.14853	11.6
176.09418	2.8
178.13924	1.2
179.10681	13.4
187.18874	3.5
189.16396	50.8
191.17859	1.4
193.12225	1.7
193.15938	2.8
199.14854	4.2
207.17415	1.8
217.09746	2.3
217.12485	1.3
217.15924	27.2
217.19446	1.6
235.10898	8.8
235.16942	100.0
235.20882	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	235.1694
Annotation	(E)-endo-beta-bergamotenoic acid
Peak:m/z	Relative Intensity
55.01885	2.1
55.05513	10.9
57.07074	13.3
59.04999	3.9
65.03948	2.2
67.05220	1.7
67.05511	20.6
69.03426	2.2
69.07073	14.6
69.91994	6.4
71.04652	1.8
71.05004	27.8
73.06547	1.8
79.05502	15.3
81.07060	35.2
83.04967	5.4
83.08611	5.1
85.06529	2.6
88.07609	1.9
89.06023	8.6
89.07924	1.5
91.05483	15.1
93.07048	39.3
95.04973	9.9
95.08616	32.7
97.06506	3.2
97.10185	2.1
99.08097	2.9
105.07038	47.5
105.30029	1.6
107.04967	1.6
107.08606	83.2
109.06513	6.4
109.09453	2.7
109.10162	38.0
111.08085	16.8
119.08589	50.3
121.06479	4.4
121.10158	22.9
123.08078	4.6
123.11741	3.4
125.09650	27.7
125.78274	1.4
131.08571	13.8
133.10146	47.2
135.08089	2.8
135.11708	23.7
137.09613	4.6
139.07516	2.5
139.11131	2.0
143.08560	3.3
145.10144	21.7
147.08040	6.0
147.11702	83.6
149.09663	5.6
149.13245	6.0
151.07516	2.1
151.11066	1.9
153.09137	1.6
153.12746	6.8
157.10144	8.3
159.11687	9.8
161.09608	5.5
161.13255	8.9
163.11212	4.3
165.09122	2.2
165.12782	11.3
173.13243	7.0
175.11188	10.3
175.14847	15.8
177.38573	1.6
179.10693	11.5
187.18842	5.9
189.16391	75.9
193.12256	3.4
193.15886	3.7
199.14873	6.3
217.15910	38.9
235.10725	7.1
235.13205	3.7
235.16942	100.0
235.20543	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	235.1694
Annotation	1(10),4-Cadinadien-14-oic acid
Peak:m/z	Relative Intensity
53.03930	2.4
55.01868	2.0
55.05505	9.1
56.64415	1.5
57.07080	22.7
59.04988	3.9
67.05217	1.6
67.05508	16.7
69.03411	4.5
69.07074	11.7
70.89791	1.5
70.90118	2.6
71.05000	22.2
73.06555	3.3
74.90658	1.5
79.05498	12.8
81.03441	1.5
81.06641	2.1
81.07072	25.0
83.04980	4.5
83.08617	5.2
85.06527	2.8
86.09702	2.2
89.06031	6.5
91.05488	16.0
93.07053	26.7
95.04984	8.1
95.08611	23.6
97.06513	4.1
97.10149	1.4
98.97538	1.6
99.08089	1.8
105.07038	41.9
107.08604	56.6
109.06556	8.5
109.09464	2.5
109.10166	28.9
111.08082	12.3
117.07015	3.0
119.08588	38.3
121.06493	3.6
121.10155	20.3
123.08069	4.6
123.11653	2.5
125.09648	23.1
127.11231	1.9
131.08562	13.0
133.10135	29.9
135.08043	3.4
135.11697	17.8
137.09608	9.1
139.07520	2.0
142.07787	1.9
143.08572	4.1
145.10127	17.3
145.26457	1.4
147.08073	6.6
147.11700	61.2
149.09604	5.4
149.13275	2.1
151.07515	1.7
151.11179	3.2
153.09100	1.4
153.12791	2.6
157.10135	7.9
159.11679	7.3
161.09654	6.6
161.13255	5.9
163.11174	2.3
165.09105	3.4
165.12773	6.0
173.13274	6.9
175.07576	17.4
175.11191	9.3
175.14824	12.8
177.12746	1.9
179.10680	13.9
189.12747	2.4
189.16389	40.1
193.12164	1.8
193.15898	5.2
199.14812	6.0
207.17390	2.8
217.15916	33.7
235.07578	1.7
235.10991	3.2
235.13211	4.5
235.16939	100.0
236.17418	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	235.0602
Annotation	HOHPDA
Peak:m/z	Relative Intensity
55.01872	1.6
56.96567	1.6
57.07077	6.7
58.44521	0.6
63.02384	0.5
63.55897	0.5
69.07064	0.7
71.02628	1.2
72.93790	0.8
76.42693	0.5
79.05496	2.0
80.18204	0.5
81.03433	0.5
86.09688	0.9
89.03943	1.3
91.05470	2.9
95.08611	0.6
103.05469	1.6
105.03371	0.6
105.07033	4.5
107.04983	0.8
115.05456	34.9
117.03414	0.6
117.07017	1.4
119.04945	2.0
122.31216	0.6
123.04444	1.4
127.85847	0.6
130.04144	0.5
131.04929	1.5
133.06508	4.8
135.04434	2.8
143.04929	53.0
145.06482	3.3
145.31377	0.5
147.04422	26.8
147.08015	0.7
149.05968	1.0
159.04398	0.6
161.05988	74.3
162.06352	0.8
163.03903	5.1
163.07538	0.7
163.52037	0.7
165.05508	4.3
168.95999	0.6
171.04414	15.3
172.60425	0.6
173.06018	1.2
175.03906	8.9
175.07458	0.9
177.05458	0.7
179.03383	1.1
179.10632	4.2
189.05476	100.0
190.05771	1.2
191.03400	2.2
193.04994	1.2
199.03973	3.1
207.06459	2.7
217.04988	12.6
221.01254	0.6
223.02827	0.6
224.98543	1.1
234.96942	0.6
235.06009	26.7
235.16922	15.7
235.20575	0.8
252.98003	1.3
253.03806	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.4
55.01872	1.9
55.05270	0.7
55.05512	11.9
57.03419	3.0
57.07081	7.1
65.03933	1.4
67.05508	34.8
67.05873	1.7
69.07072	10.3
69.38167	1.4
69.38571	4.7
71.05008	5.2
71.08633	1.7
77.03915	0.8
79.05496	53.1
80.05786	0.7
81.07060	36.9
83.04983	1.4
83.08627	7.3
85.06545	6.2
91.04905	0.6
91.05486	29.3
93.07049	66.9
95.04963	5.5
95.08610	26.8
97.06538	7.3
97.10157	2.1
98.21549	1.5
99.08098	5.1
103.05461	0.8
105.04472	0.9
105.07031	21.3
105.67239	0.7
107.04951	1.1
107.08598	38.0
109.06502	2.9
109.10165	11.5
111.08089	7.6
113.09657	1.4
115.05448	1.0
117.07022	11.6
119.08583	16.3
121.06495	0.8
121.10146	36.8
123.08053	2.9
123.11712	7.3
125.09628	1.9
129.06995	1.7
130.07825	0.8
131.08575	24.6
133.10138	22.3
135.08066	3.2
135.11699	50.5
137.09610	4.1
137.13275	1.8
139.11156	1.4
144.09367	1.1
145.10133	24.1
147.11691	14.4
149.09650	5.3
149.13260	25.9
151.11185	2.9
157.10153	1.3
159.11694	18.3
161.13258	4.2
163.11206	1.9
163.14771	1.5
165.12711	0.7
171.11636	1.1
173.13271	16.3
175.14906	2.4
177.05309	1.1
177.12753	1.1
178.06337	0.8
187.11113	0.8
187.14824	7.4
189.16397	2.7
191.14328	1.3
205.15884	0.9
205.19473	2.6
215.17964	65.7
216.18260	1.1
233.19014	100.0
234.16188	0.8
234.19333	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1901
Annotation	Gibbilimbol A
Peak:m/z	Relative Intensity
53.03947	4.2
55.05516	14.4
57.03434	2.9
57.07063	7.9
59.03019	1.7
65.03934	1.8
67.05176	2.4
67.05511	35.6
68.68451	1.8
69.03417	2.5
69.07072	12.2
70.81398	4.0
70.81757	2.6
71.04982	3.9
79.05065	3.5
79.05499	64.9
81.07069	41.3
83.04997	2.7
83.08616	6.2
84.59922	1.7
85.06551	11.1
87.83907	1.6
91.04961	3.0
91.05487	35.5
93.07055	68.6
95.04963	8.8
95.08617	24.8
97.06529	7.0
99.08087	3.7
99.18892	1.7
105.07033	25.6
107.04960	10.9
107.08611	46.4
109.06499	5.4
109.10141	12.0
111.08065	7.0
117.07030	13.3
119.08594	20.2
121.06523	3.1
121.10159	39.1
123.08055	3.9
123.11718	4.9
125.09685	3.8
129.07060	2.2
131.08586	30.8
133.10129	23.8
135.08051	4.7
135.11699	47.0
137.09634	4.4
145.10130	23.7
147.08052	1.8
147.11711	18.3
149.09625	7.0
149.13277	22.2
151.11108	4.2
159.08075	4.4
159.11734	20.8
161.13283	4.1
163.11179	3.4
173.09601	2.8
173.13286	20.4
175.14793	3.2
187.07616	2.3
187.11276	2.4
187.14818	8.9
189.16388	4.6
191.14351	9.2
197.13237	2.2
203.08626	3.0
205.19467	3.8
215.07010	5.6
215.10664	1.7
215.14575	3.3
215.17979	63.8
216.18462	1.7
218.10878	3.5
233.08066	4.0
233.11613	7.2
233.13339	8.7
233.15443	20.6
233.19020	100.0
234.19217	1.9
235.52234	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	233.19
Annotation	Gibbilimbol A
Peak:m/z	Relative Intensity
50.32880	0.6
51.02381	0.6
52.01429	0.5
52.95112	0.7
53.03937	2.1
55.01867	1.6
55.05264	0.8
55.05510	12.5
57.03425	2.2
57.07080	5.9
65.03926	1.7
67.05508	35.8
69.07068	9.1
70.64786	2.0
71.04999	5.0
71.08610	1.2
77.03935	0.7
79.05495	55.9
81.07059	38.1
83.04982	1.6
83.08619	6.0
84.10694	0.6
85.06547	7.6
91.05485	29.8
93.07048	63.1
95.04955	4.9
95.08611	25.3
97.06532	6.2
97.10167	2.2
99.08091	3.6
105.04531	0.9
105.07036	21.6
107.08599	41.5
109.06530	3.8
109.10168	9.6
111.08086	6.5
111.11702	1.0
113.09634	1.5
115.05309	0.7
117.07018	10.2
119.07789	1.0
119.08588	16.5
121.10149	40.0
123.08064	2.7
123.11723	6.8
125.09618	2.2
129.06961	1.4
130.07773	1.1
131.08569	26.1
133.10141	23.7
135.08038	2.3
135.11697	48.0
137.09618	3.9
137.13269	2.1
139.11166	1.8
143.08565	0.9
145.10130	27.0
145.11287	1.4
147.11699	14.9
149.09653	4.8
149.13260	23.0
151.11209	4.1
152.24966	0.7
157.10110	1.2
159.11699	18.3
161.13271	4.5
163.11195	2.1
165.12781	0.9
171.11786	1.1
172.12555	0.7
173.13275	18.0
175.14780	3.6
177.12778	1.3
187.14841	7.7
189.16373	3.9
191.14259	1.1
205.19504	2.6
215.14539	1.3
215.17960	65.8
233.19011	100.0
234.19304	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1537
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
53.03936	3.5
53.06360	1.2
55.01870	1.9
55.05515	8.7
56.82359	1.3
57.03437	1.5
57.07063	5.0
57.18609	1.2
59.04987	2.8
62.45885	1.2
63.44776	1.1
63.88848	1.2
67.05509	14.6
69.03130	1.5
69.03437	19.7
69.07062	10.7
70.06577	1.4
71.04971	5.4
71.56435	1.5
77.03933	1.3
79.05494	34.5
81.03427	3.1
81.07063	17.6
83.04982	5.2
83.08611	4.5
85.02888	2.6
85.06545	4.7
88.07600	2.3
91.05489	22.9
92.76972	1.3
93.07047	21.4
95.04969	19.9
95.08624	18.0
97.06519	3.2
100.80282	1.2
103.05446	2.5
105.06386	2.1
105.07043	33.0
107.04285	2.3
107.04962	27.0
107.08601	24.2
109.06519	7.3
109.10155	10.3
111.04433	2.9
111.08067	3.4
113.06001	3.3
115.05437	2.6
117.07034	8.7
119.08587	77.0
121.06500	5.3
121.10148	20.9
123.08055	5.6
123.11715	4.7
125.09600	2.9
128.06241	2.1
129.06989	5.6
130.07791	3.0
131.08571	26.1
133.06485	5.8
133.10138	22.9
134.10847	1.3
135.08037	5.2
135.11696	5.2
137.09604	8.9
140.96465	1.4
142.07756	2.0
143.08560	6.5
144.09348	2.2
145.06503	2.6
145.10121	37.4
147.06659	1.5
147.08055	32.6
147.11696	17.0
149.09621	12.3
149.13283	3.0
151.11209	1.9
153.09055	2.0
155.08539	2.6
156.09320	2.9
157.10129	11.3
158.10895	3.4
159.08089	8.7
159.11714	18.3
161.09750	2.8
161.13275	4.5
163.07495	2.7
163.11185	5.5
163.14821	3.3
165.09187	1.6
167.08511	3.7
169.10103	2.4
169.23088	1.2
171.11688	7.6
172.12491	2.2
173.09677	7.2
173.13289	19.9
175.11211	14.0
175.14671	2.0
177.09071	7.5
182.10941	4.1
185.09566	1.4
187.07581	1.5
187.11166	3.7
187.14827	22.9
189.12762	6.7
189.16382	4.9
191.10674	2.9
191.14313	33.7
197.13280	7.5
205.12123	1.5
205.15968	2.7
208.08528	1.4
215.07108	2.0
215.10815	2.0
215.14360	20.7
215.17830	9.3
233.06117	1.7
233.08055	3.0
233.11618	4.6
233.15375	100.0
233.18938	17.4
233.22937	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	233.1537
Annotation	Hypacrone
Peak:m/z	Relative Intensity
51.06290	1.0
52.38092	1.0
52.70382	1.0
53.03949	2.6
55.01868	1.7
55.05515	5.4
56.96550	1.9
57.07059	4.4
63.29418	0.9
67.05511	5.3
69.03426	5.5
69.07050	2.9
70.23169	3.6
71.04996	1.9
79.05497	45.0
81.07059	7.4
83.04980	3.3
83.08620	6.1
85.06540	4.4
91.05482	8.1
93.07056	10.0
95.04953	4.2
95.08599	6.7
97.06506	1.2
105.07045	14.9
107.04961	41.2
107.08597	13.5
109.06519	2.5
109.10172	2.9
111.08070	3.8
113.06013	2.1
114.44530	1.1
117.07008	4.0
119.08590	17.0
121.06469	2.0
121.10125	8.2
123.08054	2.0
123.11736	1.4
125.09635	2.7
125.12804	1.2
128.06213	1.3
129.06987	2.8
130.07852	1.9
131.08562	14.6
132.09351	1.2
133.06508	1.8
133.10139	9.1
135.08070	4.7
135.11737	2.0
137.09631	4.3
142.07793	1.4
143.08601	1.7
145.06516	1.8
145.10117	16.5
147.08061	16.9
147.11696	13.7
149.09671	8.2
149.13271	4.0
156.09346	1.6
157.10147	6.2
158.10896	1.4
159.08035	2.7
159.11690	4.0
163.07535	1.9
163.11188	5.7
173.09601	1.8
173.13293	10.6
175.02763	1.6
175.11183	20.7
177.09145	1.3
187.11162	1.2
187.14830	6.4
189.12746	5.1
190.13576	1.5
191.06911	1.1
191.14317	56.7
197.13266	2.8
201.00694	1.3
205.15953	1.7
215.07054	2.6
215.10722	1.1
215.14336	8.3
215.17969	1.4
217.15936	1.4
233.11636	4.3
233.15373	100.0
233.18785	10.2
250.27179	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1538
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
53.03933	3.0
55.01857	5.2
55.05515	7.0
57.07056	6.7
59.04991	5.6
61.67658	1.5
67.05515	16.4
69.03132	1.5
69.03432	15.6
69.07068	9.4
69.41670	11.2
71.04977	5.2
79.05121	1.9
79.05499	18.7
81.03432	2.2
81.07063	15.0
81.35787	1.4
83.05000	10.9
83.08627	2.8
85.02914	3.2
85.06550	11.6
91.04963	2.5
91.05487	32.1
93.06472	2.0
93.07042	25.3
95.04967	13.3
95.08615	13.9
97.02883	3.6
97.06535	8.6
98.21501	3.5
99.04453	1.8
103.05447	2.4
105.06384	2.3
105.07039	37.5
107.04969	8.6
107.08611	34.3
109.06508	6.7
109.10170	10.5
111.04401	3.1
111.08071	7.2
113.06005	4.2
115.05444	3.7
116.06259	2.5
117.06998	14.1
119.04892	3.0
119.08590	28.5
120.08130	1.7
121.06499	11.3
121.10159	29.7
122.07285	5.1
123.04426	2.5
123.08034	5.8
123.11678	1.6
125.05988	2.0
125.09617	5.1
127.07567	3.3
128.06209	3.1
129.07027	8.6
130.07773	3.9
131.08580	38.0
133.06491	2.9
133.10130	16.9
135.08037	10.4
135.11668	5.9
137.05960	5.3
137.09637	23.9
139.07512	2.4
141.06946	2.4
143.08592	7.1
145.06491	3.9
145.10129	61.4
145.11284	3.1
146.10899	2.6
147.08087	13.9
147.11690	8.2
149.05988	2.6
149.09624	39.1
149.13263	2.6
151.11191	3.7
153.09094	7.4
157.10100	8.2
158.10883	3.0
159.08086	9.0
159.11702	12.9
160.05135	1.7
161.05922	5.8
161.09581	3.7
161.13275	3.7
163.07599	3.4
163.11221	8.2
163.14827	2.3
164.38354	1.5
167.08524	2.0
169.10144	3.6
171.11641	6.2
172.08667	1.7
172.12543	2.4
173.05934	1.8
173.09610	6.1
173.13266	25.0
175.07605	2.3
175.11253	8.5
177.09181	7.4
187.07536	2.8
187.11177	5.4
187.14850	22.6
189.09058	2.6
189.12672	4.2
191.10640	5.4
191.14281	7.2
191.18112	1.5
197.13237	3.6
205.06512	2.6
205.12286	2.4
205.15887	3.9
215.07132	5.5
215.10719	4.2
215.14214	15.2
215.17928	1.8
233.07994	3.3
233.11909	7.5
233.15349	100.0
233.19070	5.7
243.30669	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47614	0.4
55.01872	0.8
55.93534	2.3
58.31549	0.4
59.90983	0.4
60.04530	9.2
67.05497	0.6
69.03436	0.9
69.07069	0.7
69.93058	1.2
69.93456	1.0
72.93812	2.0
73.02934	0.5
79.05495	1.5
81.03405	0.7
81.07061	0.7
85.02919	0.6
85.04025	0.5
86.09710	100.0
87.10069	0.5
89.03949	0.5
90.94850	0.8
91.05486	1.9
93.07034	0.5
95.04974	0.8
97.01128	0.6
97.02890	0.7
98.20766	0.5
102.05553	3.2
103.05482	4.3
105.07044	1.8
107.04979	1.6
107.08623	0.7
111.02683	1.1
115.05456	2.9
116.59856	0.4
117.07019	2.0
119.04953	2.2
119.08595	0.8
119.41701	0.4
120.06593	17.6
121.02899	1.2
123.04443	2.2
125.04229	0.5
128.06215	0.7
129.07010	1.3
130.05025	1.3
131.04945	12.7
131.08595	1.4
132.05295	0.4
133.06535	1.6
135.08044	0.6
137.04256	1.0
141.07019	1.5
143.04962	0.5
144.05702	1.1
145.06503	4.7
145.10133	1.0
147.04420	0.9
149.06010	1.3
155.05099	0.8
157.06485	3.5
159.04395	3.1
159.08055	2.9
161.05978	2.7
163.03946	1.2
163.07564	0.6
169.06555	1.7
172.05211	0.8
173.05997	4.9
175.07564	0.6
177.05481	1.6
184.05162	0.6
185.05997	4.0
187.03952	2.1
187.07539	4.3
187.11211	0.5
191.03464	0.8
191.07036	0.5
191.10597	0.5
192.99474	0.6
197.06053	1.5
200.04755	0.9
202.97899	1.1
203.07028	0.6
204.99577	0.9
205.04944	2.3
208.99049	0.6
212.98656	0.4
215.03445	1.3
215.07043	4.7
215.14035	0.9
218.97417	2.2
220.98967	1.3
231.98335	1.2
232.95248	0.5
232.98997	2.8
233.04453	1.4
233.08005	4.2
233.11734	0.9
233.15157	2.6
233.18964	0.6
236.98381	2.4
248.98500	0.8
249.99008	0.5
250.99992	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1172
Annotation	7,8-Dihydrokavain
Peak:m/z	Relative Intensity
53.03934	2.6
55.01873	3.7
55.05492	2.5
56.96549	0.7
57.03428	1.0
58.72351	0.7
65.03932	3.1
67.05222	0.8
67.05507	8.9
69.03436	10.1
69.07063	1.5
71.04986	1.4
71.30564	1.0
77.03924	1.1
79.05496	43.3
81.03430	5.9
81.07064	18.8
83.04960	1.7
87.04452	1.2
91.05486	22.8
93.03391	0.8
93.07048	5.4
95.04974	9.7
95.08592	2.6
97.06536	6.8
99.04433	2.8
103.05453	1.7
105.03388	2.0
105.04516	0.8
105.07038	10.0
107.04956	7.6
107.08562	3.1
109.06529	10.1
111.04421	1.6
114.27350	0.6
115.03934	1.3
115.05451	7.6
116.06227	1.4
117.07023	25.5
119.04945	2.1
119.08562	6.6
120.05680	0.9
121.06516	6.4
121.10121	1.2
123.04453	1.0
123.08098	1.1
125.06029	3.7
128.06186	3.3
128.26682	0.6
129.07007	5.5
129.40414	0.7
130.07817	0.8
131.04948	5.7
131.08572	29.0
133.06502	4.6
133.10150	1.5
135.04373	2.1
135.08060	18.8
141.06998	5.3
142.75340	0.6
143.08589	3.4
144.05637	1.2
144.09312	1.7
145.06499	22.9
145.10089	3.9
147.04341	0.7
147.08044	2.9
147.11603	0.7
148.08865	0.8
149.05992	0.8
154.07777	2.5
155.08498	1.4
157.10138	0.9
158.07314	1.4
159.08066	35.8
159.11676	7.9
160.08823	5.1
161.09563	1.2
163.07567	1.4
167.07028	4.0
169.10184	3.9
173.05927	0.8
173.09627	1.5
177.09094	2.4
180.67061	0.7
187.07542	2.3
187.11191	20.4
187.14778	0.9
191.07022	2.2
205.08578	10.7
205.12204	1.1
215.07106	1.2
215.10698	7.1
215.17923	0.7
233.11723	100.0
233.15483	3.2
234.12056	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1544
Annotation	Butyryl-L-carnitine
Peak:m/z	Relative Intensity
53.20441	0.2
53.69000	0.2
57.03131	0.1
57.03445	1.1
58.06613	0.4
59.07409	0.3
60.08167	8.2
69.03423	0.4
70.03748	0.4
71.04986	2.0
71.28851	0.4
72.93773	0.2
76.21210	0.2
78.79977	0.2
84.08164	0.5
85.02908	100.0
86.03248	0.6
87.00787	0.2
91.05499	0.3
98.03233	0.2
103.05493	0.3
107.04984	0.5
115.05465	0.4
119.04964	0.4
123.04362	0.2
128.04314	0.4
129.07858	0.3
130.07338	0.4
130.34195	0.2
131.04939	1.2
144.10185	2.0
148.04890	0.3
149.05946	0.2
149.23749	0.2
158.06781	0.5
159.04347	0.5
173.05934	0.6
173.08112	9.3
174.12848	0.4
176.07846	0.3
186.06264	0.2
187.07587	0.2
204.07440	0.3
214.05739	0.4
218.97325	0.3
232.03270	0.4
232.06796	0.8
232.15430	22.5
232.98871	0.3
233.08167	0.3
233.15689	0.3
236.98343	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	12.7
61.02930	3.3
65.61526	2.7
79.05923	2.5
82.99872	3.0
97.96800	4.2
98.97574	6.4
101.00879	13.8
110.97638	3.3
119.01943	22.3
128.98611	6.0
131.00151	4.1
133.03476	4.2
137.03001	3.3
143.01892	32.8
157.03493	8.5
161.02925	36.8
185.02916	3.2
190.98755	3.3
191.04059	3.6
233.06363	100.0
251.04367	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	231.232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93843	3.8
55.05516	58.6
57.07079	31.9
58.06599	9.3
61.97702	3.5
69.03422	15.9
69.07071	100.0
69.86945	15.1
71.05047	4.0
71.08629	7.5
81.03421	18.7
81.07059	6.4
83.08622	64.9
83.92188	3.7
85.02905	7.0
91.05492	7.2
97.02909	3.6
97.10190	42.4
105.07035	7.5
111.11695	16.2
119.08592	7.3
129.06995	4.2
145.10065	4.3
157.10054	3.8
185.13260	3.7
189.09315	5.4
213.12820	4.6
231.06543	5.4
231.13844	13.7
231.17427	7.7
231.25026	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	231.0653
Annotation	Coniochaeton A
Peak:m/z	Relative Intensity
50.53458	0.6
52.40422	0.6
53.03942	3.2
55.01865	1.6
55.05506	1.0
57.03428	1.3
63.21627	0.6
68.99793	31.6
69.03075	1.4
69.03432	22.4
69.23263	7.4
71.04988	1.8
81.03418	10.4
81.07051	0.7
83.04986	1.2
85.02910	10.5
87.00830	3.4
91.05477	4.8
93.07047	1.6
95.08562	0.9
97.02896	2.7
99.04442	4.5
103.05441	2.2
105.07022	2.1
107.04952	4.9
107.08609	0.8
109.02882	4.5
110.03693	1.1
111.00807	2.0
115.05460	5.0
117.07018	3.0
119.04953	11.6
119.08551	2.1
121.02860	1.6
121.06500	9.1
121.10159	1.3
127.03941	6.0
128.06213	4.9
129.07030	6.8
131.08640	0.8
133.06482	1.4
133.10138	2.7
135.08058	2.3
139.05429	4.2
141.06973	1.8
143.08568	2.2
145.04872	0.7
145.06519	8.3
145.10106	1.2
147.04416	82.0
147.08037	2.2
147.11673	1.2
148.04819	0.7
155.06075	1.7
157.06496	34.7
157.10104	1.5
159.08089	0.9
161.05991	5.1
167.04959	2.2
169.06425	0.7
170.10876	1.2
171.04381	13.8
171.05592	1.1
171.08029	0.8
171.11699	1.0
173.13229	0.8
175.07553	3.1
184.33458	0.8
185.05983	16.1
185.13266	2.6
189.05437	2.7
195.04469	2.4
195.11655	0.9
203.07048	21.9
213.03699	1.2
213.05486	11.1
213.12732	2.7
231.06540	100.0
231.13760	3.9
231.17375	1.1
232.06876	0.9
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
50.19464	1.1
53.03954	14.7
55.01868	1.4
55.05515	1.3
55.23235	1.1
57.03427	4.1
61.02901	1.0
61.18293	1.1
67.05504	1.8
67.32838	1.2
68.99797	4.0
69.03433	100.0
70.74862	3.0
71.04994	12.9
73.42153	1.2
79.05518	1.8
81.03423	45.8
85.02908	45.3
87.00833	23.0
91.05464	2.5
93.07079	1.4
93.28588	1.3
95.08603	1.6
97.02898	12.7
99.04456	30.6
100.44270	1.1
102.86653	1.4
105.01871	3.3
105.07017	3.4
108.53762	1.2
109.02885	18.2
119.08593	2.9
127.03923	27.2
128.06198	1.5
129.06985	2.3
131.08563	1.4
133.10162	1.9
142.07748	1.4
143.08556	3.2
145.04985	2.5
145.10086	1.9
147.11667	1.8
157.10141	2.9
159.11801	1.3
161.09642	1.3
161.13203	2.5
171.11723	1.9
173.09639	1.4
175.07524	1.8
185.13289	3.1
203.10620	1.4
203.14326	2.4
213.03978	5.9
213.12843	2.7
224.30257	1.4
230.24905	1.1
231.04933	5.8
231.10159	3.5
231.13857	12.4
231.17451	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	231.0502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99617	1.3
53.03951	16.4
55.01865	2.8
55.05508	3.8
57.03434	3.9
61.02910	1.5
65.65659	1.1
66.59515	1.2
67.05499	5.6
68.77341	1.2
68.99798	3.4
69.03435	100.0
69.07057	1.9
69.70889	1.1
69.92863	6.4
71.05001	13.0
79.05494	4.9
81.03423	50.2
81.07037	4.3
83.01325	1.8
85.02912	46.1
87.00832	22.4
91.05491	11.0
93.07039	5.4
95.04981	1.9
95.08613	4.5
96.20229	1.0
97.02895	35.7
99.04459	26.3
104.15950	1.3
105.01864	4.2
105.07018	9.4
107.08582	2.6
109.02897	19.5
115.05486	3.5
117.07028	7.3
118.74245	1.2
119.04929	1.2
119.08596	7.3
121.06483	1.5
121.10147	1.8
127.02988	1.9
127.03925	34.3
128.06244	5.6
129.07002	24.5
131.08563	7.1
133.06526	3.3
133.10126	5.5
141.07021	2.9
142.07770	6.9
143.08556	9.1
145.04974	2.6
145.06497	2.0
145.10152	3.7
147.08049	5.0
147.11682	2.3
155.04887	1.9
156.09348	1.9
157.06554	7.4
157.10152	13.2
159.08075	1.4
159.11707	1.7
160.76691	1.4
161.09607	1.9
167.08594	2.2
169.10181	4.1
171.08038	1.4
171.11671	6.2
173.09595	1.3
174.18549	3.3
175.07570	4.3
175.11191	3.1
185.09578	9.7
185.13266	6.2
187.11134	1.4
189.09119	2.5
189.12816	2.0
203.10670	3.2
203.14417	1.5
213.03981	5.5
213.09192	2.3
213.12732	6.7
213.16415	1.8
230.24821	4.3
231.02861	2.6
231.04741	6.8
231.10176	14.5
231.13805	21.8
231.17297	7.1
231.21094	3.2
231.25153	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93058	0.6
53.03951	9.9
55.01878	1.1
55.05519	1.5
57.03429	3.5
57.07079	1.8
58.06602	7.5
61.02936	0.9
62.06073	0.9
62.47664	0.8
67.05495	0.8
68.99798	1.9
69.03433	79.2
69.07075	1.8
69.69584	2.4
69.69995	2.1
71.01335	0.8
71.04999	9.0
81.03422	100.0
83.01323	0.7
83.04993	1.6
83.08608	1.0
85.02911	31.0
87.00835	15.4
91.05498	1.6
97.02898	17.6
99.04459	17.6
105.01866	1.9
105.07033	1.9
107.08595	0.7
109.02882	11.8
111.00852	0.9
119.08618	2.0
121.10229	0.9
121.28396	0.6
127.03919	18.1
127.04789	1.2
129.07060	0.8
131.08568	1.1
143.08546	1.6
145.04991	1.5
145.10147	1.0
147.08022	1.0
157.10178	1.2
161.06029	0.9
175.01668	1.1
185.13332	1.0
189.09084	0.9
201.87430	0.8
203.10760	0.8
212.23820	1.0
213.04002	1.1
213.12801	1.2
216.04109	1.0
230.24788	10.2
231.04912	8.3
231.08372	1.0
231.10237	1.7
231.13881	2.9
231.17432	1.6
231.21140	1.4
231.25209	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	231.0502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	13.7
55.01870	1.8
55.05511	2.8
56.96568	2.4
57.03425	3.7
61.02911	1.4
67.05507	1.8
68.99794	3.2
69.03436	100.0
69.07065	1.2
69.52479	7.3
71.05001	11.2
79.05482	2.9
81.03426	39.8
81.07043	2.8
83.04958	1.5
85.02914	37.2
85.55368	1.0
86.93266	0.9
87.00840	20.0
91.05482	4.4
93.07042	3.6
95.08627	2.3
97.02902	12.3
98.97616	4.5
99.03833	1.9
99.04461	28.0
105.01868	2.8
105.07040	5.2
107.08598	3.3
109.02892	19.2
111.04408	1.0
115.05486	1.9
116.98624	2.4
117.07015	3.0
119.05070	0.9
119.08588	4.3
121.06492	1.5
121.10165	1.8
127.03931	26.1
128.06250	1.9
129.07005	8.7
131.08543	3.4
133.06480	1.7
133.10130	4.8
134.54732	1.0
134.99692	1.7
135.08006	1.1
137.75685	0.8
141.06956	1.1
142.07794	2.9
143.08566	3.4
145.04912	2.4
145.06511	2.2
145.10098	3.2
147.04329	1.3
147.08118	1.2
147.11662	2.1
155.08563	1.4
157.06468	2.9
157.10138	7.4
158.10896	1.2
159.08028	1.6
159.11751	1.5
161.13202	2.0
166.54541	1.1
167.08582	3.4
170.10921	1.3
171.07973	1.5
171.11676	2.7
173.09653	2.0
175.07593	2.0
175.11139	1.1
177.00674	1.6
185.07184	1.6
185.09631	3.5
185.13258	3.1
187.11237	2.6
189.12715	1.3
203.10730	1.0
213.03931	3.0
213.09077	2.2
213.12791	2.5
213.16357	2.2
231.02985	1.4
231.05000	4.0
231.06833	1.6
231.10072	9.7
231.13789	11.2
231.17503	7.3
231.20984	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	231.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03699	1.0
53.03948	16.5
55.01872	1.8
55.05510	1.0
56.96568	0.6
57.03435	3.6
58.32664	0.7
61.02923	2.0
67.05502	1.4
68.99786	3.0
69.03431	100.0
69.07095	0.6
69.57964	4.2
71.01302	0.7
71.04993	13.1
79.05488	1.4
81.03419	42.8
81.07066	1.1
83.01349	1.1
83.05012	0.7
85.02909	43.3
87.00835	20.2
88.24996	0.7
91.05493	2.6
93.07062	1.1
95.04938	0.8
95.08622	1.2
97.02895	16.5
97.06522	0.6
98.97628	0.6
99.04459	27.2
105.01849	3.1
105.07056	3.2
107.04990	0.8
107.08607	0.8
109.02885	20.9
109.06522	0.6
115.05506	0.8
117.07062	1.6
119.08601	3.2
121.10161	0.9
123.04435	0.6
127.03925	27.6
128.06241	1.4
129.07021	4.1
131.08591	2.2
133.10178	1.2
137.06094	0.7
142.07791	1.6
143.08574	3.4
145.04997	2.4
145.10138	1.9
147.08131	1.2
147.11789	0.7
157.06491	1.1
157.10161	3.6
158.63370	0.6
159.11865	0.5
161.06099	0.7
161.09647	0.9
161.13293	1.4
169.10364	0.6
171.08105	1.1
171.11771	0.9
175.07639	2.2
175.14841	1.1
180.09346	0.9
185.07069	0.8
185.09671	2.1
185.13329	2.6
189.09120	1.0
189.12810	0.9
203.10727	1.1
203.14337	1.4
213.04002	4.2
213.12735	1.3
213.16498	0.8
231.04860	4.9
231.10141	2.9
231.13770	10.2
231.17513	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.05
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	14.7
55.01865	1.9
55.05512	1.4
57.03444	4.4
57.07084	0.6
61.02933	1.8
67.05507	0.9
68.99797	3.2
69.03432	100.0
69.07058	0.7
71.01365	0.8
71.04996	12.1
71.26902	1.3
79.05489	1.1
79.78132	0.5
81.03420	48.3
81.07047	1.4
83.01348	1.5
83.04993	2.3
83.08638	0.6
85.02908	46.6
87.00832	24.9
87.04523	0.6
91.05487	1.2
93.07059	1.3
95.04988	0.7
95.08638	1.0
97.02896	15.1
99.04458	25.5
99.05106	1.3
105.01852	3.1
105.07047	3.3
107.08611	2.0
109.02128	1.0
109.02885	16.6
109.10159	0.8
111.00842	1.0
117.07005	0.6
119.08621	2.3
121.10159	0.6
125.01566	0.8
127.03922	29.3
128.06241	0.9
129.01788	0.8
129.06996	0.7
131.08588	0.8
133.10168	1.5
143.08632	1.5
145.05011	2.5
145.10201	1.3
147.11688	1.1
154.29581	0.6
157.10170	2.0
160.69160	0.6
171.02953	1.2
171.05777	2.4
171.08015	0.6
171.11725	1.1
173.13356	0.8
185.13329	1.8
189.12807	0.6
191.02348	0.6
213.03976	4.3
213.12793	1.2
213.16583	1.0
231.04903	5.8
231.07191	1.1
231.09389	6.0
231.11945	1.0
231.14008	3.7
231.17355	2.8
231.21042	1.2
238.12474	0.6
241.07953	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.7
53.03951	11.3
55.01868	1.4
55.05503	1.4
56.34649	0.6
57.03438	2.9
58.45888	0.5
61.02934	1.4
62.94184	0.6
67.05511	0.8
68.99804	4.1
69.03434	100.0
69.07076	0.8
71.05000	9.3
71.56186	0.9
71.56576	0.8
79.05502	1.5
81.03422	42.3
81.07064	1.3
83.01347	0.8
83.05003	0.8
85.02910	44.4
87.00834	21.3
91.05495	1.9
93.07053	2.1
95.08648	1.2
97.02903	12.7
99.04459	21.4
101.02393	0.7
105.01885	2.5
105.07051	2.8
107.05034	0.8
107.08630	1.6
109.02888	17.1
115.05452	1.0
117.07084	1.1
119.04986	0.8
119.08593	2.1
121.06527	1.0
121.10149	1.3
127.03925	21.3
128.06258	1.0
129.07043	1.9
131.08609	2.2
133.10118	5.0
142.07822	0.9
143.08572	3.3
145.05005	2.3
145.06506	0.7
145.10150	2.7
147.04437	1.8
147.11687	0.7
155.08656	1.1
156.09390	2.0
157.06543	2.0
157.10123	3.9
161.09634	0.9
161.13335	0.7
165.07025	0.8
170.10936	1.8
171.11699	3.6
173.09615	0.8
173.13448	1.2
175.07599	1.3
175.14868	0.9
185.09668	0.6
185.13297	3.7
189.09116	0.9
189.12753	0.7
195.11777	1.6
198.10490	1.4
213.03798	3.4
213.12743	5.6
213.16313	0.7
231.04686	3.6
231.06851	1.1
231.10170	1.5
231.12003	1.0
231.13879	8.7
231.17343	2.9
231.21228	1.1
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
50.01864	0.9
53.03947	14.0
55.01872	1.3
55.05526	1.2
56.65780	1.1
57.03434	2.9
64.99746	0.8
67.05499	1.5
68.99796	3.2
69.03434	100.0
69.07076	1.3
70.06611	1.2
70.81870	1.9
71.04997	9.5
72.56294	0.8
73.22810	1.0
75.08969	0.8
79.05489	1.4
81.03422	38.2
81.07084	1.2
83.01337	1.1
85.02908	43.4
87.00835	24.6
87.01344	1.6
91.05492	1.8
93.07024	1.4
95.04971	1.4
95.08601	2.1
97.02901	14.7
99.04465	24.6
105.01891	3.4
105.03394	0.9
105.07043	3.4
109.02138	1.0
109.02883	20.7
109.03589	1.7
117.07021	1.9
119.08566	2.5
119.89791	0.8
123.08066	0.9
127.03923	23.3
127.99152	0.8
129.07043	4.8
133.10190	2.1
138.67665	0.9
142.07750	1.8
143.08537	2.2
145.04965	2.2
145.10109	1.6
157.06508	1.0
157.10156	3.6
161.09665	1.1
171.11766	1.5
185.07199	2.1
185.09612	1.3
185.13257	2.6
194.80473	1.1
194.82289	1.1
211.40331	0.9
213.03992	2.6
213.12717	1.7
231.04858	4.8
231.10197	2.2
231.13847	5.5
231.17508	3.6
231.21173	1.3
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
50.03174	0.9
53.03954	8.9
55.01873	2.0
57.03428	4.0
61.02919	1.3
67.05519	1.1
68.99803	5.2
69.03434	100.0
69.07050	1.5
70.51615	1.0
71.04993	9.0
71.56669	1.1
79.05486	1.4
79.53443	1.1
81.03421	41.7
81.07036	2.0
83.01332	1.6
83.05006	1.2
85.02909	53.7
87.00838	24.4
91.05464	3.1
93.07037	2.5
95.08631	1.8
97.02905	11.1
99.04449	16.9
105.01867	3.3
105.07014	4.2
107.08596	1.8
109.02881	22.2
109.06521	1.3
109.10196	1.0
115.05418	2.4
116.29619	1.1
117.07001	1.6
119.08595	3.0
121.10139	1.1
127.03925	29.3
128.06206	2.9
129.06996	2.0
129.08588	1.1
131.08525	2.9
133.10141	13.6
137.09743	1.2
141.06990	1.5
142.07777	2.7
143.08603	5.5
145.04955	2.2
145.06531	1.5
145.10168	3.9
147.04483	1.1
147.08041	1.7
155.08493	1.8
156.09306	2.0
157.06445	2.4
157.10115	5.0
161.05939	1.1
165.06908	1.5
170.10886	1.6
171.11719	2.4
173.09599	1.6
175.07584	2.1
185.09624	1.8
185.13281	4.7
195.11690	2.7
198.10329	2.6
213.03903	3.5
213.09232	1.8
213.12787	9.9
231.02898	1.2
231.04582	1.4
231.06625	7.7
231.10135	2.2
231.13799	7.6
231.17468	2.2
249.07599	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	231.05
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10372	0.8
53.03949	16.4
55.01866	3.1
55.05530	1.3
57.03440	4.7
61.02932	2.2
67.05491	1.3
68.99794	4.7
69.03433	100.0
71.04995	12.6
71.56293	0.8
79.05494	2.6
81.03420	47.7
81.07064	2.1
83.01355	1.4
83.04967	1.4
85.02908	54.1
87.00834	25.5
87.04444	0.8
91.05483	1.4
93.07051	1.1
95.01373	0.9
95.04985	1.7
97.02895	22.4
99.04458	24.1
99.08024	0.8
105.01883	3.1
105.07037	3.0
107.04955	1.5
107.08553	1.0
109.02886	20.1
109.06521	1.1
119.04967	0.9
119.08594	3.1
121.02895	1.6
123.04398	1.0
127.03922	34.4
128.06264	2.9
129.07005	6.9
131.04912	1.2
131.08551	1.3
133.06474	0.9
133.10126	3.7
135.04459	0.9
135.11751	0.9
139.05466	1.5
141.06949	1.1
142.07784	1.7
143.08508	1.7
145.04967	3.0
145.06461	1.8
145.10216	1.1
147.04430	3.4
147.08043	2.6
153.23680	0.8
157.06500	11.8
157.10103	2.0
158.75613	0.8
160.05226	1.1
161.05948	2.0
161.09608	1.1
171.11716	1.5
175.07571	3.7
183.72821	0.8
185.05946	4.5
185.09656	1.9
185.13348	2.4
189.05435	1.6
195.11694	1.0
203.03300	0.9
203.07092	3.8
203.14308	1.4
205.57478	0.8
213.02019	1.3
213.03917	2.2
213.05687	4.0
213.09169	1.2
213.12752	3.9
216.04114	0.9
231.02840	2.3
231.04887	3.1
231.06776	10.1
231.10220	2.3
231.13811	6.3
231.17436	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.05
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	19.0
55.01868	1.6
55.05517	1.3
57.03437	4.3
61.02925	0.9
64.00063	0.6
67.05502	0.9
68.99805	3.9
69.03432	100.0
69.07066	1.3
69.40910	5.6
71.04996	15.6
73.02920	0.9
74.84765	0.7
78.48810	0.8
79.05501	1.8
81.03420	41.6
81.07065	1.6
85.02910	34.7
87.00832	22.5
87.01341	1.2
91.05486	2.7
93.07067	2.2
95.08601	1.5
97.02896	10.0
99.04456	30.8
102.43176	0.7
105.01898	2.3
105.07043	4.3
107.05060	0.9
107.08630	1.8
109.02890	18.0
110.72869	0.7
115.05472	1.2
117.07044	1.6
119.08607	2.8
121.10134	0.8
127.03922	27.7
129.07013	2.6
131.08588	2.1
131.94193	0.7
133.10170	2.5
135.08076	0.7
142.07780	1.0
143.08614	2.6
145.05014	2.6
145.06433	0.7
145.10172	2.6
147.04425	1.1
147.08113	1.3
147.11745	1.0
156.09543	0.8
157.06482	1.4
157.10184	3.1
159.11751	1.0
161.09627	1.0
167.08475	0.7
170.10970	1.0
171.08145	0.9
171.11765	2.8
173.09602	0.9
173.13258	1.8
175.07649	1.2
175.14810	0.8
185.09709	0.9
185.13252	3.6
187.14792	0.8
189.09222	0.9
198.10390	1.0
203.10670	0.7
203.14345	1.6
213.03915	5.2
213.09206	0.9
213.12842	3.0
213.16402	1.2
231.02943	1.0
231.04774	4.5
231.06992	0.9
231.10207	2.5
231.13824	9.7
231.17441	3.6
231.21133	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.2
53.05021	1.3
55.01871	3.2
55.05514	13.1
57.03437	2.0
57.07066	5.6
57.81370	1.2
59.04996	3.6
61.41282	1.4
67.05507	16.4
67.56792	1.1
69.03434	4.6
69.07076	7.8
70.06590	2.6
71.04996	10.5
79.05505	6.5
80.02644	1.4
81.07065	12.6
83.04981	4.3
83.08617	9.8
85.02899	2.5
85.06537	2.9
86.09695	2.1
91.05476	10.5
93.07053	11.5
95.04984	16.1
95.08043	2.4
95.08614	31.0
97.02888	3.3
97.06525	3.5
98.97542	1.6
99.00804	6.7
99.04470	12.8
99.08100	100.0
105.07035	6.5
107.04970	9.3
107.08594	11.2
109.02872	4.5
109.06533	5.2
109.10164	50.4
111.08103	3.2
113.05989	2.6
113.09679	1.9
115.05416	2.4
115.07582	1.5
117.06986	3.7
117.09159	2.0
119.01931	2.5
119.04967	9.3
119.08598	8.7
121.02869	6.3
121.06516	2.2
121.10169	5.0
123.04408	1.8
123.08069	4.7
123.11742	3.0
125.09603	1.8
127.11191	2.4
129.06985	4.0
131.04932	1.9
131.08571	2.9
133.10147	6.1
135.04424	3.0
135.11694	14.4
137.09618	17.1
141.07013	4.0
143.08563	2.2
144.05804	2.1
145.02852	1.8
145.06497	3.4
145.10173	1.4
147.11768	1.9
151.14874	2.5
153.06990	2.5
153.12750	3.8
155.04930	3.2
155.08623	7.7
155.10670	20.6
157.06522	2.1
157.10085	1.6
158.07260	1.6
159.08047	2.5
165.06990	8.5
165.09175	2.0
168.05789	1.5
168.09393	2.3
169.06561	1.9
171.13785	1.9
173.02383	2.8
173.05994	6.3
173.09656	2.5
175.14862	7.6
183.04372	1.6
183.08066	9.7
183.11725	3.5
187.07596	3.8
188.78720	1.4
193.15927	10.6
201.05394	3.9
201.09154	4.4
201.12758	2.5
205.98801	2.5
211.07544	7.0
211.09529	2.7
211.11397	2.5
211.14673	2.3
211.16945	26.0
218.29338	1.6
223.04507	1.8
229.04951	12.5
229.08427	17.3
229.10645	2.2
229.12247	10.0
229.15726	8.2
229.17915	3.0
229.23619	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	229.18
Annotation	3,6,9-Trihydroxy-4-megastigmene
Peak:m/z	Relative Intensity
53.03946	2.0
55.05513	11.7
57.03432	1.7
57.07074	3.0
59.05007	2.7
60.11581	1.0
67.05505	13.8
69.03419	2.9
69.07076	10.7
71.01140	1.5
71.04993	5.0
79.05505	6.7
81.07062	19.7
83.04988	3.8
83.08635	3.4
85.06543	9.2
91.05482	9.3
93.07056	35.0
95.04980	3.8
95.08612	27.9
97.06554	2.3
97.10168	1.1
97.37983	0.9
99.08096	17.2
101.06036	1.7
105.07033	15.7
107.07875	1.9
107.08601	39.9
109.06540	5.5
109.10162	55.1
111.08077	3.6
113.09634	2.4
117.07020	1.0
119.08588	34.9
121.10151	21.1
123.08080	8.6
123.11719	18.0
125.09624	7.9
126.47466	1.0
127.07613	1.1
127.11253	1.4
131.08534	2.0
133.10141	100.0
135.11702	79.9
137.09610	13.9
137.10587	1.3
137.13249	3.2
138.10394	1.2
139.11205	2.5
145.10126	1.3
147.11694	3.7
149.13281	5.2
151.11180	8.1
151.14861	7.0
155.08606	1.1
163.14816	4.7
165.16405	8.7
175.14836	60.1
193.15894	57.3
200.81602	1.1
211.16971	9.7
229.04939	1.4
229.12270	2.6
229.17958	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	229.18
Annotation	3,6,9-Trihydroxy-4-megastigmene
Peak:m/z	Relative Intensity
52.00766	2.9
55.05513	21.9
57.03442	5.6
57.07064	5.4
67.05511	20.4
69.03420	8.5
69.07085	15.3
69.47479	14.1
69.47900	11.4
71.04987	4.8
79.05497	9.7
81.07070	25.3
81.80236	3.0
83.04987	9.9
83.08628	10.9
85.06555	9.6
91.05486	13.3
93.07057	29.6
95.08617	41.4
98.21509	6.7
99.08115	37.5
101.06026	3.0
101.53857	3.3
105.07043	14.9
107.08604	36.7
109.06461	5.9
109.10165	64.7
111.08073	7.7
113.09613	4.2
119.08587	38.3
121.01744	4.0
121.10147	41.2
123.08067	15.4
123.11730	25.5
125.09634	23.1
127.11214	4.8
133.10136	100.0
135.11710	72.3
137.09630	16.0
137.13266	6.8
139.11188	10.3
145.56213	3.1
147.11700	9.5
149.13309	6.1
151.11188	8.6
151.14854	7.7
163.14830	11.3
165.16432	9.9
175.13329	4.5
175.14845	91.0
181.15938	6.6
193.15886	63.0
211.16971	36.9
229.12189	4.4
229.18019	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	229.18
Annotation	3,6,9-Trihydroxy-4-megastigmene
Peak:m/z	Relative Intensity
53.03956	4.3
55.01867	2.8
55.05517	52.7
57.07064	6.8
59.04990	9.3
59.08876	2.1
67.05505	24.3
69.03446	18.2
69.07066	18.6
70.62494	8.3
71.04980	11.7
79.05496	5.0
81.07053	32.2
83.04987	58.8
83.08628	36.9
85.06553	20.2
87.04453	3.0
91.05470	7.4
93.07053	22.6
95.04988	18.6
95.08619	18.9
97.10169	9.0
98.21334	2.8
98.97547	2.8
99.00834	3.2
99.08091	20.5
101.06042	5.4
105.03397	33.6
105.07034	6.8
107.08606	38.2
107.52554	2.4
109.06568	3.8
109.10168	100.0
111.08085	7.1
119.08608	12.1
121.10178	11.9
123.08083	3.8
123.11706	40.6
125.09618	15.6
127.11192	36.1
131.08595	3.1
133.10143	15.1
135.11707	26.7
137.09596	6.0
138.52504	2.3
145.10127	4.4
147.11688	5.0
149.13245	11.2
151.03909	77.7
151.11214	10.9
151.14864	4.4
153.12769	6.0
159.08014	3.3
165.16335	3.1
167.14322	35.7
169.12263	34.3
173.09587	3.9
175.14833	9.2
185.15372	8.3
193.15848	16.2
201.09026	3.3
202.40410	2.6
211.14873	4.6
211.16953	77.7
225.38040	2.6
229.08614	38.8
229.12230	8.0
229.15852	4.8
229.17911	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	229.1549
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
55.01875	0.5
56.96572	4.2
57.03420	0.4
58.06602	7.0
58.99866	0.7
59.07379	0.9
60.08169	8.8
61.02925	0.5
66.42601	0.4
68.05013	1.0
69.03435	0.5
70.06599	39.5
70.41362	1.1
70.41719	0.6
70.99852	1.0
71.04986	0.8
72.08185	0.4
73.16536	0.4
74.97603	0.5
76.39034	0.4
77.00920	0.4
82.99847	0.9
84.67226	0.4
85.02889	0.5
89.00906	0.5
94.16397	0.4
96.08115	1.2
96.37334	0.4
98.06066	0.8
98.20907	0.5
98.97596	4.1
101.00894	14.6
101.01569	0.7
102.00993	0.4
113.00909	0.6
114.05536	4.1
114.06651	0.5
114.09203	2.0
115.02386	1.0
115.24325	0.4
116.07124	1.0
116.98637	2.9
117.04000	0.4
119.01932	36.4
120.02014	1.3
121.01665	0.5
124.07627	3.3
126.09134	0.6
126.98781	1.1
127.03941	0.6
130.93196	0.4
131.01909	2.4
133.03474	3.0
134.99681	1.1
135.03104	0.5
137.01959	0.6
137.02974	6.8
142.03525	0.7
142.08649	34.4
143.01970	0.7
144.99858	3.6
145.03471	1.0
149.02954	0.5
151.04500	0.6
157.03610	1.4
161.01295	0.6
161.02945	2.2
163.00842	0.5
168.99872	4.3
170.08200	2.1
172.99318	1.2
173.02980	0.8
174.04333	0.9
175.04691	1.4
177.00960	0.6
177.02426	0.5
177.03958	0.5
179.02321	1.1
185.02937	0.4
186.99290	0.9
187.00925	10.1
187.02705	1.2
187.04649	1.7
188.01178	0.5
191.00357	0.5
191.04007	0.8
192.02794	0.8
196.99327	1.2
197.01025	0.7
197.03200	0.5
201.02441	0.6
205.01936	1.8
205.03621	1.3
205.05780	0.9
215.00388	6.6
215.02245	0.8
219.05066	0.7
223.04585	1.1
229.00111	0.5
229.03575	0.8
229.15494	100.0
230.15817	1.6
233.01376	0.5
237.06242	0.6
247.04588	2.6
247.06799	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1547
Annotation	L-isoleucyl-L-proline
Peak:m/z	Relative Intensity
53.24166	0.6
57.07079	0.9
58.06614	1.0
67.05500	1.6
68.99804	1.1
69.03458	0.6
69.07069	12.2
70.06597	37.6
71.05023	0.8
71.55429	0.7
72.08146	0.7
79.05495	0.7
81.03422	2.0
81.07069	0.7
83.04984	0.9
85.02927	0.6
86.06081	0.6
86.09711	80.3
91.05479	2.9
93.07036	0.8
95.04996	0.8
97.94469	0.6
99.00818	2.6
99.04478	0.6
105.03355	0.6
105.07040	1.2
107.04972	2.1
109.02828	0.7
109.06571	0.9
109.10149	1.3
111.00809	1.5
111.04418	0.7
116.07098	100.0
117.07018	0.6
119.01944	1.2
119.04954	3.2
121.54006	0.6
123.04423	0.8
123.64690	0.7
127.03915	0.7
129.07036	1.0
131.08522	1.2
135.04407	1.2
137.03053	0.8
141.06987	1.5
145.06494	1.1
151.03889	1.3
153.07024	1.4
155.04959	1.0
155.08557	1.8
157.10181	0.9
159.08080	1.3
165.05753	0.7
165.06963	3.7
168.05794	1.0
169.04997	1.3
169.06520	1.7
173.05974	1.9
173.09694	0.8
177.04160	0.7
183.04733	1.6
183.08040	2.9
183.11790	1.2
192.02692	0.7
193.04965	0.7
195.04964	0.6
201.05441	1.6
201.09143	0.7
201.12703	1.3
205.03609	1.8
205.96674	0.8
205.98781	1.2
211.05942	1.4
211.07690	1.7
211.11049	1.1
219.05034	1.4
220.02151	0.8
222.81364	0.6
223.04504	2.3
229.05118	4.6
229.08574	5.8
229.12241	3.6
229.15532	8.8
229.23538	2.2
247.04634	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	229.086
Annotation	Benzophenone-3
Peak:m/z	Relative Intensity
50.79773	0.3
51.02384	0.6
53.03947	3.2
53.07629	0.4
55.01870	0.5
55.05514	1.7
57.07074	0.4
60.67964	0.3
65.03931	0.9
67.05502	2.0
69.03442	0.6
69.07056	0.7
70.01994	1.7
71.04997	0.4
76.17678	0.3
77.03928	0.8
79.05502	0.4
81.07059	1.3
83.04993	1.9
83.08625	0.8
85.06545	1.2
91.05476	0.8
93.07052	1.2
93.07644	0.3
94.67207	0.3
95.04975	12.2
95.08611	0.7
98.20811	0.5
99.08095	0.6
105.03395	47.5
105.07025	0.6
106.03730	0.8
107.08623	2.1
108.02097	1.0
109.10169	3.4
117.07063	0.4
119.01939	0.4
119.08602	1.3
120.79913	0.4
121.10137	0.4
123.04449	1.4
123.11726	1.5
125.09666	0.5
125.87001	0.4
127.11210	0.8
128.06218	0.4
131.08560	0.5
133.10147	0.6
135.11717	0.8
141.05431	0.4
145.10097	0.8
147.11661	0.7
151.03909	100.0
151.11183	0.7
152.04271	1.2
155.08522	0.5
157.10197	0.4
159.11676	0.5
167.14320	1.0
169.12250	1.3
173.13229	0.8
175.14824	0.4
183.11700	0.7
187.11227	0.6
193.15974	0.6
201.12701	0.6
211.11243	0.4
211.15013	0.4
211.16931	1.6
229.08603	51.3
229.12354	1.7
229.15913	1.5
229.19656	0.7
230.08926	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.086
Annotation	Benzophenone-3
Peak:m/z	Relative Intensity
51.02385	0.5
53.03949	2.5
55.01876	0.3
55.55923	0.2
57.30800	0.2
65.03935	0.9
66.03497	0.2
67.05512	0.7
77.03928	0.8
81.03434	0.3
83.08627	0.2
90.69112	0.2
91.05498	0.2
95.04974	10.5
98.21609	0.4
100.28696	0.2
100.56590	0.2
102.61750	0.2
105.03400	45.0
105.04551	1.3
106.03747	0.5
107.79485	0.2
108.02084	1.0
109.10167	0.3
113.11938	0.2
113.37767	0.2
123.04439	0.8
136.01532	0.2
141.05348	0.2
151.03914	100.0
152.04251	0.9
159.11740	0.2
211.16873	0.3
229.08612	46.9
229.76610	0.2
230.08969	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0861
Annotation	Anhydromarmesin
Peak:m/z	Relative Intensity
53.03940	2.1
55.01875	37.4
57.03416	3.5
60.63094	0.8
65.03923	1.5
66.83099	0.9
66.93627	0.9
67.01857	1.8
67.05492	3.2
68.99794	1.0
69.03409	2.8
69.45190	4.8
70.06575	1.1
71.01350	2.9
79.05488	6.4
81.03422	4.6
81.07027	1.8
83.04995	1.1
85.02892	3.8
91.05484	6.8
95.04971	4.0
95.08616	2.1
97.02892	9.8
103.05469	2.9
105.07027	6.2
107.04958	54.9
107.08567	1.4
108.05246	0.7
109.02855	2.7
109.10165	1.3
115.05445	8.2
116.06223	1.9
117.07025	7.7
119.04958	6.0
119.08578	1.6
120.05714	1.1
121.02883	8.7
123.04423	5.8
126.05569	1.4
126.48101	0.8
128.06213	6.1
129.07013	11.9
130.07764	0.8
131.04935	16.5
131.08583	7.1
132.05699	2.6
133.06497	19.7
133.10269	0.9
135.04428	3.9
136.05185	1.1
138.24718	0.8
141.05957	1.6
141.06996	20.7
141.15938	0.9
143.08548	2.8
144.05705	10.0
145.06488	31.7
145.10100	4.2
147.04404	12.4
151.14795	1.0
152.06204	2.7
153.06989	18.1
154.07777	2.6
155.04976	0.9
155.06018	3.9
155.08562	22.3
157.06494	40.1
157.10048	1.7
158.07283	6.0
159.04439	1.7
159.08055	30.9
159.11632	1.2
160.05208	2.0
161.05963	6.5
165.07013	46.8
166.07494	1.0
168.05710	5.7
169.06485	13.8
169.07787	1.3
170.07263	1.8
171.08076	6.8
173.06012	6.9
173.09625	19.1
173.13286	1.4
181.06427	4.2
182.07262	1.8
183.08064	67.3
183.11583	2.0
184.08453	1.2
185.05974	14.6
185.09549	1.7
186.06741	5.7
187.07552	28.7
193.06500	3.1
199.07503	5.2
200.08311	2.2
201.09122	36.1
201.70612	0.9
211.07545	36.4
214.06155	1.1
229.08607	100.0
229.12259	3.6
229.15927	2.1
229.19539	1.8
230.09004	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0321
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96573	1.9
57.03429	2.5
58.06598	2.7
58.99880	2.1
59.07386	0.7
60.08158	3.2
61.02933	5.5
64.86952	0.5
69.03432	1.1
69.96610	2.4
70.06594	16.7
70.99847	2.6
71.05000	1.0
73.02927	1.2
77.00923	1.6
80.59853	0.5
81.03412	1.3
82.99833	2.6
85.02930	1.8
86.03699	0.6
86.99357	0.6
89.00892	0.9
90.01561	0.7
96.08134	0.9
97.02916	1.7
98.97590	2.5
99.04459	1.0
100.00134	0.7
101.00889	40.2
103.00668	0.8
103.02463	1.2
110.97536	0.6
112.48170	0.5
113.00870	1.0
114.05542	1.7
114.09174	1.2
115.02458	1.6
117.02106	1.0
117.03990	0.5
119.01928	100.0
120.02073	2.3
121.01687	1.6
124.02454	0.9
124.07645	1.1
126.98775	3.0
127.03941	1.0
128.98561	0.7
131.01930	4.4
133.03482	11.0
135.03107	2.4
137.02963	17.6
139.04234	1.2
142.03508	2.6
142.08640	16.6
143.00233	0.7
143.01901	2.4
144.03618	4.3
144.99840	10.1
145.01582	0.6
145.03441	1.0
147.01392	0.8
147.03130	0.8
148.04755	2.9
149.03036	0.9
151.04515	1.9
156.03624	0.8
157.01750	0.9
157.03522	1.0
159.03264	0.7
161.02965	3.2
163.00925	1.5
168.99841	14.0
170.08203	0.7
172.99367	1.7
173.02956	1.7
173.99344	0.6
175.02921	0.5
175.04539	1.3
176.54219	0.7
177.02444	1.9
177.04297	0.9
178.02975	0.9
184.04686	0.9
187.00894	26.1
187.04503	1.0
188.01079	1.0
191.00371	1.1
191.04025	1.6
192.04460	0.6
196.99318	4.1
197.01120	1.6
201.02527	1.2
205.01978	6.1
210.02519	0.7
215.00397	19.9
215.02200	1.2
219.03497	1.6
220.04248	0.6
220.06816	0.6
229.03253	11.3
229.15483	46.2
233.01466	1.1
236.06926	1.3
237.06416	0.9
238.01996	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.9
56.96571	3.8
57.03440	3.2
58.03789	0.5
58.06594	0.8
58.99862	2.1
60.08169	0.7
61.02929	7.1
68.98315	0.6
69.03424	1.1
69.21904	4.2
69.22309	0.6
70.06598	5.0
70.99857	3.0
71.04986	0.9
73.02916	1.3
77.00907	1.4
78.71152	0.5
81.03419	0.8
82.99824	3.1
85.02909	1.9
86.03710	0.8
89.00899	0.9
91.02473	0.8
97.02898	1.2
97.96818	0.9
98.97599	3.7
99.04458	0.5
100.02534	0.9
101.00890	42.2
101.02526	1.1
102.00954	0.7
103.02467	1.3
109.02874	0.8
110.97573	1.2
113.00889	0.9
113.02374	0.8
115.02440	3.1
116.98646	1.0
117.02021	0.6
119.01929	100.0
120.02023	2.1
121.01647	1.2
124.07624	0.5
126.02600	1.3
126.98803	3.6
127.03923	1.1
128.98672	0.5
131.01913	3.8
133.03479	10.7
135.03123	4.1
137.02968	16.4
142.03598	1.8
142.08673	3.3
143.00194	0.6
143.01903	2.0
144.03632	7.9
144.99837	10.1
145.03467	1.1
145.99973	0.7
147.01413	1.2
147.03195	0.5
148.04739	1.3
149.02983	1.4
150.01772	0.6
151.04492	2.8
156.03624	0.5
157.03621	0.5
161.02983	4.6
163.00821	0.8
168.99835	13.4
171.01352	0.5
172.99321	2.6
173.02974	1.5
173.99464	1.0
175.02727	1.0
176.03418	1.1
177.02483	1.7
177.04169	1.1
178.03047	0.9
185.04034	0.6
187.00908	27.5
191.00391	1.9
191.02211	0.6
191.04076	1.8
192.00626	0.5
196.99347	4.5
197.01164	3.6
199.03706	1.1
201.02484	1.1
201.04269	0.7
205.01968	5.3
205.03624	0.9
215.00378	22.8
215.02115	1.6
219.03552	1.0
220.04254	2.3
229.03461	1.6
229.12230	0.6
229.15495	11.7
233.01439	1.2
247.04799	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22763	0.3
52.38988	0.3
56.96578	2.1
57.03437	0.4
58.99862	1.4
59.79137	0.3
60.08154	0.5
61.02921	1.1
65.84305	0.3
68.98321	0.3
70.06596	2.9
70.28083	0.9
70.99866	2.9
71.05019	0.3
73.02905	0.5
77.00912	1.1
82.01462	0.3
82.99836	2.8
83.01505	0.6
86.99332	0.5
89.00887	1.5
91.02503	0.4
98.97591	2.3
99.04449	0.6
100.02481	0.8
101.00888	43.7
101.02547	1.0
102.00976	0.8
103.02437	0.4
105.00325	0.5
113.00845	1.5
114.06674	0.3
115.02437	2.5
116.98643	1.1
118.01102	0.6
119.01929	100.0
120.01965	1.7
121.01623	0.4
121.02398	0.6
124.02498	0.4
126.98801	3.0
127.03959	0.7
129.03978	0.4
131.01923	4.7
133.03474	8.2
134.99762	0.3
135.03033	0.3
137.02965	16.2
142.03510	1.4
142.08644	2.3
143.01907	2.6
144.99831	10.2
145.03481	1.1
145.99925	0.8
147.01355	0.8
147.05002	0.7
149.02974	1.4
151.04553	1.9
154.98332	0.5
157.03604	0.7
159.01410	0.8
161.02954	4.4
163.00917	1.0
168.98361	0.8
168.99834	13.1
169.01361	0.6
172.99338	3.0
173.00763	0.4
173.03011	1.3
173.99507	1.2
175.01045	0.4
177.01027	0.3
177.02429	1.6
178.02650	0.5
179.02371	0.4
179.04041	0.4
187.00902	25.6
187.04533	0.8
188.01129	0.6
191.00360	1.5
191.04118	1.0
192.00481	0.7
196.99336	4.9
197.01112	3.3
199.00897	0.5
201.02440	1.0
205.00131	0.6
205.01926	5.5
210.02490	0.8
215.00375	21.6
215.01907	1.3
217.01959	0.5
219.03435	0.6
229.03734	0.8
229.15475	6.5
233.01407	1.4
238.01958	0.4
247.06749	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1643
Annotation	MKN-003C
Peak:m/z	Relative Intensity
51.22422	2.2
55.05508	5.9
57.03433	7.2
57.07067	4.7
67.05496	4.8
69.03413	3.3
69.07056	10.1
69.22773	16.6
69.23193	8.6
71.04996	33.9
75.04494	3.0
76.99936	2.0
77.22012	2.0
79.05495	6.3
80.04967	2.2
81.07075	12.5
83.04967	5.4
83.08598	4.5
85.06553	13.1
91.05491	5.0
93.07059	17.1
95.04974	100.0
95.08606	12.4
97.06523	17.8
97.10154	2.7
99.04457	46.0
99.08087	23.7
100.11260	6.3
105.07014	7.9
107.08591	22.0
107.91252	2.2
109.06546	12.4
109.10145	8.9
111.08049	6.4
115.07570	7.5
117.07027	2.3
119.08601	6.6
121.06456	2.4
121.10163	13.9
123.08072	3.1
123.11719	14.2
125.09619	10.3
127.07550	9.6
131.08582	4.0
133.10129	31.3
135.08044	3.3
135.11702	3.8
139.11195	10.5
143.10684	9.3
147.11681	7.6
149.13272	9.2
149.71381	2.1
151.11157	6.1
153.09132	27.1
163.14787	6.0
165.12732	3.9
171.10248	16.0
173.13272	12.9
180.71005	2.3
183.13840	4.7
191.14326	7.8
209.15366	23.1
227.10663	2.7
227.16409	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04855	1.4
53.03936	5.3
55.01866	6.7
55.05515	14.7
57.03429	6.5
57.07072	5.8
59.04999	3.4
67.05505	12.9
69.03430	6.4
69.07065	16.6
70.06594	1.8
71.04999	27.2
71.55659	1.9
73.06566	2.5
79.05502	19.8
81.02979	3.0
81.03423	44.7
81.07056	23.0
83.04980	8.6
83.08626	9.7
85.02902	2.0
85.06056	2.8
85.06547	30.8
86.09740	1.8
91.05489	14.6
93.07053	33.4
95.04976	100.0
95.08613	14.1
97.06551	19.1
97.10178	7.4
99.04463	12.2
99.08097	21.1
100.11263	5.3
101.06016	2.1
103.05429	2.4
105.07045	21.3
107.04963	7.4
107.08602	38.1
109.06528	19.1
109.10160	13.5
111.04405	4.2
111.08091	8.3
113.05958	2.7
113.09660	1.8
115.05445	6.5
115.07571	3.2
117.07045	7.2
119.08588	13.0
121.06487	4.9
121.10148	27.5
122.15883	1.5
123.08080	4.6
123.11690	7.2
125.05975	2.2
125.09624	11.8
127.07563	8.5
128.06221	19.1
129.07016	11.4
131.04930	5.7
131.08586	28.0
133.02859	1.9
133.10136	28.5
134.06013	3.7
135.08075	7.1
135.11702	7.2
137.06033	3.9
137.09650	5.9
139.03973	1.8
139.07581	2.2
139.11192	12.4
141.06946	3.2
143.08604	13.1
143.10683	6.9
145.06505	4.8
145.10123	13.0
147.08060	2.1
147.11703	8.8
149.05945	1.5
149.08546	2.5
149.09641	30.9
149.13269	7.8
151.11156	4.2
152.06131	13.8
152.07217	3.0
153.07008	27.5
153.09094	27.2
155.06012	3.5
155.08607	3.7
156.09247	2.2
157.05205	3.6
157.06499	66.0
159.04408	4.4
161.13300	2.6
163.07509	2.6
163.11250	9.3
163.14798	6.8
165.06985	14.7
165.09109	1.9
165.12738	3.4
166.08751	2.0
167.07016	3.7
167.10669	23.1
167.11929	2.6
168.05719	3.3
169.06482	8.7
170.07346	1.9
171.04512	2.2
171.08041	41.1
171.10196	17.5
171.11572	1.6
173.09741	2.5
173.13268	11.2
179.14366	2.9
181.06477	74.1
182.07167	4.8
183.06532	3.6
183.08086	8.3
184.05206	6.3
185.06000	80.5
191.10727	16.9
191.14279	9.6
192.06506	2.0
197.05998	2.4
198.06755	2.6
199.07561	73.2
209.06081	21.2
209.07988	3.1
209.11722	10.9
209.15280	19.3
227.07050	93.0
227.08980	3.5
227.10562	4.5
227.12772	3.8
227.16351	48.1
228.07297	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	MKN-003C
Peak:m/z	Relative Intensity
55.05516	38.7
57.03424	5.3
57.07069	10.0
60.93791	2.8
67.05510	14.7
69.03425	12.7
69.07072	21.0
70.45257	10.3
71.05002	43.9
71.08624	9.7
73.04749	3.1
75.50907	2.9
79.05487	11.5
81.07044	22.5
83.04984	7.3
83.08607	9.8
85.06556	14.8
86.00268	2.7
87.04473	16.1
91.05466	9.1
93.07059	27.8
94.07370	2.6
95.04366	5.1
95.04976	100.0
95.08620	17.5
97.06536	12.8
97.10188	16.4
99.04461	95.2
99.08084	12.5
100.11272	23.8
105.07014	10.7
107.08607	31.1
109.06501	9.9
109.10178	15.9
111.08094	3.8
113.05994	3.4
115.03918	19.8
115.07542	11.9
119.08560	9.2
121.10172	21.6
123.08049	7.6
123.11684	11.8
125.06004	9.5
125.09627	9.5
129.06989	3.6
131.08566	9.1
133.10135	42.0
135.08054	5.8
135.11678	22.8
139.07535	6.5
139.11166	8.4
143.08551	5.1
145.10152	7.4
147.11667	6.7
149.09590	8.5
149.13245	11.2
151.11182	8.0
153.07108	3.1
153.09103	37.0
158.10956	4.0
163.14813	8.2
167.07167	3.9
171.11728	6.5
173.13240	17.4
183.13785	7.4
185.09636	4.7
191.14313	23.1
209.11656	4.7
209.15297	41.5
227.08354	4.3
227.10452	7.0
227.14421	4.5
227.16405	12.8
227.18169	5.4
239.81625	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	227.1642
Annotation	Annuionone G
Peak:m/z	Relative Intensity
55.05500	4.9
59.05006	1.4
67.05489	4.3
69.03423	1.8
69.07068	7.7
69.98909	1.1
70.01673	4.0
71.04996	9.6
79.05477	4.7
81.07061	6.6
83.04959	2.1
83.08591	3.0
85.06535	3.6
91.04935	1.2
91.05475	5.5
93.07053	21.3
95.04978	24.8
95.08615	12.8
97.06525	10.4
99.04464	19.3
99.08075	4.5
105.07040	13.0
107.08604	15.9
109.06513	6.4
109.10167	8.1
111.08109	1.5
115.07566	11.0
119.08618	5.8
121.06498	1.5
121.10139	16.2
123.08079	2.0
123.11703	4.4
125.09650	2.5
131.08601	8.7
133.10138	100.0
135.08047	4.9
135.11737	5.5
139.11166	4.0
143.08514	2.0
145.10110	4.0
147.11664	3.1
149.09605	4.4
149.13240	8.3
151.11211	10.0
153.09088	8.4
158.10887	2.9
161.13213	1.7
163.14833	6.7
167.10928	1.5
171.81435	1.2
173.13281	26.1
179.14415	1.2
183.13939	1.7
188.37575	1.2
191.14330	21.0
209.15334	12.2
227.14427	1.6
227.16234	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	227.1643
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.21995	3.8
55.05505	6.4
57.07084	3.8
67.05495	8.4
69.03458	4.6
69.07067	13.8
69.48754	7.6
69.49161	17.7
71.05001	24.1
78.59309	3.6
79.05479	7.4
81.07074	17.1
83.08614	4.5
85.02888	4.7
85.06554	11.8
91.01431	4.1
91.05521	6.0
93.07067	23.2
95.04975	83.1
95.08631	20.4
97.06539	22.4
99.04455	16.3
99.08102	60.2
100.11245	4.8
105.07048	9.8
107.08588	31.1
108.85942	3.6
109.06526	14.2
109.10165	34.2
115.07577	23.0
119.08586	18.6
121.10152	24.9
123.08087	3.8
123.11711	15.0
125.05994	6.6
125.09631	8.5
127.07558	41.8
127.11195	3.5
131.08582	8.8
133.10143	100.0
135.08076	7.6
137.09581	4.5
139.11182	18.2
147.11696	5.5
149.09610	8.7
149.13295	11.1
151.11232	26.3
153.09152	40.7
163.14845	9.5
169.12257	7.8
172.03929	3.8
173.13263	33.2
187.51352	4.0
191.14311	35.1
209.15405	30.3
227.16431	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	227.1644
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03935	2.3
55.05516	17.3
56.69545	1.8
57.03434	4.8
57.07076	9.3
59.05024	1.9
66.30183	1.6
67.05504	16.7
69.03428	3.8
69.07077	25.6
71.01352	2.9
71.05003	10.2
79.05508	11.7
81.07060	22.9
83.04958	3.4
83.08615	7.2
85.06535	7.2
91.05480	12.7
93.07050	28.9
95.04977	4.7
95.08615	41.4
97.06537	6.2
97.10160	4.9
99.04438	5.6
99.08107	2.8
100.11268	3.2
105.07036	14.4
107.08601	49.7
109.06512	8.4
109.10162	26.9
111.04424	2.3
111.08074	5.1
115.07600	1.7
117.07013	2.0
119.08584	11.7
121.06474	5.2
121.10148	59.1
123.08084	13.2
123.11710	13.0
125.06020	2.8
125.09626	6.6
127.07552	3.2
127.11211	35.5
131.08577	14.4
133.07661	1.9
133.10135	37.2
135.08072	18.4
135.11703	19.2
137.09619	20.9
137.13268	28.1
139.11179	4.0
143.08528	2.9
145.10100	4.1
147.11687	8.9
149.09631	100.0
149.13269	29.3
151.11194	13.7
153.09128	5.7
153.12756	2.3
158.10876	5.6
163.11230	4.2
163.14830	30.9
165.12740	12.1
167.10738	4.5
167.14417	2.7
173.13283	33.7
191.10655	2.6
191.14308	44.6
209.11809	2.8
209.15340	23.9
227.16397	9.3
229.29156	1.8
234.52513	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	Annuionone G
Peak:m/z	Relative Intensity
55.05503	6.1
59.04982	3.4
67.05511	4.5
69.07070	11.1
70.63250	6.0
71.04996	20.4
71.86202	2.4
79.05475	5.0
81.07064	14.3
85.02911	2.5
85.06548	7.7
91.05472	2.8
93.07058	19.4
95.04977	100.0
95.08619	9.1
97.06535	33.7
99.04458	24.1
99.08102	42.9
100.11260	4.6
105.07021	11.5
107.08585	14.9
109.06503	14.7
109.10166	23.6
111.08073	4.1
115.07578	54.7
119.08591	9.5
121.10139	9.7
123.11704	9.3
125.09589	4.5
127.07557	22.5
131.08572	8.2
133.10139	69.0
135.08040	4.1
139.11171	12.7
145.10159	3.6
147.11682	3.8
149.13275	7.0
151.11192	17.9
153.09132	40.3
158.10912	3.9
163.14839	7.6
169.12306	3.1
171.10236	2.9
173.13278	20.2
191.14311	22.0
209.15378	18.5
227.16382	6.6
229.99335	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	227.1279
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
51.72449	1.0
55.01862	2.8
55.05514	4.1
57.03439	2.4
57.07081	5.8
58.44566	1.1
65.03951	2.4
67.05506	23.9
69.03432	1.5
69.07061	6.1
69.76791	1.7
69.77197	4.8
71.04993	18.4
79.05498	28.6
81.03443	1.1
81.07077	6.7
83.04993	8.4
85.06547	100.0
87.01303	1.2
91.05484	18.3
93.07050	22.0
95.04968	16.5
95.08616	3.0
97.06530	6.1
99.04456	2.8
99.08080	4.5
100.11215	1.3
105.07037	19.0
107.04960	13.1
107.08595	28.3
109.06510	7.0
109.10184	1.8
111.04452	12.9
115.05476	1.3
116.06197	1.7
117.07019	5.1
119.08582	15.1
121.06512	14.3
121.10152	17.7
123.04420	2.6
123.08100	1.4
125.06017	7.9
125.09674	1.2
129.07036	4.8
130.07764	1.4
131.08571	65.4
133.10165	3.8
135.08055	3.3
135.11711	4.7
137.05946	1.5
137.09610	6.7
141.05486	1.5
145.06531	2.1
145.10124	29.1
147.08061	5.1
147.11694	1.8
149.05991	2.4
149.09621	64.8
149.13330	1.4
153.05492	2.5
153.09116	2.9
155.07115	2.6
155.08615	1.0
163.07573	2.6
163.11200	26.2
165.09142	10.9
167.07036	1.9
167.10684	31.4
171.03589	1.4
173.09619	6.7
179.10680	1.7
191.10680	59.0
197.11755	2.5
207.68607	1.2
209.09738	2.5
209.11737	51.7
209.15097	2.1
227.12772	17.5
227.16284	1.5
237.64452	1.1
238.98395	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59285	1.1
53.22455	1.2
55.01881	2.6
55.05498	5.5
57.03426	2.6
57.07069	6.6
58.44390	1.5
65.03950	1.7
67.05179	1.6
67.05509	25.7
69.03425	2.1
69.07079	7.6
70.62906	3.3
70.63270	2.9
71.04646	1.7
71.05001	20.2
79.05496	28.0
81.07051	5.6
83.04984	7.8
85.06553	100.0
91.05486	16.4
93.07062	23.2
95.04971	14.8
95.08608	2.6
97.06537	4.3
99.08121	6.6
100.11250	2.0
105.07041	20.5
107.04955	9.5
107.08605	30.9
109.06503	5.4
109.10136	2.3
111.04449	12.4
117.07021	5.9
119.08584	20.0
121.06538	16.0
121.10162	23.0
123.04431	1.2
123.08124	3.0
125.06020	6.5
125.09618	2.0
129.06996	4.3
130.07790	1.5
131.08583	57.5
133.10133	4.5
135.07957	1.7
135.11702	5.0
137.05945	1.9
137.09621	7.0
139.07582	2.0
143.08598	1.6
145.06444	2.1
145.10135	30.0
147.08017	6.8
147.11610	2.2
149.09631	67.7
150.09920	1.8
151.07460	1.4
153.05508	2.3
153.09076	2.7
155.07083	2.4
155.08467	1.2
156.72781	1.3
163.07483	2.4
163.11192	25.5
163.14763	1.5
165.09164	12.0
166.02103	1.4
167.07062	2.4
167.10683	30.2
173.09645	6.9
173.13229	2.1
179.10597	1.8
181.12279	1.7
191.10687	59.7
197.11794	2.5
206.09703	2.5
209.09746	2.9
209.11742	59.0
209.15160	3.0
227.12822	21.4
227.16386	3.2
231.53922	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1278
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03942	1.7
55.01869	3.8
55.05515	12.1
57.03434	4.4
57.07080	8.8
57.14592	1.2
59.05004	1.9
67.05510	29.4
69.03422	4.9
69.07076	15.4
70.42898	1.5
71.04996	37.1
71.56281	1.8
79.05495	31.7
81.07066	39.6
83.04999	9.2
83.08611	6.1
85.06548	100.0
86.09717	1.8
87.04476	2.0
91.05476	24.9
92.05811	1.5
93.07053	31.8
95.04970	42.3
95.08597	12.5
97.06545	13.6
97.10171	3.8
99.03828	2.9
99.04461	44.2
99.08099	18.6
100.11254	10.3
103.05493	2.3
105.07037	23.6
107.04967	12.3
107.08604	40.6
109.06515	10.5
109.10167	12.4
109.18266	1.5
111.04437	15.8
111.08083	4.6
113.05971	1.7
113.09640	3.3
115.07565	6.0
117.07016	7.1
119.08591	21.3
121.06539	13.0
121.10156	31.4
123.04449	2.3
123.08071	7.9
123.11684	6.8
125.06001	5.4
125.09638	6.4
127.07554	6.1
128.06284	1.7
129.07022	8.1
130.07784	2.4
131.08574	61.3
133.10143	29.1
133.11104	2.9
135.04405	1.6
135.08073	4.8
135.11699	9.1
136.15651	1.3
137.09622	7.6
139.07541	3.2
139.11176	5.9
143.08556	3.4
145.06497	2.4
145.10127	24.5
147.08035	4.9
147.11671	5.6
149.09627	60.9
149.13239	6.9
151.11191	7.3
153.05441	2.8
153.09119	13.3
155.07074	2.0
155.08548	1.9
156.09315	1.7
157.10173	1.9
163.07631	2.5
163.11176	23.0
163.14836	6.1
165.09099	6.1
165.12788	3.3
167.06987	1.9
167.08533	1.8
167.10693	31.5
169.08672	1.4
171.10187	4.4
171.11589	3.5
173.09595	4.5
173.13263	11.8
179.10680	2.0
183.11722	1.5
183.13802	5.4
191.10686	49.4
191.14267	11.0
207.09668	2.2
209.11734	44.8
209.15190	12.7
227.07053	3.6
227.10808	3.9
227.12752	17.5
227.16479	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	227.0702
Annotation	Anthrarobin
Peak:m/z	Relative Intensity
53.03944	4.0
55.01865	8.0
55.05513	9.9
57.03428	2.1
57.07056	2.9
59.04987	1.1
61.69556	1.1
67.05497	7.4
68.99821	1.1
69.03424	1.5
69.07071	7.9
70.76314	2.2
71.05005	8.2
73.06499	1.2
79.05492	7.4
81.03421	48.6
81.07064	7.2
83.04978	3.5
83.08617	3.5
85.06550	13.1
91.05510	7.3
93.07048	9.2
95.01324	1.2
95.04966	24.7
95.08611	6.5
97.06562	4.9
97.10178	1.6
99.04451	3.3
99.08096	5.5
100.11239	2.8
101.05968	1.2
103.05493	2.8
105.07036	8.0
107.04957	6.7
107.08598	14.4
109.06506	6.4
109.10159	10.3
110.46991	1.2
111.04448	2.2
111.08080	2.9
113.06003	1.2
115.05457	4.0
117.07004	3.1
119.08558	5.4
121.02842	1.8
121.06483	3.1
121.10137	14.6
123.08065	3.1
123.11710	2.3
125.05939	1.2
125.09606	5.0
127.07546	2.9
128.06227	23.4
129.07025	12.7
131.04912	5.1
131.08585	9.3
133.10147	8.2
134.05998	1.3
135.08029	3.2
135.11699	3.5
137.05992	1.5
137.09610	2.4
139.11188	2.9
141.07008	5.1
142.07800	1.0
143.08569	14.6
143.10640	1.4
144.05669	2.0
145.06436	2.6
145.10164	5.2
147.11703	2.4
149.09608	12.7
149.13263	2.1
152.06175	14.8
153.07001	31.1
153.08987	8.5
154.07724	1.3
155.06021	1.9
155.08549	2.7
157.06493	70.7
159.04410	4.4
163.07527	1.9
163.11182	4.3
163.14809	1.7
165.05699	1.8
165.07007	13.3
165.09088	1.3
167.06972	2.9
167.10674	9.2
168.05682	2.2
169.06502	9.7
170.07172	1.5
171.04381	1.7
171.08052	43.0
171.10199	3.5
171.11548	1.4
173.09578	2.1
173.13275	4.2
179.15831	1.1
181.06476	79.2
182.07263	4.7
183.08052	6.6
184.05217	7.3
185.05980	95.5
186.06270	1.9
191.10643	4.6
191.14305	4.0
197.05945	4.0
198.06779	2.6
199.07547	78.6
209.06021	19.1
209.08116	3.0
209.11618	5.3
209.15164	6.4
212.08220	1.3
227.07028	100.0
227.10555	3.0
227.12776	2.5
227.16322	14.2
227.18065	1.1
248.24551	1.2
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
53.03922	1.1
55.05510	4.4
56.24236	1.0
57.03428	2.5
57.07070	1.8
59.05012	1.4
65.03930	1.4
67.05492	4.5
69.03424	2.1
69.07059	4.0
69.73225	6.7
71.05000	9.1
75.99951	1.1
79.05514	7.5
81.07054	9.0
83.04984	9.4
83.08616	1.6
85.02898	2.2
85.06546	3.0
88.43200	1.1
91.05476	6.8
93.07048	15.1
95.04975	4.2
95.08603	7.7
97.06530	3.4
99.04484	5.1
99.08083	4.1
101.06003	1.4
105.03388	2.6
105.07042	14.4
107.04967	1.9
107.07964	1.6
107.08612	20.7
109.06519	7.9
109.10149	4.9
111.04424	2.9
111.08067	1.5
113.05926	1.6
119.08588	11.5
121.06528	2.1
121.09319	2.0
121.10159	37.7
123.08078	14.7
123.11709	4.0
125.05984	1.3
125.09634	2.6
127.07524	2.0
131.08572	4.4
133.06506	1.2
133.10139	5.2
135.08051	1.5
137.09615	9.6
139.11243	1.2
143.08611	1.4
145.10117	3.6
147.07965	1.6
147.11699	23.0
149.09634	100.0
151.07515	2.8
151.11197	2.8
156.09378	2.4
161.09630	1.5
161.13280	6.0
163.11197	2.9
165.07069	1.3
165.09068	1.9
165.12778	15.3
167.08632	1.0
167.10637	2.0
171.11720	4.4
179.14304	4.1
181.12277	1.9
189.12775	15.3
197.05844	1.1
207.13828	55.9
225.05534	1.5
225.09074	3.7
225.12872	1.7
225.14786	16.1
225.16528	1.6
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	Sundiversifolide
Peak:m/z	Relative Intensity
50.70999	0.6
53.03936	0.8
55.01870	0.8
55.05513	2.6
57.03434	1.1
57.07080	1.0
59.04986	1.1
67.05497	2.6
69.03429	1.5
69.07064	2.2
71.04998	6.2
71.14671	1.7
76.66782	0.7
79.05499	4.9
81.07047	5.2
83.04981	4.4
83.08633	1.0
85.02921	1.5
85.06535	0.9
86.13983	0.7
91.05493	3.6
93.07051	12.9
95.04969	3.3
95.08617	5.6
95.55658	0.7
97.06516	2.8
99.04462	5.8
103.05473	1.0
105.03426	1.2
105.07041	10.2
107.04929	0.9
107.08598	11.6
109.06558	3.8
109.10142	3.9
111.08066	1.0
113.06005	0.7
113.09631	0.8
115.71432	0.6
117.07031	0.6
119.08586	8.6
121.06522	1.2
121.10155	36.2
123.08058	4.7
123.11713	2.7
125.06007	2.7
125.09640	1.3
131.08565	4.1
133.10132	2.6
135.11679	1.2
137.09644	9.7
137.13251	1.8
137.54402	0.7
142.98276	0.7
143.08549	1.2
145.10161	1.4
147.08063	0.7
147.10638	1.2
147.11702	14.3
149.09628	100.0
151.07574	2.2
151.11134	0.8
153.12685	1.0
161.13257	5.4
163.11212	3.8
163.59837	0.7
165.09106	0.8
165.12769	9.1
167.10648	1.5
171.11757	1.9
179.14328	1.9
181.12241	2.7
183.13820	1.3
189.12753	12.6
197.05838	1.0
207.13824	52.0
225.09348	0.9
225.14868	13.1
228.58202	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1487
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
54.17712	0.7
55.05503	3.0
57.07088	1.3
59.04956	1.0
67.05514	3.6
69.03429	2.0
69.07072	2.2
69.78395	1.5
69.78810	2.6
71.04999	8.2
79.05508	5.3
81.07051	4.4
83.05009	4.7
83.08611	1.1
85.02905	0.9
85.06521	1.1
91.05495	4.3
93.07056	13.0
95.04984	2.8
95.08629	5.9
97.02866	0.9
97.06532	2.7
98.21483	1.2
99.04471	8.3
105.07040	9.9
107.05001	1.5
107.08607	13.6
109.06525	5.0
109.10162	5.4
111.08109	1.1
113.09680	1.0
119.08588	8.6
121.06567	0.8
121.10159	37.2
123.08101	6.2
123.11763	4.1
125.05999	4.0
125.09631	2.0
131.08594	5.5
133.10164	2.9
135.08046	1.1
135.11639	0.8
137.09631	10.1
137.13234	1.7
139.07446	0.7
139.11186	1.2
143.08521	1.0
145.10161	1.9
147.08055	1.6
147.11700	15.9
149.09637	100.0
150.09906	1.3
151.07591	2.2
151.11201	1.1
153.12743	1.1
161.09627	1.6
161.13263	5.7
163.11197	5.9
165.09190	1.2
165.12790	8.8
167.10655	2.0
169.10106	0.8
171.11710	1.6
179.14308	1.5
181.12274	2.7
183.13823	1.4
189.12756	13.5
195.13809	1.0
207.13837	51.4
225.14856	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	225.1486
Annotation	Jhanilactone
Peak:m/z	Relative Intensity
53.57683	3.6
55.05502	13.7
57.07071	5.7
66.16898	3.4
67.05502	12.1
69.07051	6.5
70.07339	9.6
71.04990	4.7
78.53304	3.7
79.05501	22.6
81.07060	20.5
83.04977	8.3
91.05471	12.0
91.89674	3.8
93.07047	14.2
95.04975	16.9
95.08617	10.0
97.06544	4.5
101.95023	7.1
105.03432	7.0
105.07018	11.7
107.08599	12.4
109.06486	5.2
109.10205	3.9
117.87809	3.5
119.08575	6.7
121.10183	5.5
143.08687	4.4
147.11658	4.7
161.13309	8.9
169.10211	5.4
171.11674	8.1
190.53403	4.0
203.86308	4.1
207.13785	11.8
225.12846	8.2
225.14828	100.0
235.52710	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	225.1486
Annotation	Annuionone A
Peak:m/z	Relative Intensity
53.28500	1.0
53.30790	1.1
55.05517	6.8
57.07079	1.6
59.05010	1.5
67.05493	2.9
69.07076	2.4
70.62991	2.2
70.63342	1.8
71.04997	37.5
79.05492	5.4
81.03418	1.5
81.07047	6.8
83.04955	2.4
83.08628	7.1
85.02901	2.2
85.06526	2.0
91.05491	3.9
93.07029	4.6
94.79164	1.1
95.04951	3.3
95.08615	5.4
95.29584	1.3
97.06535	3.4
99.04459	100.0
99.08083	1.5
105.07051	6.3
107.08598	35.2
109.06519	28.7
109.10133	1.5
111.08099	1.5
113.09663	3.3
119.08574	4.9
121.10167	16.5
123.08080	21.1
123.11715	14.1
125.05985	1.5
125.09641	6.6
127.07553	1.1
131.08577	2.8
133.10106	1.4
135.95213	1.1
137.09616	1.6
137.13214	2.2
139.11169	2.1
141.12688	2.4
147.11700	6.1
149.09625	42.8
151.07549	4.8
156.09358	2.1
161.13272	3.6
163.11157	3.4
165.12752	10.2
167.10693	26.8
171.11777	2.6
179.14331	5.1
182.95621	1.1
183.12384	1.1
183.13809	28.7
189.12772	5.9
207.13783	11.6
212.28867	1.2
225.12837	2.1
225.14868	23.3
225.17039	0.8
228.58066	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88604	1.1
52.99308	1.0
56.74252	0.9
69.93739	2.4
69.94124	2.6
78.92723	1.0
82.99878	2.4
84.96060	1.3
90.39643	1.0
98.21434	1.6
98.97681	1.7
100.02486	1.3
101.00883	34.6
103.00687	1.5
107.66811	1.0
116.98826	1.6
119.01929	99.1
120.02059	4.8
121.01699	2.8
124.02496	4.0
134.99904	3.6
137.02965	22.2
140.98894	1.9
142.03511	42.9
143.03671	3.2
143.31506	1.0
144.03268	1.7
153.00980	1.9
158.99919	8.2
160.04576	10.6
161.03043	2.9
162.04379	1.3
170.48868	2.7
177.00961	100.0
178.01044	9.8
178.49573	1.9
179.00803	3.8
179.03984	6.4
179.49458	13.9
179.99438	6.2
180.49425	1.6
181.99580	1.2
182.99898	1.5
187.99211	6.2
188.49881	3.3
188.99738	1.1
190.49480	10.6
191.00243	7.9
191.50275	3.7
192.00041	1.2
195.02003	2.2
196.06587	1.1
196.94588	1.3
198.94324	2.0
199.50081	42.8
200.00104	10.7
200.50085	4.1
201.00897	6.1
201.06157	1.0
202.00423	4.9
202.50418	1.8
210.07794	1.0
210.47879	1.3
211.00870	7.3
214.95683	3.0
215.95683	2.1
216.95311	5.9
217.04105	10.1
219.02022	84.1
220.02144	15.0
225.00929	2.8
232.96530	2.2
233.42596	1.0
234.96416	3.0
238.95551	8.5
239.97086	1.4
242.03691	1.3
243.01990	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1283
Annotation	Maokonine
Peak:m/z	Relative Intensity
55.05526	0.4
58.06615	3.9
59.05009	0.9
60.95992	0.4
68.05041	1.4
71.55578	0.7
79.05505	5.2
80.05033	0.9
81.07066	0.8
82.06567	0.6
91.05488	9.3
93.07063	1.3
95.04996	1.3
103.05478	12.9
104.06274	0.9
105.03385	0.5
105.07043	35.9
107.04971	7.8
115.05472	1.1
117.07042	1.3
118.06551	14.0
119.04961	1.9
119.07352	2.1
119.08665	0.5
120.08121	22.4
121.06521	0.5
123.04421	1.1
128.06244	5.8
130.06540	3.1
131.04950	3.6
131.07326	3.1
131.08575	1.9
132.08089	1.9
135.04437	1.0
136.07602	4.4
141.07025	0.6
143.08595	3.8
145.08847	0.8
149.05943	0.8
150.02673	0.7
151.07634	0.5
160.11237	100.0
161.11584	1.1
163.03888	0.5
164.61775	0.5
165.05440	0.9
165.42598	0.5
178.12291	84.0
179.12666	0.7
182.08168	0.8
206.11792	11.2
224.09334	1.0
224.12830	30.0
224.16469	1.6
226.04459	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	223.1693
Annotation	Rishitin
Peak:m/z	Relative Intensity
53.03940	2.6
55.01886	2.7
55.05515	11.3
56.76443	1.5
57.03441	1.6
57.07082	23.8
61.02928	1.8
62.41662	1.4
65.03927	2.0
67.05512	44.2
69.03429	2.7
69.07079	11.9
70.20834	3.3
70.21223	3.5
71.04993	3.8
71.08639	1.9
79.05058	2.6
79.05499	42.1
81.07064	43.6
83.04971	4.4
83.08624	5.0
85.06556	18.3
91.05484	14.3
93.07056	80.5
95.04967	3.9
95.08612	41.6
97.06525	5.1
103.07574	2.0
105.07029	11.6
107.08601	61.0
109.06544	3.1
109.10176	24.2
111.08114	2.4
117.07034	2.9
119.08618	7.7
121.06532	8.8
121.10155	44.7
123.08069	6.9
123.11720	7.5
131.08560	10.5
133.10068	2.4
135.08073	12.7
135.11684	8.4
136.15369	1.5
137.09586	1.6
139.07567	5.3
145.10101	9.3
147.11670	2.3
149.02353	5.4
149.09612	10.5
149.13275	3.2
153.09114	6.6
161.13272	11.6
163.11203	5.0
163.14832	100.0
167.10677	3.9
177.16388	8.8
181.12231	3.5
187.14818	12.8
191.83806	1.8
195.11707	1.5
205.15895	25.1
212.43484	1.7
223.05902	2.0
223.11295	2.4
223.14967	1.7
223.16930	29.5
223.20436	2.2
225.04323	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	223.1692
Annotation	Rishitin
Peak:m/z	Relative Intensity
50.02273	2.2
55.05512	16.9
57.07069	9.1
67.05504	58.6
69.03419	2.5
69.07063	13.4
71.04990	3.5
71.08630	3.0
71.30856	3.6
79.05491	39.4
81.07052	62.8
83.04974	4.5
83.08618	8.1
85.06541	9.5
91.05479	16.0
93.07043	76.9
95.04987	5.8
95.08612	47.3
97.06522	5.3
105.07047	10.1
107.08595	63.2
108.36300	2.2
109.06535	2.3
109.10146	35.1
111.08080	3.4
111.81662	2.2
117.06996	4.1
119.08602	10.0
121.06516	8.9
121.10140	40.4
123.08092	4.9
123.11684	11.0
125.06077	2.8
131.08583	10.8
133.10132	3.8
135.08058	14.4
135.11685	10.2
137.09663	3.1
139.07541	6.6
145.10182	9.7
148.66664	1.7
149.02371	3.1
149.09625	10.5
149.13289	2.8
153.09082	5.8
161.13255	11.5
163.11171	3.6
163.14815	100.0
167.10661	4.7
177.16362	10.8
187.14835	16.9
205.15889	25.1
208.21216	2.4
223.16920	26.3
225.04250	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1694
Annotation	Rishitin
Peak:m/z	Relative Intensity
53.03940	2.6
54.26974	1.2
55.01856	3.9
55.05295	1.4
55.05515	13.5
57.03417	2.4
57.07090	5.3
59.04985	1.1
60.02167	1.0
62.09529	1.0
65.03931	1.6
67.05510	50.2
69.03419	2.1
69.07066	12.5
69.59462	6.9
71.04974	4.2
71.08622	2.5
79.05498	38.7
81.07062	55.7
83.04991	7.0
83.08614	9.1
85.02897	1.5
85.06524	4.0
91.05480	12.7
93.07051	74.4
93.45380	1.0
95.04970	5.2
95.08611	52.3
97.06548	5.7
97.10158	3.8
99.08099	2.1
101.05959	1.3
102.24590	1.2
105.07029	11.8
107.04918	1.8
107.08601	59.6
109.06506	3.0
109.10161	32.5
111.08071	4.0
117.07024	4.7
119.08598	8.3
121.06532	9.9
121.10152	41.5
123.08083	5.5
123.11729	9.4
125.05984	3.2
125.09563	2.1
127.07594	1.4
131.08592	13.0
133.10112	6.3
135.08055	11.2
135.11688	8.2
135.87241	1.0
137.09616	2.0
137.22087	1.2
139.07527	5.8
139.11125	1.1
145.10106	8.7
147.08081	1.1
147.11653	3.2
149.02405	6.7
149.09644	11.7
149.13286	2.5
151.11136	1.0
153.09088	7.4
159.11679	4.4
161.13284	12.3
163.11183	6.6
163.14833	100.0
165.06946	1.2
167.10687	4.4
177.12666	1.3
177.16373	9.0
181.12213	1.8
181.15807	1.3
187.14839	18.2
193.10133	2.3
195.11810	1.6
205.12152	2.0
205.15881	24.2
208.12491	1.8
223.05923	1.4
223.11273	3.6
223.13266	3.0
223.14981	2.7
223.16922	28.8
223.20564	3.6
225.04333	4.7
227.02339	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	223.1694
Annotation	Rishitin
Peak:m/z	Relative Intensity
50.16856	0.6
53.03954	2.3
55.01881	3.1
55.05511	11.9
57.03449	1.0
57.07078	7.0
65.03959	1.4
67.05509	47.1
69.03451	1.5
69.07069	11.3
69.39722	5.1
71.04995	2.6
71.08643	2.2
77.03931	1.1
79.05495	39.5
81.07063	50.7
82.67409	0.6
83.04980	5.5
83.08618	7.9
85.06542	5.4
85.10203	1.3
91.05478	15.8
93.07049	73.1
95.04974	3.7
95.08610	49.7
96.08954	0.7
97.02879	0.8
97.06522	4.0
97.10188	3.4
101.06011	0.8
105.07031	9.6
107.04972	1.3
107.08597	55.3
109.06556	4.8
109.10160	30.3
109.10915	1.2
111.08096	2.7
117.07021	4.3
119.08571	8.5
121.06511	8.7
121.10146	42.5
123.08080	3.9
123.11719	8.1
125.05996	2.5
125.09642	2.3
127.07560	1.4
129.06975	0.8
131.08580	9.9
133.10139	4.8
135.08064	10.7
135.11705	8.3
137.09589	1.4
139.07544	6.1
139.11221	1.4
141.09103	1.3
143.08598	0.7
145.10120	8.5
147.11696	2.0
149.02351	4.9
149.09627	11.8
149.10767	1.3
149.13290	2.0
151.14900	0.8
153.09109	5.2
159.11700	3.0
161.11992	1.0
161.13278	12.4
163.11217	5.9
163.14828	100.0
164.15138	1.3
165.06973	0.7
167.10706	5.0
177.12749	1.7
177.16377	8.2
179.08405	0.9
181.10724	0.6
181.12245	2.9
181.15863	0.7
187.14835	16.8
197.63138	0.7
205.15891	26.6
205.19542	0.9
207.02826	0.7
208.08701	0.8
223.05894	1.0
223.07820	1.1
223.11142	1.9
223.13226	2.2
223.16927	25.8
223.20293	1.4
225.04326	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	222.0762
Annotation	Hyrtioerectine C
Peak:m/z	Relative Intensity
56.96566	0.6
57.10856	0.4
67.05499	0.5
69.07059	0.6
71.55535	0.6
71.55911	0.5
77.03905	0.4
79.05482	0.6
81.03384	0.5
83.04980	0.6
85.02908	0.8
91.05494	1.3
93.07035	0.9
97.02892	0.6
103.05471	1.3
105.07018	0.8
106.06553	0.7
107.04936	0.6
107.08578	0.4
110.06105	0.4
116.05736	0.4
116.98632	0.4
118.06537	1.0
120.08112	13.1
121.06529	0.5
123.04435	1.4
124.04774	1.1
130.06531	100.0
131.06865	1.1
132.04456	16.7
133.10110	0.4
134.05981	1.3
140.45755	0.4
146.06058	0.6
148.07578	31.6
158.06020	30.8
158.07959	0.5
161.05974	0.9
162.06406	5.3
163.07487	0.6
176.07072	84.4
177.07394	0.9
194.08139	0.8
204.03777	0.4
204.06503	3.2
222.05658	0.5
222.07616	7.6
222.11197	0.8
225.04283	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0601
Annotation	Fraxinol
Peak:m/z	Relative Intensity
52.40430	0.6
53.03943	0.6
55.01877	0.7
55.05526	0.8
56.96561	0.7
57.07088	1.0
58.50129	0.6
61.02907	0.6
65.03948	1.9
67.05514	1.7
69.03445	1.0
69.07076	1.2
71.01359	1.7
71.24519	1.2
75.28545	0.6
79.05505	1.9
81.03435	1.4
81.07059	1.4
81.21049	0.6
83.04993	2.3
85.02924	2.3
89.03941	1.8
91.05447	3.5
93.03416	2.8
93.07060	2.7
95.04992	2.3
95.08625	1.7
97.06542	0.8
98.21425	0.7
99.04485	1.0
103.05479	2.8
105.07056	2.0
107.04974	2.6
107.08620	2.1
109.06534	1.4
111.04461	15.8
111.08096	1.5
113.02386	1.2
115.05444	0.7
117.03381	1.4
117.07047	1.1
119.04939	1.7
119.08580	1.0
120.08126	2.0
121.02872	3.4
121.06536	1.8
121.10141	1.3
123.04442	0.7
123.08092	1.3
131.04922	6.9
131.08617	1.3
133.06554	0.8
133.10207	0.8
135.04433	9.1
135.08064	1.1
135.11708	1.0
136.89787	0.6
137.02354	2.3
137.06004	2.1
137.09639	0.7
139.03918	62.6
145.02831	1.7
145.10144	0.8
147.04375	0.8
147.08041	0.8
149.02361	13.2
149.04254	1.4
149.06020	4.8
151.03943	1.2
159.04485	0.8
159.11713	0.6
160.11224	1.6
161.06013	1.1
161.09355	0.6
163.03925	100.0
163.11180	1.7
164.04300	1.6
177.01871	1.9
177.05496	4.3
177.06909	0.6
177.11153	1.2
177.12660	1.0
178.12303	1.0
181.04977	26.2
181.12230	1.1
187.11186	1.1
195.04817	2.8
195.06421	0.7
205.04936	2.2
205.12239	1.2
209.01154	2.0
223.02425	5.0
223.06042	42.8
223.11304	1.4
223.13086	4.0
223.16960	2.0
225.04318	18.4
226.04341	0.8
227.02232	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	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.00298	2.4
53.03955	1.7
55.05511	13.4
57.07064	4.1
67.05502	12.1
69.07072	14.8
70.76664	3.7
71.04998	27.2
73.06554	2.6
79.05492	18.6
81.07063	76.4
83.04968	1.5
83.08613	6.1
85.06518	3.9
91.05473	12.3
93.07049	51.7
95.04955	3.0
95.08611	37.5
97.06507	3.1
97.10138	3.1
99.08073	4.8
105.07030	31.5
107.08596	66.1
109.10159	30.4
109.10907	1.5
110.64841	1.3
111.08079	3.9
111.11750	2.3
113.09628	4.2
117.07012	1.7
119.08585	59.7
121.10170	12.1
123.08132	3.1
123.11718	19.7
125.09604	3.4
127.11174	5.4
131.08569	1.8
133.10126	22.4
135.11696	100.0
137.09592	4.6
137.13246	3.6
145.10089	2.6
147.11694	25.9
149.13239	11.6
151.11185	2.9
159.11664	2.2
161.13264	14.2
163.14856	5.5
165.09119	2.0
165.12752	1.9
175.14828	5.1
175.38025	1.4
177.16406	3.2
203.17970	45.2
206.16139	2.0
221.15501	3.1
221.19017	71.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	0.4
56.96559	0.8
57.03414	0.4
62.87762	0.4
67.05494	1.3
69.03420	0.6
71.05022	0.5
71.08074	1.0
79.05492	0.7
81.07082	0.7
82.07357	0.4
85.02908	0.7
86.39070	0.5
91.05486	1.2
93.07072	0.7
95.04968	0.7
97.02889	1.0
98.97587	1.1
103.05443	0.7
105.07010	1.0
106.06590	1.0
106.07296	0.6
109.06523	0.5
110.06046	0.4
115.05527	0.5
116.98616	1.2
118.06537	1.3
119.04945	0.5
119.08575	0.8
120.08115	11.8
120.08936	1.0
121.06548	0.7
121.10145	0.6
130.06531	100.0
130.20920	0.4
131.04916	0.6
131.06859	0.9
132.04454	17.1
132.08104	0.5
134.99597	0.5
135.04427	0.5
146.06026	0.7
147.04431	1.1
148.03941	1.7
148.07578	27.2
149.02332	0.5
149.05968	0.5
155.73448	0.4
158.06021	29.9
162.06282	0.5
163.03821	0.5
164.32919	0.4
176.03598	1.9
176.07077	89.8
177.00705	0.5
177.07381	1.5
194.04491	6.0
194.11865	0.5
204.06541	2.3
204.12180	0.7
222.04015	3.2
222.07620	5.2
222.11298	0.7
222.15392	0.8
223.02480	0.5
225.04340	0.6
232.63301	0.4
236.90286	0.4
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
53.31015	2.5
55.05502	13.4
55.28170	2.8
67.05495	10.4
69.07064	14.0
69.54211	15.7
69.54614	7.4
71.04996	28.1
79.05506	20.7
81.07066	63.8
83.08607	4.7
91.05470	13.6
93.07059	42.4
95.08607	27.9
97.06540	3.1
97.10145	4.1
105.07031	29.1
107.08606	70.2
107.09341	2.5
109.10162	26.9
119.08588	44.4
121.10142	11.1
123.07993	4.1
123.11692	13.7
127.11179	4.5
133.10146	22.8
135.11714	100.0
137.09709	3.0
139.11156	3.0
147.11691	26.6
149.13225	13.2
151.11194	3.5
161.13240	11.9
163.14803	8.3
175.14777	5.5
179.95944	3.1
191.41261	3.1
203.17993	41.5
221.17085	5.2
221.19046	63.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.17015	1.3
51.70582	1.2
55.05515	11.4
57.07074	3.7
67.05508	7.8
69.07074	12.7
69.29616	1.3
69.54488	3.2
69.54900	6.8
71.05001	20.4
73.62313	1.2
79.05496	17.8
81.07064	56.4
83.04967	3.7
83.08620	7.5
85.06541	2.6
91.05497	8.4
91.98438	1.2
93.07052	40.2
95.04992	1.8
95.08617	34.9
97.06554	3.4
97.10163	2.6
98.20827	2.8
99.08095	5.8
105.07037	23.4
107.08601	62.7
109.06532	3.8
109.10166	25.7
111.08097	2.0
113.09586	1.5
117.07044	1.9
119.08593	38.8
121.10148	10.3
123.08051	2.8
123.11723	19.2
125.09686	2.4
127.11210	5.1
131.08612	1.8
133.10149	21.4
135.11705	100.0
137.09569	3.1
137.13254	4.5
145.10144	2.7
147.10635	2.0
147.11707	22.0
149.13324	6.6
151.11188	3.5
159.11548	1.3
161.13275	11.9
163.14856	5.5
165.12692	2.1
175.14890	4.1
177.16383	2.6
203.17976	36.6
220.20088	1.2
221.19035	52.7
239.96565	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	(Z)-Lanceol
Peak:m/z	Relative Intensity
53.03947	1.5
55.05514	14.1
56.91472	1.3
57.07067	3.5
60.96118	1.5
67.05489	6.6
69.07069	9.7
71.04995	17.8
79.05502	14.5
81.07064	54.2
83.08611	5.4
85.06532	2.8
91.05478	9.7
93.04819	1.5
93.07053	35.0
95.08621	25.9
97.10165	3.4
98.20681	3.1
99.08082	4.5
105.07049	20.5
107.08606	55.2
109.06511	1.5
109.10158	20.0
111.08133	1.7
119.08585	33.6
121.10145	8.9
123.08087	2.4
123.11717	18.0
127.11197	5.0
133.10144	20.9
135.11702	100.0
137.09621	4.7
137.13246	3.9
139.11186	1.7
145.10139	2.7
147.11697	18.1
149.13246	5.9
151.11198	4.3
155.70506	1.4
159.17610	1.4
161.13261	10.4
163.14835	4.3
165.12807	3.0
173.04602	1.8
177.16426	2.4
179.66502	1.6
203.17955	29.7
221.19022	49.0
226.72787	1.5
231.22778	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03939	1.8
55.05509	11.2
57.07066	4.9
65.03933	1.1
67.05505	12.1
69.07063	12.5
70.69986	3.0
71.04991	19.2
79.05492	16.5
81.07056	52.9
83.04971	2.0
83.08607	5.9
85.06531	2.2
91.05470	12.6
93.07037	40.2
95.04962	2.0
95.08042	2.2
95.08605	28.3
95.49140	1.0
96.94193	1.1
97.06520	2.9
97.10185	1.7
99.08084	4.2
105.07027	28.0
107.08592	58.2
109.06522	2.8
109.10146	22.8
111.08067	3.9
113.09724	1.8
117.07013	2.3
119.08578	38.5
121.10137	10.4
123.08080	3.7
123.11707	15.0
125.09639	1.6
127.11194	5.7
131.08571	1.9
133.10126	22.9
135.11691	100.0
137.09608	3.5
137.13252	4.2
139.36403	1.1
141.34367	1.1
143.08449	1.7
145.10155	2.1
147.08081	1.9
147.11671	24.2
149.13278	7.7
150.51784	1.1
151.11163	4.7
159.11769	2.0
159.32648	1.2
161.06001	2.0
161.09659	1.2
161.13243	16.4
163.14856	3.8
165.12770	2.3
175.14815	6.1
177.16402	2.5
179.14336	1.4
185.13298	2.1
203.14346	3.9
203.17963	33.4
206.16255	1.3
213.04341	1.1
221.08049	6.8
221.11708	1.9
221.15746	6.3
221.19019	43.7
244.23230	1.4
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
53.03939	1.9
55.05510	12.9
57.07062	3.7
59.05000	1.3
65.03931	1.1
67.05219	1.0
67.05508	12.1
69.03425	1.5
69.07074	10.6
69.43186	5.1
69.43610	3.8
71.05000	15.9
79.05498	17.0
81.07059	52.0
83.04971	3.6
83.08647	5.6
83.09036	1.2
85.06545	1.6
91.05483	11.2
93.07047	36.8
95.04959	2.6
95.08605	24.5
97.06528	2.5
97.10155	2.1
99.08087	4.5
103.05513	1.4
105.06388	1.6
105.07042	25.4
107.08599	58.1
109.06500	4.8
109.10166	18.6
111.08066	3.0
111.11729	1.5
112.91916	1.1
117.07051	1.4
119.08585	40.6
121.02880	2.1
121.10162	8.6
123.08080	2.2
123.11724	18.1
125.09647	1.9
127.11185	4.6
129.06953	1.2
130.06532	3.4
131.08568	1.9
132.04443	2.2
133.10139	26.3
135.11699	100.0
137.09628	5.1
137.13223	3.4
145.10120	3.4
147.07973	2.0
147.11691	20.2
149.02347	30.0
149.13249	6.8
151.11176	4.5
157.07603	1.2
158.06018	4.4
159.11687	2.4
160.12473	1.9
161.03052	1.7
161.09572	1.6
161.13272	19.9
163.14850	4.9
165.09079	1.8
165.12753	2.6
175.08788	6.0
175.11211	1.7
175.14856	7.5
177.16391	3.1
185.13414	1.2
185.69676	1.2
193.15845	1.4
203.14314	3.3
203.17961	29.7
221.09523	2.4
221.15654	7.8
221.19025	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.02380	0.8
52.14471	0.7
53.03949	3.6
55.01859	2.3
55.05265	1.2
55.05512	15.2
57.03432	1.1
57.07078	4.2
59.05006	1.4
65.03918	1.8
67.05181	1.0
67.05507	17.4
69.03437	7.7
69.06724	0.9
69.07072	12.7
71.04641	1.2
71.04996	16.0
77.03883	0.9
79.05501	25.6
81.03412	0.8
81.07060	61.8
83.04987	5.9
83.08627	8.6
85.02879	1.5
85.06542	2.9
87.08129	1.0
91.05473	19.4
93.07046	41.8
94.99153	0.8
95.04977	5.4
95.08611	31.4
97.02863	0.9
97.06516	3.3
97.10165	2.7
99.04429	1.1
99.08085	3.3
103.05495	1.6
105.04528	0.9
105.07029	31.4
107.04960	2.7
107.08597	69.3
109.02869	1.1
109.06516	9.5
109.10157	26.4
111.04458	0.7
111.08086	6.6
111.11678	0.9
113.09673	1.3
115.05466	3.0
117.07035	4.7
119.04913	1.0
119.06068	1.0
119.08585	41.8
121.06493	4.3
121.10146	16.0
123.04492	1.1
123.08073	8.4
123.11707	14.8
125.09624	2.9
127.11153	4.0
128.06218	4.7
129.06995	3.1
130.06506	5.2
131.08585	3.9
132.04449	3.4
133.06546	3.6
133.10135	28.4
135.08087	2.8
135.11699	100.0
136.12018	0.9
137.05995	6.9
137.09618	9.5
137.13260	4.2
139.07491	2.0
139.11093	1.2
141.06966	1.4
143.08575	6.4
145.06483	2.5
145.10121	4.9
147.04422	1.7
147.08104	4.7
147.11681	21.1
148.07742	0.8
149.02339	6.0
149.09618	1.2
149.13240	5.4
151.07547	5.4
151.11191	5.3
153.03729	0.7
153.09155	1.3
157.07626	1.8
157.10152	2.1
158.05998	7.7
159.08086	1.6
159.11717	3.5
160.05180	1.2
160.12439	1.2
161.05977	2.7
161.09651	4.0
161.13266	26.7
162.06721	0.8
163.07494	1.0
163.11133	3.5
163.14876	4.7
165.01871	0.7
165.09100	4.6
165.12761	2.7
171.08130	4.9
173.05896	0.7
174.06783	2.3
174.13972	0.8
175.07475	5.0
175.08801	8.8
175.11206	2.9
175.14847	8.0
176.07414	2.5
177.09119	6.6
177.12706	1.4
177.16403	2.0
179.10651	1.0
179.14299	0.9
185.09776	0.9
185.13333	4.5
188.08405	1.8
189.09166	0.9
190.09285	1.3
191.09694	2.5
191.14206	0.9
193.15897	4.3
203.10704	12.0
203.14328	8.2
203.17955	32.8
206.16249	2.1
212.03592	0.8
221.08090	3.1
221.11646	3.4
221.15411	26.6
221.19003	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	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05513	12.0
56.96571	4.4
57.07063	6.5
59.04999	1.5
65.03942	1.6
67.05499	8.9
69.07083	11.4
70.76965	2.7
70.77306	3.2
71.04999	13.4
79.05499	14.8
81.07061	47.5
83.04983	4.5
83.08613	6.5
84.99744	1.5
85.06522	1.7
91.05443	9.3
93.06468	2.2
93.07043	32.3
95.04947	3.6
95.07985	1.7
95.08611	34.8
96.50850	1.8
97.10185	2.7
99.08075	4.3
105.07039	19.4
107.08597	58.3
109.06499	4.3
109.10158	19.5
111.08081	3.6
117.07040	1.7
119.08575	28.2
120.63271	1.6
121.06544	3.6
121.10159	10.9
123.08055	3.5
123.11715	15.9
125.09638	2.2
127.11249	2.5
131.08556	2.4
133.10150	25.7
135.11705	100.0
137.05931	2.3
137.09605	6.0
137.13240	4.6
145.10150	3.0
146.45609	2.1
147.08101	2.2
147.11694	16.3
149.13275	5.8
151.11151	5.0
161.13226	10.8
162.33212	1.6
163.14851	4.6
165.12709	2.6
175.14809	6.0
193.15672	1.8
203.14249	2.3
203.17963	33.1
206.10941	3.4
206.16273	6.1
219.07828	6.8
221.07951	2.5
221.13490	8.4
221.15370	3.3
221.19049	42.3
228.08334	2.0
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
53.03939	2.9
55.01856	1.1
55.05516	14.5
57.07067	3.3
65.03944	2.5
67.05511	9.5
69.03429	3.5
69.07072	8.5
70.01122	1.1
71.05000	10.6
71.56047	1.4
79.05492	15.0
81.07059	34.4
83.04977	1.7
83.08604	4.4
85.06542	1.5
91.05481	12.8
93.03394	1.1
93.07043	29.6
95.04974	3.2
95.08602	23.4
97.06532	2.0
97.10167	1.5
99.08078	3.4
103.05448	1.1
105.07029	21.7
107.04936	1.3
107.08599	45.6
109.06548	5.9
109.10160	15.7
111.08073	4.5
117.07051	1.9
119.04926	1.2
119.08584	27.2
121.02875	7.8
121.06471	3.7
121.10155	9.5
123.08079	4.5
123.11718	7.7
127.11199	1.9
130.06555	1.1
131.08582	2.7
133.06482	1.3
133.10139	20.4
135.08064	2.4
135.11696	68.8
137.05977	2.8
137.09615	6.7
137.13228	2.9
142.07748	1.3
143.08557	1.2
145.10088	3.8
147.08118	2.2
147.11688	14.6
149.02345	100.0
149.09566	1.6
149.13239	3.9
150.02646	1.7
151.11188	5.2
157.10185	1.9
158.05991	1.4
159.11705	4.5
161.05988	2.0
161.09625	2.7
161.13254	22.8
163.11162	1.9
163.14781	3.3
165.12779	2.3
175.07391	5.7
175.08852	2.0
175.11230	2.7
175.14772	6.1
177.09137	1.7
177.12686	1.4
177.16467	1.3
179.14404	1.5
185.13240	1.6
196.79742	1.2
201.41876	1.0
203.07077	2.3
203.14330	3.1
203.17958	21.5
203.41856	1.1
206.16237	1.8
221.04439	1.6
221.07915	2.3
221.11761	2.6
221.15459	12.7
221.19014	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	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05505	11.5
57.07080	2.9
67.05495	6.7
69.07071	8.9
70.88672	4.6
71.05000	19.8
79.05485	11.2
81.07062	47.9
83.08612	5.4
91.05484	10.5
93.07045	35.0
95.08612	19.8
99.08140	1.9
105.07037	16.9
105.31238	1.7
107.08601	58.0
109.06541	3.7
109.10158	17.4
113.09622	1.8
119.08594	28.9
119.63451	2.0
121.10151	8.5
123.11709	15.2
133.10130	21.8
135.11694	100.0
137.09619	4.0
145.10085	2.5
147.11681	14.9
149.13300	6.0
151.11229	3.0
157.73514	1.8
161.13242	10.7
163.14795	5.0
166.40237	1.9
175.14792	2.5
203.17973	29.1
221.19026	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03945	3.5
53.83213	1.3
55.01860	2.2
55.05514	14.5
57.03439	2.1
57.07066	6.4
59.05015	1.6
62.67510	1.4
65.03941	2.2
67.05219	1.5
67.05508	16.4
69.06761	1.6
69.07079	13.8
70.03291	3.2
70.03683	2.8
71.04999	25.7
73.15285	1.3
79.05499	23.8
79.44205	1.3
81.07063	67.5
83.04975	5.2
83.08612	6.6
85.06548	4.5
91.05476	20.5
93.06470	3.2
93.07047	48.1
93.07629	2.5
95.04967	5.1
95.08615	36.6
97.06512	5.4
97.10158	4.7
98.21445	2.3
99.08093	4.7
105.07037	40.0
107.04930	3.5
107.08600	65.9
109.06515	5.3
109.10162	31.7
111.08089	5.5
113.09640	1.5
117.07007	2.7
119.08587	58.4
121.06512	4.2
121.10150	14.1
123.08058	4.2
123.11720	17.1
125.09635	4.2
127.11189	6.1
129.06993	2.7
131.08582	2.0
133.06488	2.2
133.10143	36.1
135.08119	3.3
135.11702	100.0
137.05945	1.6
137.09659	6.0
137.13231	3.3
139.07539	2.8
143.08565	4.1
145.10132	3.8
147.08075	3.7
147.11697	27.9
149.02344	4.7
149.09604	2.4
149.13252	8.8
151.11176	4.7
157.10129	2.0
159.11652	3.7
161.09604	4.8
161.13271	27.0
163.11230	2.3
163.14799	3.4
165.09158	4.4
165.12741	4.4
175.11113	1.8
175.14822	14.0
177.09088	5.0
177.16336	1.9
185.13252	4.4
193.15909	2.1
203.14507	7.9
203.17978	42.7
206.16191	2.3
221.09831	1.7
221.11652	2.2
221.13393	2.4
221.15500	21.2
221.19011	57.7
221.22176	4.3
222.78583	1.4
242.34155	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1537
Annotation	Dehydrocarissone
Peak:m/z	Relative Intensity
53.03934	2.1
54.95228	0.7
55.01859	2.0
55.05512	9.0
57.03433	1.5
61.42606	0.6
62.01589	0.7
65.03931	1.0
67.05169	1.1
67.05503	15.0
69.03420	1.6
69.06760	0.8
69.07063	8.1
69.22633	2.0
69.23034	6.6
71.04986	4.6
79.05492	26.0
81.07055	23.7
83.04965	4.4
83.08611	6.8
85.06541	1.9
91.05473	23.4
93.07046	32.6
95.04964	3.5
95.08610	16.9
97.06520	2.5
99.04456	1.1
105.03410	0.9
105.07032	37.3
107.04964	1.7
107.08593	20.1
109.06509	5.9
109.10143	6.5
111.08067	2.8
117.07010	5.0
119.08581	44.3
121.06512	12.5
121.10133	10.1
123.08063	4.6
123.11678	2.1
124.69786	0.8
129.06964	2.3
130.06490	3.7
131.08539	3.8
132.04442	2.1
133.06482	2.8
133.10126	23.9
135.08012	5.5
135.11699	6.3
137.05968	1.4
137.09578	3.1
139.07526	8.4
143.08571	5.6
144.46671	0.8
145.10115	3.2
147.04373	0.8
147.08051	4.6
147.11679	10.1
149.02365	4.5
149.09589	2.3
151.11220	1.1
153.09111	2.6
157.07739	0.8
157.10156	3.7
158.06046	4.5
159.11705	16.5
161.05978	1.0
161.09644	5.5
161.13257	100.0
162.13557	1.6
163.02664	1.1
163.03912	1.2
163.11189	1.8
165.09135	4.7
172.86618	0.8
173.13217	0.9
175.07437	1.2
175.08740	6.7
175.11171	3.2
175.14827	18.1
179.10645	2.5
179.14233	1.0
185.13280	14.7
189.62003	0.8
193.15909	1.9
203.07002	1.3
203.10660	1.1
203.14322	27.0
203.17999	1.6
206.16203	1.3
221.04443	1.3
221.09471	1.6
221.11859	1.8
221.15353	45.8
221.18842	2.2
222.15807	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1538
Annotation	Oblongolide
Peak:m/z	Relative Intensity
51.02372	1.3
53.03936	4.5
55.01867	2.1
55.05267	1.4
55.05514	20.4
56.96572	1.5
57.03407	1.6
57.07055	3.3
59.04994	2.8
65.03922	1.5
67.05508	19.0
69.03419	1.5
69.07071	16.4
69.39529	2.1
69.39934	8.6
71.05015	8.9
71.06345	1.2
72.99706	1.2
73.06560	1.4
77.03922	1.7
79.05500	63.9
81.03365	2.0
81.07064	44.5
83.04971	4.6
83.08614	4.7
85.02905	2.4
85.06553	5.9
87.04474	2.8
91.05483	63.1
93.07053	63.5
95.04975	6.0
95.08047	2.1
95.08620	25.1
97.06516	3.6
97.10176	1.7
101.05988	2.9
102.43909	1.3
103.05448	3.8
105.07041	81.0
107.04971	1.8
107.08608	46.0
109.06525	8.3
109.10178	7.1
111.08058	2.7
113.05955	1.6
115.05449	2.8
117.06330	1.6
117.07048	18.3
119.08593	100.0
120.08932	1.5
121.06510	4.3
121.10159	30.0
123.08060	4.8
123.11694	3.7
128.06210	4.4
129.07021	12.2
131.08582	18.2
133.06468	1.4
133.10147	43.2
135.08035	3.6
135.11694	8.2
137.09619	2.8
142.07756	2.4
143.08592	14.5
145.10139	3.8
147.08078	16.5
147.11710	17.8
149.09576	1.1
149.13277	1.9
151.07539	2.0
153.09084	1.8
157.06516	2.4
157.10120	4.9
159.11728	23.4
161.05981	1.6
161.09651	19.5
161.13268	76.4
163.03937	9.0
165.09160	5.9
171.12141	1.2
175.02748	1.8
175.07556	2.3
175.11203	9.9
175.14845	17.4
179.10674	5.5
181.81866	1.1
185.06009	1.9
185.13269	21.5
193.03697	1.1
193.12282	1.3
203.06998	3.0
203.14337	32.9
203.17923	4.1
206.10886	2.9
206.16241	2.4
207.30542	1.2
221.08151	6.3
221.11745	2.6
221.13498	2.3
221.15376	55.0
221.18919	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	221.1538
Annotation	Oblongolide
Peak:m/z	Relative Intensity
51.59386	0.6
51.59743	0.5
53.03942	2.5
55.01865	1.6
55.05522	3.6
55.40943	0.5
57.07068	1.1
59.04987	1.1
65.03954	0.8
67.05166	1.1
67.05507	14.6
69.03420	0.8
69.07071	5.0
69.96890	3.0
77.03901	0.7
79.05500	24.4
81.03413	0.9
81.06578	0.9
81.07063	14.8
83.04971	0.8
83.08629	2.3
83.70535	0.6
85.06541	1.2
91.05485	33.1
93.07053	30.9
95.04997	4.1
95.08619	6.4
97.06543	1.4
97.75057	0.6
98.21378	1.3
99.08143	0.8
101.05986	1.1
103.05466	0.6
105.04523	1.2
105.07042	30.5
107.08614	8.8
109.06525	1.7
109.10168	1.7
111.08089	1.2
115.05455	0.8
117.06999	3.3
119.08591	21.1
119.81889	0.6
121.06530	1.7
121.10158	2.8
123.08083	1.9
125.74779	0.6
128.06236	0.8
129.07005	9.0
131.08569	1.3
133.06499	0.6
133.10126	6.7
135.11703	1.1
137.05966	0.9
137.09593	1.4
141.07054	0.6
143.08574	5.1
145.10139	9.3
147.08057	2.2
147.11699	100.0
148.12013	1.1
153.09070	0.8
155.30565	0.7
161.09642	2.1
161.13275	19.2
165.09116	1.4
171.11707	28.2
175.03798	0.7
175.11162	1.0
175.14871	0.9
189.12758	27.9
203.14262	0.8
205.14822	0.7
206.16249	1.7
221.04430	1.1
221.07837	0.9
221.11519	1.3
221.13393	1.0
221.15367	15.7
221.18811	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
55.01868	0.5
55.05513	12.9
57.03451	0.3
57.07070	0.4
65.03925	1.7
67.05503	1.9
69.03418	0.9
69.07073	1.2
71.04983	0.5
71.55622	0.3
71.55985	0.4
79.05487	2.2
81.07061	4.9
83.04987	0.6
83.08596	0.8
91.05448	2.8
93.03407	0.9
93.07044	2.8
95.04969	0.8
95.08624	2.8
99.04429	0.6
103.05502	0.5
105.07025	3.9
107.04932	0.6
107.08607	2.9
109.06485	0.8
109.10169	1.6
111.04454	0.6
111.08105	1.5
115.05450	0.5
117.07000	0.9
118.49979	0.4
119.08590	4.0
121.02878	6.8
121.03912	0.6
121.06526	1.0
121.10155	1.5
123.04424	0.6
123.08083	0.7
123.11717	0.6
129.07014	1.0
130.06546	1.0
131.08562	1.1
133.06514	0.7
133.10141	3.0
135.08051	0.8
135.11687	1.0
135.73059	0.4
137.06010	1.0
137.09610	0.8
143.08540	0.7
145.10121	0.9
147.08035	0.6
147.11687	1.6
149.02345	100.0
149.13245	0.4
150.02672	1.5
151.07596	0.6
157.10135	0.8
158.06064	1.0
159.11584	0.7
161.05986	0.9
161.09618	1.6
161.13300	2.9
163.07545	0.5
163.11180	0.6
165.09001	0.4
167.03375	1.8
175.07506	1.5
175.08813	0.7
175.11194	1.0
175.14832	1.3
177.09177	0.4
177.12752	0.4
179.10716	0.5
179.15854	0.3
185.13255	0.8
193.15791	0.6
198.18694	0.3
203.07057	1.2
203.10686	0.8
203.14349	1.4
203.17969	0.7
206.16206	0.9
221.04512	0.7
221.07974	2.7
221.11812	1.8
221.15364	4.6
221.18657	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0809
Annotation	CHEBI:69693
Peak:m/z	Relative Intensity
53.03940	1.9
55.01883	4.3
55.05486	2.6
56.96573	5.7
57.03423	1.7
57.07058	3.2
59.04979	1.1
61.02636	1.3
61.02926	19.0
61.52538	0.9
65.03928	1.7
67.05509	4.6
69.03403	3.6
69.07049	2.4
69.55973	2.7
69.56400	3.2
71.01349	1.5
73.04771	0.9
75.90443	0.8
77.03922	1.0
79.05506	4.9
80.21838	0.9
81.03422	5.3
81.07082	4.0
83.01328	1.4
83.04953	2.1
83.08604	3.2
85.02906	7.2
90.05564	4.5
91.05445	18.3
93.07023	2.5
95.04952	3.9
95.08588	2.8
97.02903	12.8
99.04453	1.8
103.05469	10.1
105.06390	1.3
105.07037	25.2
107.04962	100.0
107.08583	4.3
108.05247	0.9
109.02877	1.2
109.06493	2.4
109.10194	4.2
111.04433	1.7
111.08087	6.5
115.05468	9.2
116.03442	0.8
117.07026	6.8
118.04314	0.9
119.04943	13.1
119.08588	8.7
121.02875	54.3
121.06513	10.9
121.10105	1.0
123.04418	2.5
123.08067	2.1
127.03819	1.5
128.06194	3.3
129.07036	6.2
130.06519	6.1
131.04941	30.0
131.08504	1.2
132.04500	4.2
132.05725	4.6
133.06499	69.3
133.10124	3.0
134.06813	1.0
134.10866	0.9
135.04424	14.9
135.08023	2.8
135.11684	1.1
137.02299	1.2
137.06013	1.8
137.09599	4.0
143.04897	2.3
144.05721	1.2
145.06490	17.9
147.04416	39.3
147.06967	2.0
147.08061	26.1
149.05975	7.7
151.07509	1.2
151.11183	1.4
153.09077	3.1
155.06032	3.2
157.06494	21.3
157.07635	1.7
158.06047	7.6
159.04445	8.4
159.08031	1.2
160.05206	27.5
161.05991	78.6
163.07497	1.3
165.05446	2.1
165.09082	1.4
171.05579	9.1
173.05974	5.0
175.03922	10.0
175.07500	17.9
175.08722	7.0
175.10994	0.9
175.14804	3.6
176.07018	1.2
176.10645	1.7
177.05489	10.8
179.03424	1.6
179.07016	1.2
179.10718	1.6
185.05904	5.8
185.09975	2.1
191.07001	2.8
193.04906	3.7
193.06491	1.0
193.15845	3.0
203.03427	2.0
203.07030	34.6
203.10907	3.7
203.14365	0.9
206.16214	3.1
206.99594	0.8
213.04338	1.9
220.98996	0.9
221.00974	1.5
221.02745	1.7
221.04492	3.6
221.08051	42.6
221.11771	3.1
221.15359	5.9
221.18231	2.5
239.02240	3.7
239.09573	1.3
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
55.01868	0.4
55.05494	1.1
56.96539	0.4
57.03408	0.3
57.07086	0.6
67.05489	1.0
69.03418	0.5
69.07053	0.6
71.04993	0.5
71.56247	0.4
78.16103	0.3
79.05466	1.1
80.05820	0.4
81.07053	1.8
81.17290	0.3
82.07368	0.3
83.04972	0.3
84.04492	0.6
91.05468	1.7
93.07037	1.6
94.07354	0.6
95.08572	1.2
96.08953	0.4
98.97539	0.4
105.07029	2.8
106.07374	1.4
107.04958	0.3
107.08556	1.3
108.08895	0.8
109.10118	0.9
117.07015	0.6
118.05700	0.5
118.06546	9.7
118.07307	0.5
119.08567	1.7
120.08092	0.5
120.08904	0.7
121.10125	1.1
122.10452	0.9
123.08089	0.5
124.08375	0.4
130.06468	0.3
131.08510	0.6
132.08047	2.7
132.08926	0.8
133.08847	1.3
133.10130	2.5
134.09601	0.9
134.10445	2.1
135.07967	0.3
135.11676	0.4
136.12076	0.5
145.10065	1.0
146.09558	2.7
146.10600	0.5
147.10419	0.4
147.11674	0.5
148.12012	0.9
149.09581	0.4
158.05954	0.4
159.11635	0.8
160.12006	1.1
161.09575	0.4
161.13242	2.1
162.09134	5.0
162.13597	0.6
163.11116	0.5
165.09149	0.4
174.13515	0.4
175.07156	0.4
175.08630	0.9
175.11067	0.4
175.14809	0.6
176.10744	4.0
176.14351	27.8
177.11397	1.0
177.12747	0.7
177.14700	0.3
185.13216	0.4
190.12283	3.3
192.06506	0.4
193.15889	0.3
202.15958	1.0
203.14290	1.0
204.14725	1.7
205.15881	4.9
220.16943	100.0
221.15312	0.8
221.17282	1.2
234.28320	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1181
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
55.01880	1.3
55.05512	0.8
57.07077	5.6
59.05003	6.0
67.05509	6.9
69.07076	5.9
70.02960	8.2
71.00734	1.1
72.04518	16.8
73.02913	3.2
74.02453	2.1
76.96263	0.7
80.87710	0.7
83.04942	1.1
85.06557	11.2
85.07024	1.4
86.09699	1.8
87.08105	1.8
90.05560	100.0
95.04973	6.5
96.08138	2.6
98.02420	16.7
100.03984	2.3
103.07584	8.2
111.09543	0.9
113.06020	2.9
116.03459	15.0
123.81290	0.7
124.07597	19.2
131.07112	1.2
142.08630	9.8
156.10193	1.6
160.09708	1.9
166.08640	2.4
174.05547	2.3
174.11252	2.1
184.09703	20.0
184.11340	1.0
202.10756	29.9
205.15837	1.6
213.53386	0.8
220.05989	1.1
220.11812	29.0
220.17865	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1745
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
53.03932	1.1
55.05267	1.2
55.05514	18.3
56.45014	0.8
57.03436	1.1
57.07072	2.0
67.05510	5.9
69.03423	1.8
69.07072	6.3
70.68797	0.9
71.04996	10.2
71.15439	2.2
73.63239	0.9
79.05505	6.8
81.07064	11.7
82.40756	0.9
83.04980	4.4
83.08607	3.3
85.06530	1.1
87.08125	0.8
91.05486	18.0
93.07050	13.8
95.04965	2.6
95.08057	1.0
95.08618	11.5
97.02867	1.1
97.06514	1.5
97.10194	1.0
103.05492	1.2
105.07039	40.7
107.04959	1.3
107.08606	12.2
109.06528	3.3
109.10160	8.3
111.08071	1.7
113.09666	0.9
114.34650	0.8
115.05422	1.5
116.06217	1.3
117.07012	8.4
119.07810	1.1
119.08598	17.4
121.06491	3.6
121.10152	35.1
123.08057	2.7
123.11677	1.0
125.09671	2.4
129.06996	4.2
130.07784	2.0
131.08589	18.5
133.10138	100.0
134.10475	1.9
135.08031	2.6
135.11700	8.0
137.09624	2.9
143.08572	2.1
144.09378	1.0
145.06471	1.1
145.10133	19.3
147.08075	1.1
147.11699	18.1
149.09618	3.9
149.13246	2.5
151.11177	1.7
157.10123	2.2
158.10930	1.3
159.08057	2.1
159.11696	22.9
161.09601	2.7
161.13269	9.5
163.11215	5.9
172.12550	1.1
173.09645	1.3
173.13287	5.9
174.06734	1.7
175.14915	4.1
175.88686	1.0
176.11911	0.9
176.14348	0.9
177.09064	1.9
177.12730	3.3
177.16347	2.1
189.09102	2.1
191.17924	2.7
201.08952	1.6
201.12526	1.0
201.16403	18.4
203.14340	10.6
219.06493	1.1
219.10153	1.7
219.13866	5.5
219.17445	77.4
220.17160	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	219.1017
Annotation	Methyl 2,2-dimethyl-2H-1-chromene-6-carboxylate
Peak:m/z	Relative Intensity
53.03929	3.4
55.01877	1.5
55.05500	3.7
55.25718	0.8
56.96554	1.1
57.07070	1.7
61.58524	0.8
65.03945	21.2
67.01865	1.3
67.05170	1.3
67.05508	21.9
69.03433	1.1
69.07063	3.1
79.05498	7.0
81.03413	8.9
81.07071	4.5
83.04965	6.1
83.08611	1.0
83.12646	0.8
91.05486	45.2
93.03405	3.1
93.07042	7.5
94.04163	1.0
95.04974	55.4
95.08598	2.2
97.06531	2.0
98.20773	1.6
103.04038	0.9
103.05454	3.5
104.26821	0.9
105.03393	4.9
105.07040	7.3
107.04964	38.7
107.08611	4.9
109.02876	0.9
109.06510	3.5
111.04449	0.9
115.05457	7.6
116.06248	6.2
117.07026	23.7
119.04943	2.8
119.08593	11.5
121.06495	3.1
121.10142	6.6
123.08052	1.5
125.05994	1.1
128.06221	2.7
129.07004	9.1
130.07774	1.2
131.04939	12.6
131.08572	36.0
132.05702	1.2
133.06500	4.1
133.10153	8.1
135.08080	3.5
135.11658	2.0
137.06010	2.2
141.07027	6.1
142.07835	0.9
143.08534	2.0
143.36899	0.8
144.05688	4.2
145.06482	9.3
145.10117	4.3
147.04472	0.9
147.08066	2.2
147.11682	1.8
149.06071	1.9
149.09590	1.7
159.04485	1.9
159.08064	40.1
159.11694	3.6
160.08774	2.5
161.09608	5.8
161.13248	5.3
163.07527	2.8
163.11183	2.6
173.09572	1.3
173.13274	2.2
175.11188	1.6
175.14795	2.3
177.09117	2.1
177.12755	1.1
187.07571	21.5
187.11160	2.0
188.12065	1.0
191.07011	2.6
191.10754	1.9
198.30402	1.1
201.09059	1.0
201.12645	1.6
201.16400	2.0
203.14342	33.9
205.08611	6.3
205.15958	1.1
219.02965	2.0
219.06805	1.3
219.08049	1.9
219.10170	39.3
219.14131	11.3
219.17442	100.0
220.17950	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
52.90476	1.0
53.03938	1.3
55.01863	1.4
55.05518	6.0
57.03429	1.5
57.07071	1.4
67.05511	4.2
67.13290	0.9
69.03428	0.9
69.07063	3.0
69.29404	8.7
71.05000	5.5
71.41579	0.8
74.21912	0.8
79.05502	4.7
81.03426	1.1
81.07064	13.5
83.04984	2.2
91.04964	1.4
91.05493	20.1
93.07070	8.7
95.04974	2.7
95.08604	7.8
97.06548	3.2
97.10169	1.1
103.05462	3.4
105.07043	23.9
107.08612	10.6
109.06503	2.5
109.10184	5.9
115.05460	11.7
116.06241	1.6
117.07012	6.8
119.04937	1.2
119.08591	10.9
121.06519	1.0
121.10152	10.3
123.08080	2.9
125.09661	5.1
128.06241	12.7
129.07018	44.1
130.07777	4.0
131.04935	9.7
131.08585	47.7
132.05646	1.2
133.06546	1.1
133.10144	35.5
135.08047	3.1
135.11682	3.5
137.05971	5.1
137.09605	1.5
141.07004	38.5
142.07755	1.0
143.04938	2.2
143.08537	4.5
144.05719	8.6
145.06511	7.0
145.10139	11.0
146.07294	6.0
147.04463	1.0
147.08076	1.6
147.11703	8.3
149.09688	1.8
149.13322	1.2
156.05750	1.3
157.06511	20.9
157.07744	1.8
157.10114	1.4
158.07289	24.9
159.04405	4.2
159.08072	31.0
159.11697	9.1
160.05229	5.5
161.05960	1.5
161.09637	4.5
161.13266	5.8
162.06668	1.4
163.07539	2.8
163.11174	2.9
169.06476	17.7
169.07753	2.1
170.07297	9.8
173.06029	5.9
173.09622	2.9
173.13258	4.7
174.06779	82.9
175.07561	12.1
175.14819	2.5
176.08313	1.1
177.12762	2.0
185.06097	1.9
186.06770	17.8
187.07507	1.9
188.08360	3.9
189.09128	98.9
190.09526	2.3
191.07019	2.2
191.10677	8.0
191.17975	1.6
201.05446	1.5
201.09128	44.0
201.12785	1.8
201.16415	8.7
202.09430	1.5
203.14343	15.7
219.10188	100.0
219.13826	4.5
219.17447	58.4
220.10612	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.05490	1.6
56.18701	0.9
57.03105	0.9
57.03417	1.9
67.05519	2.0
69.03424	1.6
69.07057	1.4
70.56083	2.8
79.05453	1.0
81.07029	1.8
91.05484	12.3
102.04642	1.4
103.05492	4.7
105.07034	2.9
107.08606	1.8
108.48213	1.0
115.05460	12.0
116.06255	3.5
117.07024	4.9
119.04977	1.7
119.08578	3.9
121.10126	3.2
128.06218	11.2
129.07013	43.3
130.04138	1.0
130.07750	3.8
131.04921	10.6
131.08583	39.2
133.10139	3.7
135.08081	1.6
137.05972	4.2
141.07001	37.8
142.07802	1.2
143.04904	2.1
143.08545	3.5
144.05719	5.2
145.06487	11.9
145.10089	1.4
146.07242	6.1
147.04427	1.6
148.05162	1.9
157.06500	23.6
158.03685	2.6
158.07281	21.8
159.04430	3.8
159.08064	29.9
159.11703	1.3
160.05257	5.6
161.05943	2.4
161.09627	5.6
161.13274	1.9
163.07552	3.6
168.05827	1.3
169.06474	16.1
169.07703	1.3
170.07281	7.1
171.04472	1.1
173.05968	6.9
173.09634	1.5
173.13274	1.3
174.06776	83.3
175.03754	1.0
175.07545	12.7
175.14737	1.1
185.06032	1.4
186.06783	17.6
187.07567	1.7
188.08368	4.1
189.09123	100.0
190.09413	1.7
191.07051	2.4
191.10672	8.0
201.05463	5.5
201.09119	40.5
203.14290	8.4
219.06696	2.4
219.10172	99.7
219.17436	29.3
220.10587	1.3
231.32289	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
51.02396	1.0
57.03432	2.2
62.01592	0.9
67.05508	1.8
69.07085	0.9
70.54848	3.2
79.05487	1.2
81.03412	1.1
81.07103	2.3
91.05483	14.6
93.07015	1.4
97.06574	1.1
98.97582	1.0
103.05471	3.4
105.07024	3.4
107.08596	1.2
111.04442	1.2
115.05465	11.6
116.06227	3.0
116.93462	0.9
117.07012	4.4
119.04933	1.5
119.08583	3.6
121.06493	1.6
121.10109	1.4
128.06230	11.0
129.07016	43.5
130.04099	1.1
130.07816	2.5
131.04964	9.0
131.08580	42.1
132.05750	1.1
133.10132	2.8
133.61491	0.9
137.05981	4.6
141.06999	37.7
143.04901	2.5
143.08565	3.2
144.05716	6.0
145.06500	8.5
146.07306	5.7
147.04497	1.3
155.04933	1.2
155.06033	1.6
157.06508	20.2
158.03700	2.0
158.07304	23.6
159.04428	3.5
159.08072	25.6
159.11705	1.2
160.05202	6.0
161.05984	2.4
161.09612	3.5
161.13252	1.4
162.06757	1.1
163.07539	2.9
169.06482	15.9
169.07626	1.2
170.07269	6.5
171.04460	1.4
171.08078	1.1
173.05986	8.4
173.09685	1.5
174.06778	79.7
175.03868	1.2
175.07532	12.5
177.09116	1.1
185.06024	1.4
186.06786	21.2
187.07469	2.0
188.08362	4.5
189.09120	97.8
190.09331	1.1
191.07037	1.9
191.10657	9.0
201.05440	4.5
201.09132	41.1
203.14326	9.3
219.10181	100.0
219.17429	26.6
220.10452	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02573	0.3
57.06822	0.5
57.07074	7.5
58.06595	0.8
64.60387	0.3
69.23912	3.4
69.24304	0.7
70.06596	14.5
71.08633	5.0
85.70847	0.3
88.07635	21.0
98.20621	0.4
101.26842	0.3
102.09178	5.4
104.82281	0.3
106.08675	10.8
106.09409	0.6
126.42713	0.3
156.17487	0.7
171.73366	0.3
174.18521	1.4
175.74023	0.3
184.73380	0.3
200.20113	8.2
218.21158	100.0
219.21385	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0686
Annotation	4-Ethylphenyl 2-thienyl ketone
Peak:m/z	Relative Intensity
63.31031	1.7
70.07560	6.1
70.07973	2.7
73.56522	1.8
80.76552	1.7
88.64063	2.0
94.41737	1.6
98.20846	2.1
98.21381	2.4
99.24519	1.7
101.00887	5.2
101.99550	1.5
103.02454	2.1
119.01935	12.3
131.01909	2.4
133.06607	2.0
137.03027	2.3
145.03461	10.4
148.89885	1.6
163.04547	4.3
189.02536	3.1
207.03645	1.9
217.06883	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.0344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	13.2
55.05507	28.9
56.96571	65.2
57.03441	47.2
58.99885	11.3
61.02933	82.9
64.12602	5.2
65.73536	6.1
67.01859	7.4
67.05512	5.7
69.03427	25.0
69.64630	17.2
69.65056	20.9
71.04994	27.8
71.98508	5.4
72.08167	11.1
73.01428	7.6
73.02918	22.4
77.00903	7.3
83.04982	24.1
84.05313	10.4
85.02911	59.0
86.03678	5.6
87.04494	7.6
89.01613	6.2
91.02457	17.7
91.05431	8.1
95.01324	22.6
97.01389	7.3
97.02886	7.5
98.20596	6.1
98.97587	88.5
99.04456	59.1
100.02538	10.3
101.00893	44.3
102.00983	10.4
102.02437	11.6
102.06350	7.9
103.02411	9.8
105.36575	5.9
110.02148	7.5
111.04432	13.8
112.04787	19.7
113.00861	11.9
113.02362	30.3
115.02430	34.2
116.98645	57.4
118.03494	7.6
119.01928	100.0
119.02701	9.2
120.02015	38.0
121.01654	12.6
121.03265	9.4
122.02093	7.7
124.48257	7.4
127.03933	71.2
129.03961	9.9
131.01918	45.7
132.02026	9.3
133.02509	12.7
133.03481	60.6
133.24223	5.4
134.03583	6.6
134.99689	27.2
135.02890	11.5
135.05054	7.3
136.01860	11.9
136.93166	7.9
137.02942	15.0
138.03120	6.8
139.02405	6.1
140.03239	8.5
142.02910	12.5
143.01886	35.4
144.01764	8.1
144.99841	31.6
145.02463	8.7
145.03471	30.3
145.06506	7.8
146.03645	20.9
147.03195	6.2
147.05057	11.5
148.02882	6.7
149.03783	27.9
151.04610	7.4
154.94197	12.5
155.01939	9.9
156.07413	18.3
157.03484	11.2
159.01390	10.8
161.02960	44.7
163.02650	7.7
163.04654	8.4
167.01912	8.8
168.99959	6.2
171.01404	28.3
172.01576	21.0
172.99352	16.0
173.02974	16.3
173.08035	6.2
174.08507	11.9
175.04591	12.0
176.04546	9.4
177.00862	8.2
177.02457	17.7
178.01067	10.6
185.02997	27.4
187.00934	26.0
189.02516	17.2
189.05507	12.3
190.02614	10.1
191.00424	14.3
191.03999	11.7
195.01445	7.5
195.03404	11.7
195.05084	11.1
196.00983	7.5
196.99312	6.3
199.04543	6.9
201.02455	21.5
203.04083	22.5
205.01956	15.8
211.01057	7.0
213.06007	6.4
215.00368	16.1
217.01973	15.9
218.06815	9.0
218.11099	15.8
219.01762	14.2
219.03526	16.2
221.05106	12.1
229.01985	10.9
230.99496	7.9
233.01392	6.5
236.01643	8.9
237.00705	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	214.1591
Annotation	galanthan
Peak:m/z	Relative Intensity
58.06594	0.6
67.05492	0.7
69.07075	0.3
69.42259	2.3
70.06567	0.7
71.07153	0.3
79.05460	0.5
81.07029	0.8
84.92984	0.3
91.05455	1.0
93.05788	0.3
94.06590	1.9
95.04961	0.3
95.08588	0.7
95.86135	0.2
97.06519	0.3
105.03385	0.8
105.07037	0.5
108.08093	0.4
114.58832	0.3
117.07009	0.3
119.08598	2.6
121.10077	0.3
129.07011	0.4
131.08554	1.0
133.10130	1.1
137.02356	2.6
141.00018	0.3
141.06973	0.6
142.07744	1.0
143.08582	2.4
145.08894	0.3
145.10085	0.9
146.09567	0.4
150.96890	0.5
156.09375	2.2
157.10121	1.6
158.09714	0.3
158.10913	2.0
159.10440	0.6
167.08540	1.3
168.07870	0.3
169.10086	0.5
171.10411	0.3
171.11696	2.3
172.11150	0.6
173.09674	0.4
173.13339	1.3
179.14407	0.4
182.10928	1.8
184.11223	9.0
187.14734	0.3
197.13309	1.0
198.12793	10.3
198.56487	0.3
199.13574	40.8
200.13969	0.5
214.15924	100.0
215.07050	1.0
215.10445	0.4
215.14351	0.7
215.16246	1.7
215.18034	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.6
55.01856	2.9
55.05513	5.2
57.03443	0.9
57.07062	1.5
65.03928	2.7
66.91390	0.7
67.05516	4.1
68.99806	0.8
69.03436	3.5
69.07068	8.2
69.38657	1.4
69.39054	4.7
70.06583	2.6
70.49863	0.6
71.04988	2.4
79.05493	4.6
81.03421	2.8
81.07053	7.8
83.04988	1.3
83.08607	4.8
85.02924	1.5
85.06566	1.5
88.07640	1.4
91.05484	92.6
92.05779	1.3
93.07044	6.2
95.04966	5.8
95.08610	15.0
97.02908	0.7
97.06535	0.9
97.10175	3.1
99.04457	1.1
99.08096	8.9
105.03365	0.9
105.07020	2.5
107.04955	10.5
107.08598	16.2
109.02892	1.9
109.06548	0.8
109.10153	3.8
110.03667	1.2
111.04423	0.9
111.08086	4.7
113.09651	1.0
119.04948	100.0
119.08569	1.6
120.05765	8.7
121.02871	2.4
121.10146	21.2
123.08068	1.8
123.11687	1.2
125.02338	0.6
125.05972	0.7
125.09634	2.7
126.79223	0.6
127.03931	6.0
128.06197	1.6
129.06956	1.9
131.08519	1.3
133.10132	2.1
135.11711	7.5
137.05969	0.9
137.13268	2.4
139.07549	1.1
139.11218	1.3
141.06981	1.4
142.07768	2.1
143.08560	1.7
144.05675	1.2
149.09628	2.5
149.13228	2.0
151.03874	0.7
151.07545	1.1
152.06221	7.7
153.01797	0.7
153.06982	0.9
153.09085	0.7
155.08551	1.1
156.09328	2.2
157.06500	2.9
157.10101	5.2
165.07001	7.8
165.09108	1.0
166.07758	2.4
167.08551	9.0
167.10706	1.7
169.06488	1.3
170.07263	1.5
170.10864	1.3
171.08057	1.5
171.11714	5.6
176.06221	2.4
177.07004	5.8
177.09105	3.8
177.16393	28.6
178.16801	0.7
181.06540	0.8
183.08028	0.8
185.09578	1.5
185.13292	1.5
195.06474	1.1
195.08073	7.3
195.10138	2.2
195.11783	1.0
195.13834	0.8
195.17538	3.4
198.06767	1.5
212.73073	0.6
213.03810	1.5
213.05678	1.4
213.09143	21.7
213.10974	1.2
213.12979	3.3
213.16374	5.7
213.18356	1.6
230.74805	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	20.0
57.07071	8.5
58.28146	4.6
67.05500	14.6
69.03432	32.8
69.07078	29.2
69.47468	34.2
71.04994	13.4
76.83641	4.4
79.05480	9.5
81.03418	10.6
81.07063	47.7
83.08627	15.1
85.02905	4.7
85.06553	17.9
86.20789	3.9
88.40098	4.3
91.05456	6.9
93.07044	26.4
95.08616	58.2
96.30922	4.5
97.10163	4.1
99.08091	27.3
107.08603	57.3
109.02858	6.8
109.10158	20.7
111.08070	9.4
111.11713	5.4
121.10143	83.1
123.11739	11.3
125.09637	99.7
127.03928	22.4
135.11707	27.4
137.13254	27.7
139.11160	5.9
149.13220	7.5
177.16397	100.0
177.17813	7.7
185.09598	4.5
195.17445	31.0
201.56537	4.1
213.12767	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	213.185
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
51.34045	2.2
53.03947	4.7
55.01859	2.6
55.05502	12.8
56.28426	2.6
57.03444	4.4
57.07067	5.1
67.05505	8.3
69.03434	27.2
69.07070	26.1
69.47746	9.2
69.48170	10.6
71.04988	11.6
73.27039	2.7
79.05485	8.3
80.35583	2.9
81.03424	6.8
81.07063	37.0
83.08616	17.8
85.06564	18.5
91.05487	4.3
93.07044	22.8
95.08607	56.8
97.10168	7.1
98.20662	4.8
99.08092	24.8
105.07035	3.7
105.73579	2.4
107.08598	49.4
109.02889	5.6
109.10165	15.2
111.08084	5.9
111.11643	3.2
113.09658	3.9
121.10143	71.8
123.11730	12.9
125.09636	80.8
127.03920	26.5
129.07024	3.1
135.11717	24.2
137.13249	27.2
139.11220	3.2
149.13293	5.0
150.33250	2.3
157.10194	3.6
165.71867	2.3
177.16391	100.0
195.17453	23.5
213.03879	3.7
213.12837	6.5
213.16296	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	213.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.4
55.01853	5.2
55.05508	17.8
57.07078	9.6
67.05499	18.4
69.03428	37.5
69.07083	24.3
71.04959	14.1
79.05495	12.9
81.03406	6.7
81.07072	35.3
82.77844	4.0
83.08638	17.6
85.06551	14.2
88.07592	7.7
91.05495	22.1
93.07073	31.2
95.04958	7.7
95.08613	66.3
97.10159	7.6
99.04480	5.9
99.08092	23.5
105.07056	5.9
107.08583	45.3
109.02874	6.2
109.10172	23.1
111.08107	6.0
119.04924	8.4
121.10150	68.9
125.09638	93.4
127.03960	21.2
128.06155	4.6
135.11673	24.6
137.13211	22.8
143.08582	8.9
149.13242	6.9
154.99838	4.3
156.09410	5.9
157.10126	12.8
169.06361	4.4
171.11726	6.9
177.16393	100.0
185.09630	8.8
195.17500	18.8
213.09108	20.6
213.12944	22.0
213.16371	20.2
213.18243	5.2
219.06114	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	213.1851
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
51.25683	1.7
53.57479	2.0
55.01870	4.3
55.05516	16.3
57.07068	2.6
67.05496	8.0
69.03423	4.1
69.07070	19.1
71.04985	5.8
71.40739	2.6
73.87954	1.7
79.05491	5.9
81.03423	2.6
81.07066	17.8
83.08611	12.0
85.06523	3.4
85.30590	1.8
91.05495	4.0
93.07069	18.3
95.08615	45.7
97.10176	10.2
97.10704	2.0
99.04452	2.3
99.08096	22.6
100.11231	3.7
105.07043	5.4
107.08606	37.6
109.10174	12.1
111.08086	15.9
113.09667	3.3
121.10156	67.1
121.11028	3.4
123.11684	3.1
125.09615	5.3
127.03889	10.2
135.11714	15.5
137.13216	9.4
142.89012	2.0
149.13269	4.9
160.17329	1.8
170.09433	2.4
177.16403	100.0
182.15369	2.2
195.17458	15.7
199.18063	3.3
213.03917	2.0
213.12724	2.1
213.16338	2.1
213.18427	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	213.185
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
50.66686	1.8
50.95308	1.8
52.72838	1.7
53.03941	2.9
55.01865	5.0
55.05514	34.5
57.03397	2.8
57.07059	4.6
58.36746	1.6
58.89906	1.8
67.05515	8.8
69.03421	4.9
69.07078	24.3
70.06583	2.3
70.85246	5.3
71.04986	5.9
74.89654	2.0
79.05498	9.0
81.03429	4.3
81.07063	26.8
83.04974	3.7
83.08215	1.8
83.08634	21.6
85.02911	3.4
85.06526	4.2
88.07635	1.9
91.05482	5.2
91.58097	5.0
93.07055	17.4
95.04967	3.9
95.08613	43.7
97.02888	3.0
97.10179	9.7
99.04445	2.3
99.08089	21.2
100.07611	2.6
100.11264	46.3
104.31079	2.1
105.07012	7.2
107.08602	38.0
109.02894	5.3
109.10170	14.2
111.04491	2.2
111.08089	17.0
112.07597	3.3
113.09645	6.1
115.49117	1.9
121.10146	66.0
123.11666	2.6
125.09606	4.9
125.13235	2.3
126.09171	2.0
127.03934	12.4
135.11691	17.5
137.13234	7.6
139.11205	4.1
141.11484	32.8
142.07664	2.7
143.08548	2.8
149.13248	5.4
154.12297	10.9
155.11160	2.2
157.10072	6.6
161.24316	1.7
165.06898	2.1
171.11720	3.1
172.15677	2.5
177.16393	100.0
182.15437	24.6
193.28673	2.0
195.17413	9.7
198.06789	2.2
199.18068	19.8
209.16655	2.5
213.09143	15.8
213.12743	5.6
213.16106	3.1
213.17964	15.5
219.13519	2.0
225.16029	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	213.185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33455	0.9
53.03938	2.1
55.01869	7.3
55.05509	14.3
57.07062	3.5
64.86909	0.9
67.05515	7.1
68.99799	1.3
69.03423	4.4
69.07071	22.4
69.73163	2.3
69.73586	3.9
70.06621	1.1
71.05010	5.7
71.08633	1.4
74.59167	0.8
79.05495	9.8
81.03414	3.9
81.07063	25.0
83.04968	1.5
83.08629	12.5
85.02923	2.4
85.06551	7.3
87.00835	1.2
88.02106	1.1
88.07620	1.6
91.05503	5.4
93.07045	21.8
95.04954	1.4
95.08611	47.0
96.08878	1.0
96.28375	0.8
97.02895	1.3
97.06538	1.3
97.10175	11.8
98.20719	1.3
99.04447	1.8
99.08102	24.1
101.02425	1.1
105.03396	0.9
105.07027	4.7
107.08601	40.9
109.02881	3.6
109.10165	11.9
110.03671	2.9
111.08078	18.0
113.09618	3.8
115.11150	1.1
119.08581	1.9
121.10151	74.8
123.04434	1.9
123.11707	2.4
125.09640	7.4
125.13377	1.1
127.03918	11.4
128.06264	1.6
129.06998	1.2
131.08586	1.5
133.10109	1.3
133.66489	1.1
135.11700	15.9
137.13284	9.6
139.11197	2.6
142.07738	2.1
143.08562	1.3
145.17343	1.1
149.09575	2.7
149.13260	6.9
151.03918	1.7
153.01947	0.9
153.05447	1.2
157.06424	1.8
157.10150	3.6
167.08627	2.2
170.10852	1.3
171.07922	1.2
177.09105	2.0
177.16396	100.0
184.05190	1.1
185.09653	2.3
185.13245	1.0
195.06532	2.0
195.08189	1.2
195.10144	1.8
195.11787	1.3
195.17494	13.4
198.06924	0.9
198.10480	1.1
213.03946	3.2
213.09152	5.6
213.12791	5.3
213.16341	4.0
213.18521	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	213.0911
Annotation	(9R,10R)-9,10-dihydrophenanthrene-9,10-diol
Peak:m/z	Relative Intensity
53.03940	3.8
55.01858	2.2
55.05502	3.2
56.17455	0.8
65.03955	6.5
67.01860	2.1
67.05501	3.0
69.03435	9.9
69.07050	4.1
71.04994	1.6
79.05505	12.2
81.03415	2.9
81.07050	3.1
83.08614	2.1
85.02895	1.6
88.07626	3.0
91.05482	36.6
93.07027	3.0
95.04967	3.4
95.08588	4.0
97.02871	3.0
97.10131	1.0
99.04486	1.1
103.05486	2.8
103.18465	0.8
105.03376	6.0
105.07034	2.6
107.04957	5.6
107.08559	2.8
109.02907	1.7
111.08087	1.0
115.05466	11.8
116.06229	1.8
117.07024	11.6
119.04929	3.0
119.08586	2.3
121.10132	1.5
123.42308	0.8
127.03910	5.8
128.06232	16.2
129.07016	33.8
131.04939	1.4
131.08565	8.0
135.04424	2.2
139.05344	1.0
141.06990	11.1
142.07787	29.4
143.04924	4.2
143.08583	13.2
144.05635	2.3
145.06517	7.1
145.10114	1.3
147.04414	8.0
152.06209	19.0
153.07037	4.6
154.07771	3.6
155.06068	1.8
155.08562	2.9
156.09343	3.6
157.06526	7.3
157.10143	25.5
159.08040	6.5
165.05482	38.5
165.07004	12.6
166.07797	5.4
167.08577	41.7
169.06480	2.8
169.10149	2.1
170.07297	6.5
171.08044	6.1
171.11710	8.7
183.08012	1.1
183.11607	1.1
185.05989	4.2
185.09619	24.8
195.06500	3.0
195.08067	18.7
195.09787	1.4
198.06747	2.8
198.10216	1.0
198.13942	1.1
213.05772	2.6
213.09123	100.0
213.12665	4.9
213.16376	20.3
213.18413	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0911
Annotation	Benzyl benzoate
Peak:m/z	Relative Intensity
53.03938	0.7
55.01869	0.7
55.05521	0.5
56.96563	0.6
65.03941	2.4
66.37539	0.6
68.99789	0.6
69.03440	1.5
69.63203	3.0
79.05494	0.9
80.38422	0.5
81.07043	0.7
85.02917	1.0
88.07639	0.6
91.05488	88.8
94.27905	0.5
95.04984	4.3
95.08671	0.5
105.03407	1.0
107.04967	8.9
109.02879	0.9
119.04954	100.0
120.05746	10.2
121.02874	1.4
127.03930	1.4
128.06227	0.7
129.06985	1.0
130.07809	0.5
135.11757	0.6
141.07019	0.7
142.07823	0.6
144.05724	1.0
145.06508	0.7
152.06215	6.8
153.06995	0.8
153.33521	0.6
157.06526	2.6
157.10130	0.9
165.07005	5.8
166.07825	2.3
167.08582	8.8
169.06480	0.7
170.07390	0.6
171.08055	0.8
176.06169	2.3
177.06993	6.2
181.06393	0.8
183.08064	0.8
185.09586	1.7
194.07300	1.2
195.06494	0.9
195.08073	7.5
198.06723	1.0
211.07503	0.7
213.09125	21.5
213.12628	1.6
213.16241	0.8
234.87231	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0912
Annotation	Benzyl benzoate
Peak:m/z	Relative Intensity
53.03950	0.8
55.01873	1.4
55.05514	1.2
56.96572	0.6
57.03443	0.8
57.07084	0.6
65.03938	2.5
67.05496	1.0
68.99785	0.6
69.03432	1.6
69.07061	1.8
69.63000	2.6
70.06591	1.8
71.04984	0.8
72.08176	0.4
73.26493	0.4
78.19568	0.4
79.05489	1.8
81.03425	2.4
81.07063	2.3
83.04999	0.5
83.08611	1.4
84.63678	0.4
85.02896	2.4
85.06550	1.2
87.00833	0.5
88.07606	0.5
91.05488	89.2
92.05818	0.9
93.07055	1.4
94.06576	1.1
95.04974	4.8
95.08617	3.3
97.02905	0.8
97.06547	0.7
97.10181	0.6
98.97581	0.9
99.04484	0.6
99.08097	1.3
105.03383	1.0
105.07022	0.9
107.04961	9.4
107.08594	3.3
109.02911	1.9
109.06544	1.2
109.10162	1.5
110.03703	0.4
111.08083	1.3
111.10754	0.4
117.06986	0.4
119.04951	100.0
120.05759	8.6
120.06539	0.9
121.02878	1.8
121.10148	4.8
125.09633	0.9
127.03954	3.3
128.06242	1.2
129.07022	1.4
135.11693	1.7
137.13272	0.7
141.06993	0.6
142.07835	1.0
143.08545	0.6
144.05702	0.8
145.06500	0.6
149.09618	1.4
151.03969	0.5
151.07527	0.5
152.06223	5.9
153.07014	0.9
157.06549	1.9
157.10150	1.1
165.07014	6.0
166.07822	2.1
167.08583	8.5
169.06502	1.6
170.07274	1.0
171.08026	0.9
171.11705	0.9
176.06216	2.2
177.06998	5.4
177.08542	0.5
177.09157	0.5
177.16426	4.7
181.06537	0.6
183.08031	0.7
185.05991	0.5
185.09654	1.7
194.07269	1.2
195.06467	1.1
195.08063	6.7
195.17500	1.0
196.09140	0.5
197.06001	0.6
198.06830	2.0
198.10402	0.5
213.03793	0.9
213.05807	0.9
213.09135	21.5
213.12253	3.2
213.16293	2.0
213.18184	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0758
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
53.03944	3.4
55.01869	1.5
55.05496	2.5
59.67137	0.9
61.02931	11.0
65.03947	8.6
67.05506	5.8
68.99799	0.9
69.03418	1.5
69.07056	1.2
70.06599	17.2
70.87398	2.0
77.03925	2.2
79.05495	22.3
81.03433	2.7
81.07062	2.0
83.04980	1.1
85.02910	1.9
86.82295	0.9
88.07627	3.5
91.05487	39.2
93.03389	7.0
93.07026	2.7
94.04221	1.2
95.04978	7.8
95.08633	1.2
97.06535	1.1
105.03391	2.9
105.07017	1.1
107.04960	36.8
107.08607	2.6
108.02116	4.9
109.02908	3.4
109.06535	1.9
110.03671	26.8
111.04464	17.0
115.05469	1.3
116.07093	2.6
117.03342	1.4
119.04946	40.5
119.08592	3.5
120.05717	3.9
121.06519	10.2
121.10166	1.3
122.03660	7.6
123.04449	1.8
125.05999	65.6
127.03927	3.3
128.06195	6.2
129.07008	7.1
131.08589	1.8
133.02866	14.5
134.03514	1.1
135.03389	1.6
135.04425	30.2
135.05420	2.1
137.05995	7.0
139.05421	9.8
141.05481	3.8
141.07036	1.3
145.06543	0.9
149.04794	1.2
149.05991	23.6
149.09662	1.2
150.03133	12.5
151.03920	100.0
151.05035	10.7
152.04422	0.9
152.06158	3.3
153.05475	16.3
157.06496	10.0
162.03091	2.3
163.03946	6.1
163.05167	1.3
165.05502	40.0
165.06874	1.9
166.07814	1.2
167.04910	3.0
167.07057	18.0
167.08557	3.9
171.04390	1.4
177.05481	21.5
177.06879	1.3
177.09172	1.4
184.05179	1.2
185.05984	13.1
185.09615	1.0
195.04607	1.8
195.06535	16.1
195.08125	2.8
195.09976	1.3
207.98582	0.9
213.05504	84.9
213.07422	5.1
213.09004	7.2
213.12395	2.9
213.18250	1.1
214.05890	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0758
Annotation	Vanillactic acid
Peak:m/z	Relative Intensity
51.13698	1.0
51.52306	0.9
53.03940	4.2
55.01861	1.7
55.05506	2.3
56.96555	4.0
57.03431	1.4
65.03942	1.7
67.05496	3.1
68.99788	1.3
69.03420	2.6
69.07057	1.6
70.06594	6.5
71.04971	1.4
71.55884	1.6
73.02895	1.2
76.89790	0.9
79.05502	7.9
81.03427	2.3
81.07055	2.1
83.04972	1.3
83.08609	1.9
84.04524	1.0
85.02888	1.6
88.07645	4.9
91.04963	1.8
91.05482	21.6
93.03374	1.5
93.07051	24.3
95.04980	6.3
95.08594	1.7
97.02913	2.5
97.06532	2.3
98.97567	1.9
101.83920	1.0
103.05459	2.3
105.04512	2.2
105.07025	2.7
107.04955	7.8
107.08580	3.1
109.02876	2.7
109.06512	2.0
110.03659	3.8
111.04441	3.8
115.05510	1.6
116.07108	1.8
116.98633	1.4
119.04955	8.9
119.08571	1.7
120.05676	1.6
121.06513	48.4
121.10150	1.4
123.04426	2.1
123.08108	1.2
125.02382	1.2
125.05996	9.5
127.03914	3.2
128.06255	5.6
128.98663	1.2
129.07027	8.9
131.04948	1.3
131.08537	1.3
133.02843	2.1
134.99712	1.3
135.04434	5.8
137.05977	2.0
137.09557	0.9
139.03883	1.3
139.05426	12.5
139.06342	1.7
139.07503	2.3
140.04707	1.1
141.07066	1.4
143.08574	1.3
147.04440	1.5
148.97362	2.5
149.05988	59.3
149.09656	1.7
150.03140	2.1
151.03914	15.8
151.05020	1.8
152.07140	1.4
153.05463	3.6
157.06502	11.6
163.03955	1.4
165.05498	6.0
167.03506	1.9
167.04939	5.7
167.07066	7.3
167.08466	1.5
171.04366	1.6
177.05518	4.0
177.09172	1.0
178.05005	1.0
178.48520	0.9
185.05977	17.1
185.09688	1.0
189.97578	0.9
195.02899	3.6
195.04662	1.6
195.06538	24.6
195.08057	1.4
196.09792	4.5
213.03737	3.5
213.05499	100.0
213.07454	6.3
213.09099	2.6
213.16071	1.7
214.05717	1.1
214.10770	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	212.092
Annotation	CJ 14877
Peak:m/z	Relative Intensity
54.30712	0.5
55.01874	0.5
55.05513	0.6
56.96573	6.7
57.03447	2.3
61.02920	1.4
61.93171	0.5
69.03436	4.0
69.95793	0.4
70.06608	0.7
70.30751	2.0
71.95255	0.7
73.02917	3.3
81.03418	0.7
84.08160	2.7
84.96005	0.5
85.02903	3.9
91.05463	1.0
97.02920	3.4
98.06071	0.8
98.97595	9.0
99.04449	0.6
100.02467	1.6
101.00838	2.1
103.02470	0.5
106.06532	0.6
109.02868	0.8
110.01283	0.9
110.97572	2.1
112.07613	24.3
114.04022	0.6
116.01332	0.5
116.98640	3.6
118.03506	0.6
119.01901	5.2
119.04893	0.9
120.02052	0.6
120.08120	1.3
123.04449	0.8
124.07610	1.6
127.03946	0.7
128.97792	0.6
128.98653	2.8
131.01860	1.5
132.05095	0.8
133.03551	0.6
134.04979	0.8
134.06013	14.5
134.99651	1.7
136.07591	4.2
137.03003	0.7
137.06007	1.0
137.08356	1.8
138.05490	0.7
138.09160	0.5
140.05566	1.0
142.03532	1.1
143.00137	1.1
143.01874	1.3
144.05028	0.5
146.99615	1.9
147.04404	1.9
148.07584	5.0
149.02945	1.0
149.89833	0.5
152.02298	1.1
152.07079	31.5
158.06651	18.8
158.99648	0.9
159.01393	0.7
161.01237	0.8
161.02962	2.4
166.08656	31.6
170.06664	3.9
170.99640	2.2
171.01392	0.6
172.04579	1.4
176.07779	13.8
177.00775	1.1
182.03168	1.0
185.02969	0.6
185.05423	0.6
186.06061	0.6
188.07686	11.6
189.00710	3.2
189.02368	0.9
189.06044	0.9
194.08141	100.0
195.08461	1.2
200.07686	1.7
207.01778	1.2
207.03450	0.8
207.05081	2.1
212.07623	24.2
212.09232	46.6
213.07845	0.9
219.01691	1.2
222.46796	0.5
225.06172	0.7
230.08762	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
55.05510	24.4
57.03442	5.4
57.07067	7.7
67.05502	37.9
69.03423	6.7
69.07060	17.6
69.54840	20.4
70.27869	3.2
71.04993	37.3
79.05495	11.0
81.07050	36.7
83.04981	11.8
83.08623	13.0
85.06550	15.5
91.05479	8.9
93.07034	28.5
95.04971	78.8
95.08608	67.6
97.06539	6.9
97.10181	4.0
98.21449	8.8
99.04452	58.6
99.08093	80.7
105.07036	13.9
107.08626	27.6
109.06537	5.8
109.10159	100.0
111.08050	6.3
113.09679	10.0
115.07590	3.6
119.08571	20.9
121.10132	12.6
123.08061	10.3
123.11713	12.2
125.09638	10.7
133.10132	26.9
135.11696	65.7
137.09615	52.3
147.11688	5.9
149.13304	9.6
151.11168	10.1
151.14825	10.7
153.12733	13.6
155.10664	30.9
175.14868	23.9
193.15924	30.0
211.07503	3.8
211.15027	6.7
211.16914	46.9
219.60918	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	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
55.05515	31.3
57.03436	8.6
57.07082	8.6
67.05507	38.9
69.07074	21.4
70.11893	14.4
71.04999	47.9
79.05486	10.9
81.07064	52.2
83.04974	13.0
83.08618	13.3
85.06551	11.3
91.05501	14.0
93.07060	25.1
95.04973	7.1
95.08611	59.7
97.06536	8.9
99.04475	9.8
99.08109	8.5
105.07043	12.4
107.08594	34.0
109.06528	18.8
109.09453	7.1
109.10165	91.6
111.08079	39.8
119.08578	51.4
121.10145	25.2
121.50712	3.7
123.08087	46.8
123.11724	28.6
125.09641	21.6
133.10138	48.8
135.11716	57.6
137.09631	100.0
137.13260	6.9
138.10434	9.4
139.11159	7.5
147.11763	6.6
149.13300	13.4
151.11206	10.7
151.14810	5.5
155.08678	4.7
155.10733	8.9
163.73410	4.2
165.12772	10.6
169.10133	5.7
175.14830	63.7
178.35175	3.8
193.15889	32.3
211.14854	9.8
211.16965	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	211.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.2
55.05510	14.0
57.07070	4.7
59.04988	1.9
65.03914	1.3
67.05506	28.1
69.03432	8.6
69.07066	17.2
70.59342	2.7
71.04975	4.1
79.05490	5.8
81.07058	25.9
83.04980	10.4
83.08615	8.9
85.06533	3.2
91.05466	5.5
93.07043	11.3
95.04960	3.0
95.08606	40.3
97.06507	1.3
97.10151	3.6
99.08077	5.2
103.35470	1.1
105.06461	1.1
105.07034	9.8
107.08595	25.9
109.06515	11.8
109.10155	100.0
111.08085	3.6
119.08578	26.9
121.09387	1.4
121.10143	10.4
123.08075	14.6
123.11711	11.2
127.11219	0.9
133.10135	23.3
135.11694	64.2
136.40826	0.9
137.08627	1.7
137.09616	17.4
139.11160	2.2
147.11674	1.8
149.13310	5.3
151.11182	11.1
151.14818	10.4
153.12740	3.6
165.16344	2.4
175.14815	21.9
193.15883	17.8
194.48712	0.9
211.15034	1.3
211.16910	3.5
213.29720	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1692
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
50.94400	2.3
51.65160	2.3
53.03953	2.9
55.05518	30.1
57.03429	6.2
57.07065	8.8
59.05004	6.1
64.73349	2.4
67.05507	32.6
69.03424	35.9
69.07069	27.5
69.90052	6.4
69.90450	7.7
71.04992	16.6
73.70830	2.2
79.05482	11.5
80.26051	2.3
81.07065	41.7
82.90425	2.5
83.04983	28.4
83.08608	12.1
85.06539	17.6
91.05480	11.7
93.07047	27.9
95.04971	10.7
95.08614	55.1
97.06535	6.6
97.10188	3.6
99.04530	3.2
99.08094	37.9
101.06025	6.1
101.35676	2.6
105.07046	20.5
107.08605	47.8
109.06535	16.4
109.10161	100.0
111.08072	10.9
113.09637	9.7
119.08582	26.7
121.09364	3.9
121.10139	24.7
122.09306	2.8
123.08095	14.9
123.11712	31.5
125.09629	59.0
127.07542	3.3
133.10135	57.8
135.11703	64.9
137.09613	21.5
137.13226	4.9
139.11172	13.9
141.09108	3.0
147.11661	8.3
149.13264	10.0
151.11165	18.4
151.14819	11.1
153.12749	3.4
155.07031	3.8
155.10703	3.6
157.47861	2.8
163.14836	8.1
165.16414	14.2
175.11209	3.6
175.14868	43.0
181.40453	3.7
193.12286	3.6
193.15897	56.7
211.16946	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
55.05512	13.6
57.07064	4.0
59.04997	3.7
59.13567	1.0
60.81531	1.0
63.70531	1.0
67.05509	21.5
69.03423	2.9
69.07080	5.3
71.05003	14.2
71.12151	1.0
71.13820	1.5
71.14159	1.2
79.05492	3.3
81.07066	14.6
83.04977	4.7
83.08633	11.4
85.06563	6.4
91.05470	2.0
93.07057	9.7
95.04977	54.7
95.08617	42.6
97.06525	2.9
99.04476	14.9
99.08102	100.0
100.08559	0.9
101.06020	4.5
105.07043	3.6
107.08604	12.6
109.06532	5.5
109.10164	52.2
111.08067	3.6
113.06009	2.9
113.09629	2.1
119.08592	7.6
121.10161	4.8
123.08050	2.0
123.11718	4.8
125.09602	2.2
127.07522	1.7
127.11187	2.4
133.10120	7.0
135.11713	14.9
137.09627	33.1
145.85088	1.0
149.13211	2.4
151.11192	3.7
151.14783	6.8
153.12740	3.1
155.10675	32.1
165.16397	2.5
175.14847	9.7
193.15915	18.5
201.87131	1.1
211.16953	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	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03949	2.5
55.01865	3.0
55.05509	16.6
57.03424	5.6
57.07075	6.0
67.05503	17.7
69.03412	10.0
69.07052	9.9
69.91690	6.7
69.92085	3.8
71.04994	89.9
79.05495	12.8
81.03407	10.0
81.07056	51.4
83.04971	8.9
83.08604	10.1
85.06532	9.2
89.06171	2.3
91.05482	13.4
93.07043	26.0
95.04971	12.7
95.08615	33.6
97.06551	3.5
97.10159	6.6
98.20807	2.7
99.04481	11.6
99.08082	20.9
105.07036	24.1
107.07872	2.7
107.08601	43.8
109.06503	5.9
109.10155	23.2
113.06016	3.4
114.86642	2.4
117.07030	2.5
119.07776	4.6
119.08580	56.3
121.10166	14.1
123.08100	5.9
123.11713	32.4
125.09645	18.4
127.11195	2.3
131.08583	2.7
133.10132	88.6
135.11697	94.0
137.09607	11.6
139.11153	4.3
141.09109	3.3
147.11679	10.0
149.13246	4.4
151.11157	3.2
151.14885	3.0
153.12761	2.5
155.08582	5.6
155.10687	13.6
157.10236	2.4
167.14439	2.7
169.10092	7.5
175.14825	100.0
176.15262	2.9
190.62135	2.4
193.12218	5.0
193.15901	25.8
196.12466	4.9
211.07619	4.6
211.11150	3.9
211.13013	2.6
211.14839	10.8
211.16937	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	27.8
57.03422	8.1
57.07070	8.5
61.24882	2.4
65.21884	2.2
67.05508	35.2
69.03432	22.5
69.07076	25.6
70.69687	8.7
70.83670	2.5
71.05013	15.0
79.05495	15.8
81.07069	39.3
83.04990	19.5
83.08622	13.2
85.06545	12.6
91.05495	16.0
93.07058	29.0
95.04976	21.0
95.08611	65.0
97.06574	4.6
97.10187	4.2
98.21567	3.0
99.04442	5.2
99.08100	23.4
105.07038	23.3
107.08604	35.0
109.06516	22.1
109.10164	100.0
111.08065	6.9
113.09622	9.2
117.66990	2.7
119.06065	2.4
119.08578	38.3
121.10152	25.9
123.08083	21.7
123.11725	21.4
125.09647	37.6
127.07516	3.7
131.08559	3.4
133.10135	65.3
135.11700	61.0
137.05994	5.0
137.09619	18.8
137.13246	4.0
139.11203	6.4
141.09152	3.0
147.08032	3.5
147.11658	8.6
149.13286	10.6
151.11209	25.5
151.14822	11.7
153.12706	3.1
155.07042	7.6
155.10674	5.3
163.14760	3.4
165.16412	13.6
169.09921	2.6
175.14838	34.6
193.12213	7.6
193.15891	48.0
211.16940	23.4
211.72267	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	211.133
Annotation	(plusmn)7-epi Jasmonic Acid
Peak:m/z	Relative Intensity
52.43823	0.8
53.03944	1.3
55.01869	1.2
55.05503	4.0
57.03445	1.5
57.07077	4.2
67.05512	12.9
69.03402	1.0
69.07073	21.5
71.04993	5.8
71.35817	1.3
79.05495	8.2
80.28784	0.9
81.07059	22.4
83.04993	5.2
85.06538	6.8
89.80033	0.7
91.05489	23.5
93.07050	21.5
95.04981	12.7
95.08615	5.4
97.06544	1.9
99.04491	0.9
105.07039	31.3
105.07758	1.6
107.04969	1.1
107.08600	9.4
109.05779	1.5
109.06524	24.6
109.10163	7.4
113.06002	2.1
118.97951	0.8
119.08595	7.9
120.48754	0.8
121.10140	1.8
123.08098	2.1
123.11707	3.8
125.06032	1.4
127.07566	3.2
131.08568	7.2
133.10138	100.0
134.10500	0.9
137.05991	11.0
147.11693	23.7
149.09659	2.4
151.07599	3.5
151.11192	61.9
155.07047	19.9
155.08192	0.7
157.10147	1.9
162.69806	0.8
165.12737	5.1
169.08612	1.1
175.11192	8.6
193.12257	23.2
211.13290	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	211.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04977	0.6
53.03941	1.0
55.01867	2.0
55.05514	10.6
55.74625	0.6
57.03431	1.0
57.07074	1.7
59.05018	1.5
65.03948	1.0
67.05509	20.7
69.03432	1.5
69.07061	6.1
70.06594	0.9
70.87330	1.5
71.05008	5.0
79.05498	6.2
81.07062	13.7
83.04990	6.5
83.08617	4.0
84.69128	0.6
85.02885	0.9
85.06554	2.5
90.47550	0.6
91.05486	9.4
93.07049	10.3
95.04976	100.0
95.08615	15.4
96.05288	1.1
97.06554	1.9
99.04459	5.2
99.08102	31.1
99.08753	1.5
101.06030	2.0
105.07030	9.5
107.08594	8.6
109.06531	6.3
109.10165	27.3
109.10923	1.4
110.10489	0.8
111.08118	1.6
113.06026	1.1
113.09641	1.2
117.07066	1.1
117.37788	0.7
119.08584	13.4
121.10155	2.6
123.04443	1.1
123.08083	2.6
123.11709	2.9
125.09645	1.6
127.07569	0.8
129.07065	1.1
131.08575	2.3
133.10144	21.3
135.06587	0.7
135.11716	6.8
137.06015	2.3
137.09628	43.1
147.08075	5.3
147.11707	4.5
149.13234	1.3
151.07552	1.5
151.10172	0.9
151.11212	7.9
151.14838	1.1
153.09114	0.6
155.05023	1.1
155.07106	1.2
155.08723	1.1
155.10675	22.5
165.09163	2.3
165.12766	1.4
169.10152	0.7
175.11217	1.8
175.14865	4.4
183.08015	0.9
193.08688	1.5
193.12267	2.5
193.15921	10.6
194.91295	0.7
196.08861	0.8
210.54311	0.8
211.03941	1.3
211.07616	1.7
211.09695	6.4
211.11414	1.1
211.13300	2.7
211.16927	15.4
212.17332	0.9
224.19238	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	(plusmn)7-epi Jasmonic Acid
Peak:m/z	Relative Intensity
51.25791	0.6
53.03949	1.3
53.34420	0.7
53.40776	0.6
55.01862	1.2
55.05515	7.2
57.03439	2.4
57.07081	4.3
65.03954	1.0
67.05170	1.3
67.05510	19.7
67.26339	0.7
69.03435	2.1
69.07072	23.3
71.05001	7.6
71.08601	0.8
71.35534	1.4
79.05499	12.0
81.03420	1.7
81.06580	1.2
81.07063	24.7
83.04989	7.6
83.08614	2.4
85.02897	1.1
85.06547	6.2
87.67368	0.7
91.05489	28.5
93.07051	26.8
95.04976	36.5
95.08612	10.1
96.05313	1.1
97.06533	2.2
99.04450	2.0
99.08100	8.5
105.07040	32.8
107.04952	1.3
107.08601	12.1
109.06528	25.6
109.10161	18.0
110.99155	0.8
111.08095	1.5
113.06016	3.9
114.07300	0.9
115.05402	0.8
116.02620	0.8
117.07051	1.5
119.08596	11.1
121.06533	0.9
121.10180	4.2
123.04433	1.7
123.08106	4.2
123.11697	6.1
123.52222	0.8
125.06014	1.9
125.09623	1.3
127.07578	2.4
129.07004	1.3
131.08583	9.3
133.10144	100.0
134.10501	1.0
135.08104	1.4
135.11719	2.0
137.05986	10.2
137.09633	13.7
147.08092	1.4
147.11700	22.1
149.09639	3.9
149.13290	1.3
151.07600	3.7
151.11201	60.3
155.07056	17.7
155.08449	1.4
155.10692	5.1
157.10143	2.1
165.05525	0.8
165.12759	5.2
175.11229	8.1
175.14883	1.1
193.05005	0.7
193.08711	0.8
193.12294	21.9
193.15984	3.9
211.07863	1.1
211.09627	1.3
211.11314	0.9
211.13332	14.6
211.16917	5.0
212.13860	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.3
56.96570	2.1
57.79533	0.3
62.06071	0.4
67.05501	0.4
69.03430	0.9
69.07062	0.7
70.22701	1.1
72.04516	1.4
79.05503	2.4
81.03404	0.5
85.02912	0.5
89.67056	0.2
91.05482	4.4
93.07048	0.8
95.04972	0.5
97.02914	0.4
98.20815	0.4
98.97598	1.1
99.39601	0.3
103.05470	6.0
105.07030	7.0
107.04952	2.6
107.51575	0.2
109.06531	0.3
111.04473	0.5
115.05508	0.3
116.98640	0.6
117.05773	1.8
117.07018	2.4
118.05085	0.3
118.06544	4.2
119.01888	0.3
119.07333	6.4
119.08595	1.1
120.08117	7.8
121.06493	0.3
122.06039	0.7
123.04423	0.3
128.06198	0.8
128.98633	0.4
129.07001	5.9
129.07916	0.5
130.06546	0.8
131.04932	1.9
131.07277	1.7
134.99704	0.4
135.04510	0.3
136.07549	0.5
136.39082	0.3
137.05882	0.3
143.00096	0.3
144.08102	1.3
146.06003	0.8
146.09650	7.0
146.56331	0.3
149.06007	0.4
150.05450	0.6
155.04716	0.3
157.03378	0.3
161.01242	0.3
164.10718	100.0
165.05530	0.3
165.11058	1.2
186.96765	0.3
187.02811	0.5
187.04436	0.7
192.06532	0.4
192.10257	0.6
205.03755	0.3
205.98788	0.5
210.04749	0.4
210.07622	1.2
210.09279	0.6
210.11261	12.2
210.15372	0.5
211.02370	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1899
Annotation	(-)-Noranthoplone
Peak:m/z	Relative Intensity
52.22002	2.5
53.03939	4.9
55.01871	13.1
55.05258	3.8
55.05511	57.9
55.60147	2.2
55.94799	1.9
57.03424	8.0
57.07087	16.5
67.05165	2.8
67.05508	39.0
69.03439	2.7
69.07071	100.0
71.01334	2.1
71.04979	7.9
71.08633	5.6
71.14681	4.6
79.05496	33.2
79.58434	2.3
81.03418	3.6
81.07060	56.6
81.66061	2.2
83.04976	10.6
83.08623	44.1
85.06544	8.9
85.10178	2.6
89.03882	3.2
91.05485	12.6
93.07049	44.5
95.04971	14.6
95.08050	3.6
95.08611	49.2
97.06538	17.2
97.10166	27.5
99.08107	7.6
103.05470	6.3
105.07027	5.2
107.04926	4.9
107.08594	36.5
109.06518	8.9
109.10165	41.1
111.04432	5.1
111.08080	13.4
111.11728	10.9
117.95983	6.5
118.96785	2.4
119.08575	3.8
121.06503	8.3
121.10146	38.1
123.08141	2.6
123.11681	10.7
125.09643	6.7
131.04916	3.3
131.08554	2.1
133.10168	3.5
135.08041	6.0
135.11693	40.9
135.97008	5.0
137.13164	3.8
139.11214	2.9
145.02840	2.4
145.10141	2.4
147.04445	2.8
149.05989	5.3
149.09660	7.3
149.13255	20.0
151.11156	3.3
152.01601	2.3
153.09152	5.0
163.11192	5.4
163.14786	3.9
165.12856	2.7
166.07729	2.6
167.14275	3.5
168.67520	2.1
173.13289	3.2
177.05409	11.1
179.08560	3.6
181.10240	3.1
191.07024	4.2
191.14311	4.3
191.17969	43.4
194.02026	11.7
194.10873	4.4
197.23811	2.3
209.04407	14.5
209.08026	5.8
209.09634	6.0
209.11714	4.9
209.13295	12.0
209.15385	29.7
209.19003	50.4
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
55.05513	0.9
57.07075	0.8
59.05020	0.5
63.56869	0.3
65.03948	0.9
67.05515	2.4
69.03431	0.5
69.07068	1.2
70.03616	1.5
70.06685	0.4
71.04995	5.6
74.91092	0.3
79.05501	1.4
81.07059	2.5
83.04983	1.3
83.08619	0.4
85.06546	1.9
91.05476	1.2
93.07059	2.7
95.04973	100.0
95.08611	1.3
95.16787	0.3
96.05306	0.6
97.06533	1.1
99.04459	18.5
99.08110	0.7
105.07030	1.9
107.08597	3.9
108.93033	0.3
109.06527	3.5
109.10157	1.5
111.08092	1.3
117.07030	0.5
119.08600	1.0
121.06502	0.6
121.10137	2.7
123.08039	0.7
123.11709	0.7
125.09629	1.8
131.08574	1.1
133.10126	6.2
135.08055	2.5
135.11731	0.6
139.11212	1.0
145.02852	0.3
145.10123	0.8
147.11679	0.7
149.09639	1.0
149.13261	1.3
151.11192	2.9
153.09111	24.5
158.10919	0.5
161.53867	0.3
163.11171	0.6
163.14838	1.4
165.12737	0.7
167.14279	0.5
173.13254	4.3
177.05492	0.7
191.14284	5.9
194.02135	0.4
209.04416	0.6
209.15364	12.9
209.17358	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
50.00621	0.9
53.03943	2.5
55.01876	2.7
55.05515	64.4
56.50537	0.9
57.03437	1.6
57.07066	1.0
59.04995	3.1
61.74607	0.9
64.79985	1.0
65.03925	1.2
67.05511	9.3
69.03438	6.7
69.07084	4.8
69.73799	3.8
69.74209	1.6
71.05001	8.2
75.65303	0.8
79.05495	2.9
81.07069	10.0
82.06597	1.5
83.04987	82.5
83.08134	2.1
83.08627	36.5
83.29883	1.1
85.06532	3.1
91.05473	2.8
93.07051	8.9
95.04977	100.0
95.08615	6.3
97.06570	5.4
97.10177	6.8
99.04462	15.2
99.08083	2.1
100.11285	3.7
105.07041	4.4
107.08600	15.0
109.06525	4.6
109.10169	17.1
111.08092	10.4
113.09666	2.3
119.08617	1.7
121.10128	6.5
123.11710	10.9
123.65008	1.1
125.09639	11.3
131.08601	1.6
133.10150	8.8
147.11664	1.6
149.09647	1.9
149.13255	7.5
151.11197	33.9
153.09109	20.9
167.14331	64.9
173.13330	3.0
182.15373	1.9
191.14313	3.5
209.15332	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	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
54.13654	1.1
54.51004	0.9
55.05521	5.1
57.03452	5.1
57.03673	0.9
57.07095	1.0
59.05007	1.9
67.05513	5.5
69.03439	1.1
69.07071	4.4
69.22620	9.7
69.23020	1.9
71.05001	12.8
79.05521	5.3
81.07063	10.3
83.04997	4.9
83.08642	4.8
85.06541	2.6
91.05480	5.1
93.07064	10.3
95.04978	100.0
95.08621	10.0
97.06542	11.3
99.04469	22.1
99.08099	1.6
105.07033	8.5
107.08614	16.4
109.06535	31.4
109.10164	10.5
111.08087	4.9
115.07606	1.3
117.07013	1.6
119.08620	4.8
121.06532	1.8
121.10169	14.2
123.08083	5.6
123.11706	2.8
125.09653	4.1
131.08524	5.2
133.10146	21.8
133.11079	2.0
135.08051	8.5
135.11726	3.4
139.11203	3.0
145.10181	3.3
147.11699	3.1
149.09631	3.4
149.13251	5.8
151.11214	13.1
153.09119	37.6
158.10898	1.9
163.14873	3.4
165.12793	2.3
167.14326	1.8
173.13275	13.7
191.14333	31.5
209.15387	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03950	0.6
55.05516	4.9
57.03431	1.8
57.07072	0.7
59.04994	0.8
63.23405	0.6
65.03947	1.6
67.05508	18.3
69.03426	2.5
69.07079	5.3
70.90996	1.3
71.04993	4.7
79.05505	4.0
80.54669	0.6
81.07062	6.3
83.04975	4.2
83.08612	1.7
85.06545	1.4
91.05477	3.0
91.93467	0.6
93.07057	9.3
95.04976	25.0
95.08608	8.2
97.06536	2.2
99.04456	4.0
99.08082	1.0
101.05978	0.7
105.07050	4.2
107.04939	1.5
107.08602	21.0
109.06518	4.2
109.10155	11.0
111.08077	1.6
117.07006	0.9
119.08616	3.8
121.06489	2.0
121.09302	1.2
121.10150	17.7
123.08086	4.3
123.11726	2.0
125.09650	2.7
129.06975	0.8
131.08568	3.6
133.10123	8.4
135.08037	4.9
135.11670	5.6
136.08716	0.6
137.09627	6.2
139.11154	1.7
141.35315	0.7
143.08499	1.0
144.09373	0.7
145.10124	2.1
147.11697	4.9
149.09621	11.7
149.13268	9.7
151.11201	14.8
153.09129	5.5
156.52705	0.6
158.10918	2.3
161.09572	0.6
163.14825	7.8
165.12782	2.4
167.10652	1.2
173.13289	9.1
176.11992	1.6
191.06963	0.7
191.14322	26.4
209.04318	0.7
209.15379	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.83424	1.8
53.03955	2.4
55.01877	4.4
55.05518	17.9
57.03436	4.5
57.07070	4.6
59.05003	4.0
67.05504	19.1
69.03419	7.5
69.07072	32.1
71.05000	15.2
75.39405	1.8
75.67625	2.1
76.96132	1.8
79.05495	18.3
81.03391	1.8
81.07063	27.2
83.01334	2.9
83.04959	9.2
83.08622	11.2
85.06543	5.5
91.05489	16.8
93.06475	3.2
93.07046	42.3
95.04977	94.3
95.08608	36.8
97.02870	2.5
97.06532	10.7
99.04462	20.9
99.08086	3.6
103.05441	2.2
105.07041	24.5
105.88856	1.9
107.05000	3.7
107.08602	58.5
109.06528	19.9
109.10172	32.5
111.08071	11.9
113.09667	2.1
117.07049	3.8
119.08571	11.9
121.06501	5.8
121.10154	47.8
121.11021	2.7
123.08100	13.6
123.11697	9.5
125.05988	2.7
125.09621	8.6
127.07609	2.5
127.77676	1.9
128.06201	1.9
129.06993	3.2
131.08572	27.4
133.10136	100.0
135.08060	21.7
135.11696	18.4
137.09618	35.1
137.13283	5.7
139.07542	7.2
139.11189	7.0
143.08630	4.1
145.06525	2.1
145.10146	13.5
147.11694	10.1
149.09624	63.2
149.13274	43.9
151.11188	34.8
153.09116	25.3
158.10909	8.9
161.09587	3.1
163.11218	6.9
163.14844	16.0
165.12796	13.8
167.10716	3.2
173.13264	59.2
181.15758	2.3
191.07039	2.6
191.10690	5.8
191.14313	64.7
202.06331	2.1
209.04564	2.3
209.08070	2.8
209.11928	4.4
209.13438	4.1
209.15392	76.9
211.15347	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.37740	1.3
55.05300	1.3
55.05517	15.4
55.44702	1.2
57.03424	2.0
57.07069	2.6
59.05002	2.1
65.03941	1.4
67.05512	5.1
69.03445	6.2
69.07064	6.6
70.69172	1.4
70.69517	2.9
71.05000	9.8
79.05482	3.9
81.07066	8.4
83.04991	15.8
83.08634	7.3
85.06545	4.5
89.28764	1.3
91.05476	3.8
93.07045	11.1
95.04978	100.0
95.08614	7.2
97.06537	5.4
97.10172	4.8
99.04468	19.5
99.08102	4.3
105.07037	6.7
107.05005	1.3
107.08604	16.1
109.06525	13.6
109.10180	8.7
111.08092	4.8
113.05991	1.8
115.07486	1.3
117.06987	2.1
119.08587	3.7
121.06512	1.5
121.10149	15.7
123.08061	3.4
123.11701	4.2
125.09628	15.9
131.08557	4.9
133.10162	12.4
135.08084	7.1
135.11697	3.1
139.11269	2.8
145.10138	1.5
147.11681	3.9
149.09650	14.4
149.13272	6.6
149.20248	1.3
151.09987	1.6
151.11186	19.4
153.09109	26.7
158.10869	1.6
163.11128	1.4
163.14873	3.2
167.10640	1.6
167.14348	13.8
173.13275	5.8
186.96001	1.7
191.14331	15.5
209.04503	1.4
209.15376	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.05502	0.8
65.03944	0.9
67.05505	2.7
69.07066	0.9
69.95683	0.5
70.91194	1.0
71.05004	8.4
77.70366	0.5
79.05510	0.6
81.07066	2.8
85.06532	1.5
87.64672	0.5
91.05468	0.9
92.20733	0.5
93.07050	2.6
95.04975	100.0
95.08620	1.3
97.06531	1.3
99.04462	16.3
99.08131	0.7
105.07034	2.3
107.08581	3.2
109.06543	2.3
109.10170	2.2
111.08083	1.2
115.07594	0.5
119.08595	1.8
121.10184	1.6
121.77066	0.5
125.09641	0.6
131.08592	2.2
133.10156	6.9
135.08049	1.5
139.11159	1.1
149.13289	2.2
151.11195	2.5
153.09113	23.5
158.11006	0.7
163.14861	0.6
173.13306	4.5
191.14351	3.4
192.39969	0.6
197.76923	0.5
209.15379	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	209.1536
Annotation	Prosopidione
Peak:m/z	Relative Intensity
51.39246	0.5
55.01873	1.1
55.05513	6.5
57.07079	1.3
59.04995	1.0
63.74353	0.5
64.03305	0.6
65.03931	0.8
67.05510	2.7
69.03429	1.5
69.07069	1.3
70.70017	1.4
70.70339	0.6
70.83373	0.5
71.04993	6.5
76.34617	0.5
79.05494	1.8
81.07058	2.7
82.03686	0.6
83.04990	9.5
83.08638	2.8
85.06555	1.8
91.05471	1.7
93.07054	3.4
95.04976	100.0
95.08624	1.8
96.05319	0.6
97.06529	1.4
97.10167	0.7
99.04461	19.9
99.05108	1.2
105.07039	1.4
107.08598	3.9
109.06524	6.5
109.10159	3.1
111.08077	2.1
119.08592	0.8
121.10171	2.3
123.08104	1.1
123.11745	1.7
125.09628	1.6
131.08597	1.4
133.10130	5.4
135.08073	2.5
135.11725	1.1
145.10217	0.9
149.09622	1.6
149.13300	1.6
151.11185	5.5
153.09116	23.4
153.10344	1.2
167.14351	6.4
173.13286	4.1
191.14305	4.5
209.13496	0.5
209.15358	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.91209	0.4
55.05507	0.6
67.05499	2.0
68.18333	0.5
69.07057	0.6
70.53626	1.5
71.04994	6.7
79.05493	1.6
81.07062	3.5
83.04980	1.0
83.08614	0.5
85.06536	1.0
91.05484	1.6
93.07050	3.9
95.04973	100.0
95.08620	1.6
97.06533	1.9
99.04459	17.5
99.08123	1.6
105.07040	2.3
107.08600	5.3
109.06537	2.8
109.10147	1.6
111.08091	0.7
115.07585	0.9
119.08596	2.2
121.06496	0.6
121.10136	2.3
123.11746	1.0
125.09648	0.7
131.08582	2.3
133.10135	12.3
135.08078	2.0
139.11186	2.1
145.10127	1.0
147.11697	0.7
149.09654	1.3
149.13248	2.7
151.11188	4.8
153.09114	25.4
155.25732	0.6
163.11275	0.8
163.14784	0.9
173.13278	4.4
191.14349	3.3
209.11858	1.1
209.15378	11.4
217.73734	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.5
55.05515	1.6
57.03430	0.3
57.07080	1.1
59.05011	0.6
65.03942	0.9
67.05511	2.9
69.03435	1.5
69.07076	1.3
69.89478	1.7
71.05000	7.6
79.05499	1.4
81.07062	3.4
83.04986	2.4
83.08643	0.9
85.06555	1.3
91.05480	1.3
93.07046	3.2
95.04980	100.0
95.08631	2.4
96.05295	0.6
96.14692	0.3
97.06538	1.6
97.42924	0.3
99.04466	19.4
99.08121	0.9
105.06360	0.3
105.07030	1.6
107.08608	3.8
109.06531	6.0
109.10173	2.5
111.08101	1.9
115.07617	0.8
117.07036	0.5
119.08588	2.3
121.06550	0.4
121.10152	2.8
123.08093	0.8
123.11750	1.1
125.06041	0.5
125.09647	3.2
131.08589	1.6
133.10147	6.6
135.08058	3.1
135.11699	0.6
139.11208	1.2
140.04939	0.3
140.68033	0.3
145.10114	1.0
147.11694	1.2
149.09642	1.1
149.13260	2.0
151.11211	3.1
153.09122	21.3
157.19864	0.3
158.10892	0.4
163.11188	0.4
163.14893	1.3
165.12823	0.8
166.45230	0.3
167.10860	0.3
167.14307	0.9
173.13290	3.7
177.05432	0.5
181.50748	0.3
191.14319	7.6
209.04239	0.3
209.06190	0.3
209.15401	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.05504	4.6
57.03430	2.6
59.05006	1.7
65.03954	1.8
65.70569	1.5
67.05506	6.4
69.03427	3.1
69.07079	5.7
69.45368	7.3
69.45782	2.8
71.04999	14.1
79.05499	6.5
81.07066	15.8
83.04990	3.0
83.08617	3.2
85.06541	2.2
91.05481	5.6
93.07063	11.3
95.04978	100.0
95.08613	7.5
97.06532	8.0
99.04464	16.6
99.08093	1.7
105.07030	11.5
107.08608	16.6
109.06532	23.1
109.10166	8.4
111.08073	3.3
119.08598	5.2
121.10162	14.4
123.08112	5.5
123.11722	5.6
125.09656	1.7
131.08592	11.9
133.10143	71.0
134.48911	1.0
135.08051	8.5
135.11687	3.7
139.11258	2.0
143.08595	2.1
144.09254	1.3
145.10149	5.0
147.11720	4.3
149.09628	4.3
149.13271	9.1
151.11201	23.6
153.09111	32.0
158.10927	5.3
163.11263	1.5
163.14847	6.3
167.14317	2.2
173.13289	29.2
191.14328	20.0
209.15381	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.94614	0.7
53.03938	1.5
55.01867	3.1
55.05259	1.2
55.05511	15.9
57.03426	2.4
57.07070	1.4
59.04988	1.2
65.03944	1.2
65.25390	0.6
67.05508	11.2
69.03431	3.7
69.07072	8.1
70.69497	2.0
71.04644	1.0
71.04998	13.1
79.05495	21.2
81.03420	1.6
81.07063	11.1
83.04984	22.1
83.08623	7.3
85.06543	4.9
87.04464	0.8
91.05486	12.0
93.06458	1.5
93.07043	20.7
95.04970	100.0
95.08617	4.6
97.06543	7.4
97.10163	1.0
99.04456	18.8
99.08082	1.5
104.74644	0.8
105.07035	13.1
107.04955	12.4
107.08595	26.2
109.06522	19.7
109.10151	8.2
111.04444	3.3
111.08084	5.0
113.05992	0.6
117.06984	4.1
119.08565	9.3
121.06513	10.6
121.10141	20.5
123.04410	1.7
123.08067	2.9
123.11707	2.9
125.06012	4.2
125.09586	3.7
127.07553	0.8
129.06995	3.2
131.08566	37.0
133.06531	0.7
133.10126	12.4
135.04427	0.8
135.08051	6.4
135.11685	4.0
137.06071	0.8
137.09595	1.4
139.07535	1.4
139.11201	1.1
141.05420	0.9
143.08571	1.3
145.06479	1.3
145.10121	19.7
147.08018	3.3
147.11717	2.4
149.05954	1.3
149.09624	43.1
149.13219	4.5
151.07645	0.7
151.11176	9.2
153.05508	2.6
153.09103	29.0
155.08607	1.0
163.07539	2.3
163.11174	13.2
163.14871	2.4
165.09131	7.9
167.07103	1.3
167.10710	5.5
167.14328	14.4
173.09595	5.5
173.13245	6.3
191.10678	25.5
191.14293	11.7
209.04463	1.0
209.11742	30.0
209.15341	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	209.1538
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03938	3.4
55.01862	4.3
55.05515	74.3
57.03426	2.5
57.07067	3.5
59.04998	4.2
61.64543	1.1
66.39517	1.2
67.05520	7.8
69.03435	7.7
69.07069	7.1
69.81490	6.3
69.81799	1.8
71.04997	7.0
79.05487	7.8
81.07066	14.1
83.04987	100.0
83.08140	2.0
83.08627	40.6
85.06527	3.2
91.05484	6.2
93.07047	13.2
95.04969	7.8
95.08623	6.1
97.06535	9.4
97.10174	9.1
99.08108	1.4
105.07050	6.7
107.04957	2.4
107.08598	25.5
109.06538	11.5
109.10162	22.1
111.04380	1.3
111.08089	11.8
113.09635	1.2
117.06978	2.8
119.08584	3.2
121.06528	2.6
121.10155	19.6
123.08047	1.4
123.11721	13.5
125.09638	13.0
131.08575	6.7
133.10139	6.5
135.08060	2.9
145.10097	5.0
149.09605	4.1
149.13298	8.1
151.11198	40.2
153.09116	3.8
163.11209	2.1
163.14827	3.3
167.14328	83.1
173.09528	1.1
173.13260	3.4
175.13457	1.4
189.99821	1.2
191.07118	1.1
191.10623	2.8
191.14331	3.7
194.02179	1.4
209.04422	3.3
209.08066	2.0
209.10013	1.5
209.11841	6.6
209.15367	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	209.1537
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03941	1.4
55.01870	2.7
55.05513	72.5
55.55635	1.2
59.04998	3.0
60.02711	1.4
67.05513	9.3
69.03421	6.0
69.07070	8.7
71.04981	2.6
71.12085	1.4
71.12433	2.1
77.43731	1.2
77.97069	1.3
79.05471	4.3
81.07063	12.8
83.04985	100.0
83.08624	39.7
85.06555	3.8
87.25191	1.2
90.18455	1.4
91.05483	2.8
93.07046	12.5
95.04965	14.7
95.08624	7.9
96.83727	1.2
97.06533	9.0
97.10176	8.8
99.04452	2.7
99.08116	1.3
105.07024	5.6
105.79642	1.4
107.08598	24.9
109.06530	16.0
109.10160	24.1
111.08091	10.2
113.09678	2.2
119.08551	1.6
121.10155	27.5
123.11708	13.4
125.09648	14.4
131.08589	2.1
133.10147	9.0
135.08081	2.3
147.11687	1.7
149.13287	9.8
151.11189	39.9
153.09137	6.6
156.14095	1.2
163.11137	1.4
163.14836	5.8
167.14325	86.3
173.13286	3.4
191.14313	5.5
209.15384	33.2
211.43588	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1174
Annotation	Coronafacic acid
Peak:m/z	Relative Intensity
50.46051	0.9
53.03939	1.4
55.01858	3.4
55.05513	14.9
57.03428	3.4
57.03701	0.9
57.07068	1.6
59.04995	1.6
61.39005	0.8
62.33015	0.9
65.03954	1.7
67.05509	11.1
67.23722	0.8
69.03429	3.2
69.07078	6.6
71.04998	15.7
71.08336	1.5
73.82246	0.8
77.62877	0.9
77.94133	0.8
79.05497	20.3
81.07063	11.8
83.04986	22.0
83.08621	6.0
85.06554	5.3
89.99662	0.9
91.05491	14.4
93.07044	19.9
95.04974	100.0
95.08609	4.8
97.06538	7.0
97.10144	1.4
99.04455	16.0
99.08065	1.6
103.05479	1.1
105.07038	13.7
107.04959	13.6
107.08599	29.7
109.06527	16.3
109.10169	8.6
111.04420	2.3
111.08080	4.2
112.75639	0.9
117.07022	5.3
119.08584	8.4
121.06514	13.2
121.10151	19.9
123.04431	2.6
123.08022	4.3
123.11697	2.9
125.05991	5.9
125.09618	4.4
129.07014	4.1
130.07800	1.4
131.08574	39.6
133.10147	11.0
135.04411	1.0
135.08066	5.1
135.11679	3.9
139.07486	1.3
139.11203	1.3
143.08502	1.3
145.06502	0.9
145.10129	20.1
147.08035	3.3
147.11693	2.5
149.05992	1.8
149.09631	44.6
149.13263	3.5
151.11176	10.4
152.20752	0.9
153.05479	2.8
153.09113	28.4
153.42262	0.8
155.18170	0.8
158.10835	1.0
163.07565	4.1
163.11192	17.2
163.14816	1.8
165.09091	7.8
167.07013	1.9
167.10678	6.2
167.14320	13.2
173.09685	3.6
173.13324	6.9
191.10690	24.6
191.14325	12.9
209.09764	1.6
209.11748	32.1
209.15321	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.42084	0.7
52.01354	0.7
55.05515	3.5
57.03432	1.2
57.07077	1.1
59.04991	1.1
65.03930	0.9
67.05512	3.2
69.03429	2.0
69.07072	2.8
70.73621	1.2
70.74020	1.3
71.04997	7.3
78.59766	0.7
79.05500	2.2
81.07056	4.0
83.04987	7.3
83.08613	1.2
85.06544	2.3
91.05499	2.9
93.07045	7.4
95.04975	100.0
95.08598	3.4
97.06560	3.2
99.04460	18.6
99.08090	1.2
105.07057	3.8
107.08604	9.7
109.06519	11.1
109.10167	5.1
111.08100	2.0
115.07637	0.8
119.08620	2.1
121.10158	7.2
123.08050	1.5
123.11736	1.1
125.09626	3.2
127.07545	2.2
131.08595	2.2
133.10139	11.8
135.08080	4.0
135.11688	4.5
137.09596	0.7
139.07480	0.9
139.11174	1.1
145.10201	0.8
147.11700	1.6
149.09615	4.0
149.13254	4.1
149.74876	0.7
151.11169	5.7
153.09116	21.4
154.74414	0.7
163.14867	2.7
167.14294	1.1
173.13268	4.7
191.14311	6.1
209.11816	0.7
209.15375	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	209.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46051	0.9
53.03939	1.4
55.01858	3.4
55.05513	14.9
57.03428	3.4
57.03701	0.9
57.07068	1.6
59.04995	1.6
61.39005	0.8
62.33015	0.9
65.03954	1.7
67.05509	11.1
67.23722	0.8
69.03429	3.2
69.07078	6.6
71.04998	15.7
71.08336	1.5
73.82246	0.8
77.62877	0.9
77.94133	0.8
79.05497	20.3
81.07063	11.8
83.04986	22.0
83.08621	6.0
85.06554	5.3
89.99662	0.9
91.05491	14.4
93.07044	19.9
95.04974	100.0
95.08609	4.8
97.06538	7.0
97.10144	1.4
99.04455	16.0
99.08065	1.6
103.05479	1.1
105.07038	13.7
107.04959	13.6
107.08599	29.7
109.06527	16.3
109.10169	8.6
111.04420	2.3
111.08080	4.2
112.75639	0.9
117.07022	5.3
119.08584	8.4
121.06514	13.2
121.10151	19.9
123.04431	2.6
123.08022	4.3
123.11697	2.9
125.05991	5.9
125.09618	4.4
129.07014	4.1
130.07800	1.4
131.08574	39.6
133.10147	11.0
135.04411	1.0
135.08066	5.1
135.11679	3.9
139.07486	1.3
139.11203	1.3
143.08502	1.3
145.06502	0.9
145.10129	20.1
147.08035	3.3
147.11693	2.5
149.05992	1.8
149.09631	44.6
149.13263	3.5
151.11176	10.4
152.20752	0.9
153.05479	2.8
153.09113	28.4
153.42262	0.8
155.18170	0.8
158.10835	1.0
163.07565	4.1
163.11192	17.2
163.14816	1.8
165.09091	7.8
167.07013	1.9
167.10678	6.2
167.14320	13.2
173.09685	3.6
173.13324	6.9
191.10690	24.6
191.14325	12.9
209.09764	1.6
209.11748	32.1
209.15321	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	209.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46051	0.9
53.03939	1.4
55.01858	3.4
55.05513	14.9
57.03428	3.4
57.03701	0.9
57.07068	1.6
59.04995	1.6
61.39005	0.8
62.33015	0.9
65.03954	1.7
67.05509	11.1
67.23722	0.8
69.03429	3.2
69.07078	6.6
71.04998	15.7
71.08336	1.5
73.82246	0.8
77.62877	0.9
77.94133	0.8
79.05497	20.3
81.07063	11.8
83.04986	22.0
83.08621	6.0
85.06554	5.3
89.99662	0.9
91.05491	14.4
93.07044	19.9
95.04974	100.0
95.08609	4.8
97.06538	7.0
97.10144	1.4
99.04455	16.0
99.08065	1.6
103.05479	1.1
105.07038	13.7
107.04959	13.6
107.08599	29.7
109.06527	16.3
109.10169	8.6
111.04420	2.3
111.08080	4.2
112.75639	0.9
117.07022	5.3
119.08584	8.4
121.06514	13.2
121.10151	19.9
123.04431	2.6
123.08022	4.3
123.11697	2.9
125.05991	5.9
125.09618	4.4
129.07014	4.1
130.07800	1.4
131.08574	39.6
133.10147	11.0
135.04411	1.0
135.08066	5.1
135.11679	3.9
139.07486	1.3
139.11203	1.3
143.08502	1.3
145.06502	0.9
145.10129	20.1
147.08035	3.3
147.11693	2.5
149.05992	1.8
149.09631	44.6
149.13263	3.5
151.11176	10.4
152.20752	0.9
153.05479	2.8
153.09113	28.4
153.42262	0.8
155.18170	0.8
158.10835	1.0
163.07565	4.1
163.11192	17.2
163.14816	1.8
165.09091	7.8
167.07013	1.9
167.10678	6.2
167.14320	13.2
173.09685	3.6
173.13324	6.9
191.10690	24.6
191.14325	12.9
209.09764	1.6
209.11748	32.1
209.15321	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	209.1174
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
51.02372	3.1
53.03940	5.0
55.01877	20.2
55.05517	21.5
57.03429	7.6
57.07065	10.8
65.03949	3.5
67.05224	2.9
67.05508	36.6
67.06047	2.7
69.03423	6.2
69.07070	17.1
71.04986	7.6
72.04523	3.1
74.76173	3.4
79.05499	41.6
81.03431	23.0
81.07062	40.3
83.04974	15.3
83.08614	9.0
85.02898	3.3
85.06530	5.7
89.03954	3.7
91.04969	3.6
91.05489	53.3
93.07054	49.3
95.04977	26.7
95.08607	27.6
97.02888	3.0
97.06535	9.7
98.21511	8.4
99.04447	7.6
103.05493	6.4
105.07045	19.6
107.04960	9.7
107.08604	46.0
107.64019	3.1
109.06524	29.3
109.10155	11.0
111.04488	5.4
111.08067	6.8
115.05379	3.1
117.03388	3.7
117.07027	28.3
117.95960	6.7
118.96751	3.7
119.08582	41.8
121.06549	13.8
121.10165	27.8
123.08073	8.2
123.11726	4.5
125.06036	3.5
125.09608	7.0
129.06998	11.4
131.08583	38.0
133.10141	12.6
135.08064	13.3
135.11719	29.5
139.07578	3.0
145.02820	4.6
145.10133	53.1
147.08072	6.8
149.05995	9.0
149.09624	13.0
149.13283	8.7
151.11185	4.7
152.06187	4.0
153.05466	6.6
153.06929	7.5
153.09119	9.4
163.07614	3.4
163.11198	100.0
164.11375	3.1
165.07028	6.8
166.07693	5.0
167.08530	6.5
167.14328	4.2
173.09630	12.2
173.13243	8.4
177.05478	10.5
179.08601	9.9
181.10139	7.6
181.17764	4.0
182.58142	2.7
185.97656	3.1
191.07010	5.3
191.10664	18.5
191.14317	11.3
194.02098	15.7
194.10886	7.9
209.04321	16.7
209.06075	8.1
209.08087	7.0
209.09636	12.3
209.11682	9.8
209.13298	16.4
209.15379	36.7
216.03383	2.8
229.83022	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02382	1.1
53.03952	8.4
55.01878	2.1
55.05513	8.8
65.03954	1.9
67.05511	29.9
69.02230	0.8
69.07079	8.8
69.33650	7.7
70.22370	0.9
71.04990	2.0
77.03929	1.6
79.05502	49.2
81.03442	2.0
81.07068	22.5
83.04996	6.2
83.08636	2.0
85.06551	3.9
87.04474	1.2
91.05490	58.5
93.07052	100.0
95.04976	18.5
95.08625	11.8
97.06551	2.5
97.10156	1.8
105.04529	3.5
105.07041	27.3
107.04962	1.5
107.08604	13.3
109.06538	5.2
109.10175	2.0
111.08101	1.9
117.07021	4.7
119.08589	18.9
121.06505	3.0
121.10156	4.3
123.08088	5.2
123.11678	1.5
125.89920	0.8
127.07578	0.9
128.06236	1.3
129.06999	8.9
131.08611	2.1
133.06477	1.0
133.10118	8.0
135.11729	1.3
137.09641	0.9
143.08588	5.3
145.10152	8.8
147.08046	1.6
147.11702	59.0
149.09695	1.1
151.07574	1.7
156.09270	1.0
161.09628	5.3
161.13257	9.8
163.11267	1.2
171.11697	22.0
189.12785	12.7
189.16464	1.0
192.11351	1.0
207.06473	1.2
207.11908	1.7
207.13815	27.4
207.17334	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1382
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02376	1.4
53.03953	8.5
55.01868	2.3
55.05518	9.3
55.95242	0.6
57.03449	0.9
57.07094	0.6
59.04997	0.6
64.68510	0.5
65.03944	2.3
65.06562	0.6
67.05512	29.1
69.03441	0.8
69.07076	7.4
69.43698	3.9
71.05001	2.8
73.06553	1.5
77.03934	2.1
78.04702	0.5
79.05502	52.7
81.03428	5.0
81.07063	28.0
83.04989	3.8
83.08629	2.6
84.63009	0.5
85.06551	3.4
91.04889	1.2
91.05488	58.6
93.07052	100.0
95.04977	20.3
95.08613	9.2
97.06539	2.3
97.10169	1.6
99.04446	0.6
101.06030	0.5
103.05460	0.7
105.04514	2.8
105.07040	35.8
107.04958	4.6
107.08600	13.5
109.02904	1.2
109.06537	5.0
109.10166	2.2
111.08119	1.0
115.05481	1.2
115.96478	0.5
117.07018	5.8
119.08589	22.5
121.06492	2.5
121.10136	3.1
123.04475	0.5
123.08070	3.8
123.11732	0.7
127.07571	1.2
128.06227	1.6
129.07019	10.7
130.07854	0.9
131.08588	1.9
133.06529	0.6
133.10143	9.2
135.11719	1.0
137.09604	1.0
143.08575	8.3
145.10136	9.6
147.08046	3.1
147.11697	68.1
148.12077	0.5
149.09564	0.9
151.07568	1.5
161.09639	6.0
161.13274	11.1
163.11145	1.0
165.09181	1.4
171.11713	21.7
189.09140	1.8
189.12769	14.0
189.16414	0.9
202.28040	0.5
207.10092	1.5
207.13820	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03945	3.0
54.47874	1.8
55.01873	4.8
55.05509	10.2
57.03428	4.5
57.07079	3.7
59.04987	2.2
60.97691	1.8
62.11496	2.0
62.61561	1.8
67.05510	12.8
69.03420	6.5
69.07075	18.9
71.04982	7.3
71.56255	2.4
79.05485	15.1
81.07073	23.4
83.04987	15.5
83.08624	2.4
85.02917	25.4
85.06528	5.9
89.72764	2.0
91.05486	20.4
93.07055	20.5
95.04966	12.9
95.08607	17.4
97.06104	1.5
97.06548	17.6
99.04456	5.5
99.08096	2.2
99.30319	1.9
105.06389	2.4
105.07041	35.4
107.04976	2.6
107.08600	33.1
109.06531	69.2
109.10155	12.8
111.08095	21.2
113.06015	1.8
117.07019	5.4
119.04953	2.8
119.08590	38.4
121.06503	5.8
121.10152	38.9
123.04391	3.8
123.08087	23.1
123.11713	19.4
125.06013	3.9
125.09607	3.6
129.06987	1.8
131.08551	8.9
133.06506	5.5
133.10138	24.9
135.08064	10.0
135.11723	4.2
137.05969	4.9
137.09634	15.5
137.13246	5.4
143.08537	5.2
145.06461	2.4
145.10095	9.0
146.07240	2.2
147.08034	18.5
147.10477	3.3
147.11691	66.1
149.09622	44.1
149.13266	2.3
151.07542	18.3
151.11171	4.4
156.09352	8.1
159.08049	8.1
160.08818	4.8
161.09631	18.1
161.13272	30.8
163.11226	5.9
165.09100	8.2
165.12779	67.5
171.11699	15.4
174.10419	37.5
179.10696	2.4
179.14349	4.6
189.09085	5.3
189.12762	73.2
189.16371	7.0
197.11661	1.9
207.06531	7.5
207.10150	6.4
207.13806	100.0
207.17424	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	207.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	0.9
55.05509	2.5
56.65697	0.8
57.07060	2.2
59.05003	1.7
65.03928	0.8
66.61644	0.7
67.05503	7.8
69.03430	1.8
69.07060	2.0
70.67822	0.8
70.68146	1.9
71.04985	1.5
78.51016	0.7
79.05505	5.5
81.07058	16.4
83.04984	1.5
83.08570	0.8
85.02908	100.0
85.06545	1.0
91.05486	8.5
93.07060	7.1
95.04959	2.6
95.08607	5.7
97.06538	1.1
103.05481	1.0
105.07037	13.9
107.04971	0.9
107.08616	6.4
109.06516	4.4
109.08498	1.0
109.10162	15.8
111.04442	1.4
119.04942	1.8
119.08590	15.2
121.06501	1.0
121.10153	12.2
123.04396	1.1
123.08078	4.0
123.11716	62.6
124.12064	0.8
125.06003	10.0
128.06189	1.0
129.07010	1.9
131.08566	3.7
133.10178	1.4
137.06009	1.5
137.09552	1.6
139.07564	0.9
141.05530	1.2
143.08578	2.3
145.06494	1.2
145.10141	6.6
147.04393	1.4
147.08072	5.8
147.11694	15.7
149.09625	15.9
151.07562	4.9
151.09480	2.2
156.09341	3.1
160.57590	0.8
161.02347	1.0
161.05974	2.4
161.09592	2.1
161.13243	2.2
163.11153	2.0
165.12762	2.7
169.08446	0.9
171.11716	2.8
174.10455	2.1
175.03856	1.3
179.09015	6.3
189.12741	11.2
192.04280	0.9
207.06657	1.3
207.08458	5.0
207.13811	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	207.1382
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
52.54084	2.6
53.03941	3.1
55.01854	4.0
55.05515	19.2
57.03426	8.0
59.04982	3.5
67.05508	12.6
69.03427	10.3
69.07063	20.9
69.60442	8.2
69.60876	10.4
71.04982	9.9
79.05492	15.8
81.07066	24.8
83.04974	21.2
83.08600	4.2
85.02907	35.6
85.06526	2.9
91.05487	17.0
92.41842	2.3
93.07062	25.8
95.04971	13.0
95.08606	21.3
97.06533	17.1
99.04455	3.3
99.08083	11.0
101.00864	7.1
105.07044	40.9
107.08608	34.0
109.06527	79.0
109.10164	19.2
111.04459	4.5
111.08095	18.5
117.07015	5.3
119.01940	8.7
119.08584	49.6
121.06525	4.7
121.10159	49.7
123.04353	3.8
123.08080	28.5
123.11698	28.0
125.09634	5.2
131.08554	4.3
133.06519	5.0
133.10144	27.7
135.08046	10.6
135.11659	9.6
137.06003	6.5
137.09633	24.6
137.13249	5.7
143.01932	22.4
143.08549	4.0
144.01959	3.7
145.10101	6.7
147.08058	19.1
147.10629	2.5
147.11696	71.8
149.09630	43.6
151.07552	17.3
151.11124	3.2
156.09340	9.7
159.08081	9.2
160.08832	5.0
161.02957	23.4
161.09644	17.5
161.13277	34.1
163.11238	7.1
165.09084	5.0
165.12776	84.3
171.11679	17.8
174.10422	34.7
179.10777	3.4
189.09212	3.8
189.12764	70.3
193.15945	2.8
203.04054	3.3
207.06590	3.6
207.10327	8.8
207.13823	100.0
207.17131	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03965	0.9
55.05509	2.5
56.65697	0.8
57.07060	2.2
59.05003	1.7
65.03928	0.8
66.61644	0.7
67.05503	7.8
69.03430	1.8
69.07060	2.0
70.67822	0.8
70.68146	1.9
71.04985	1.5
78.51016	0.7
79.05505	5.5
81.07058	16.4
83.04984	1.5
83.08570	0.8
85.02908	100.0
85.06545	1.0
91.05486	8.5
93.07060	7.1
95.04959	2.6
95.08607	5.7
97.06538	1.1
103.05481	1.0
105.07037	13.9
107.04971	0.9
107.08616	6.4
109.06516	4.4
109.08498	1.0
109.10162	15.8
111.04442	1.4
119.04942	1.8
119.08590	15.2
121.06501	1.0
121.10153	12.2
123.04396	1.1
123.08078	4.0
123.11716	62.6
124.12064	0.8
125.06003	10.0
128.06189	1.0
129.07010	1.9
131.08566	3.7
133.10178	1.4
137.06009	1.5
137.09552	1.6
139.07564	0.9
141.05530	1.2
143.08578	2.3
145.06494	1.2
145.10141	6.6
147.04393	1.4
147.08072	5.8
147.11694	15.7
149.09625	15.9
151.07562	4.9
151.09480	2.2
156.09341	3.1
160.57590	0.8
161.02347	1.0
161.05974	2.4
161.09592	2.1
161.13243	2.2
163.11153	2.0
165.12762	2.7
169.08446	0.9
171.11716	2.8
174.10455	2.1
175.03856	1.3
179.09015	6.3
189.12741	11.2
192.04280	0.9
207.06657	1.3
207.08458	5.0
207.13811	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02375	0.9
53.03957	8.2
54.95891	0.8
55.01870	1.9
55.05516	9.3
58.00827	1.1
62.67075	1.1
67.05169	1.8
67.05511	27.5
67.08655	0.9
69.07071	4.8
70.51437	2.1
73.06526	1.0
75.74960	1.0
77.03916	2.1
79.05502	50.9
81.07069	21.3
83.04991	2.7
83.08625	2.8
85.06557	1.9
91.05490	52.5
93.07053	100.0
95.04969	15.3
95.08621	7.9
97.10173	1.7
104.53754	1.0
105.04538	2.9
105.07044	28.7
107.04964	1.4
107.08618	9.3
109.06535	4.4
110.65038	1.0
111.31332	1.0
117.07023	4.6
119.08587	15.6
121.06548	1.8
121.10147	2.2
123.08092	2.0
127.07561	1.6
128.06195	1.5
129.07024	9.7
131.08557	1.5
133.10135	6.5
143.08554	6.6
145.10130	9.1
147.11697	53.4
161.09634	4.0
161.13281	9.4
171.11710	21.3
189.12819	9.3
207.13828	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.01596	0.5
51.02389	1.1
53.03949	8.0
55.01875	1.9
55.05510	10.0
56.01073	0.4
57.03443	1.0
57.07058	0.5
59.05003	0.5
65.03940	1.9
67.05508	30.6
69.03428	0.5
69.07071	7.4
70.69720	1.1
70.70063	0.5
71.04990	2.4
73.06549	1.5
77.03938	1.6
79.05495	51.1
80.05834	0.6
81.03423	2.2
81.07059	26.9
83.04982	3.2
83.08627	2.1
85.06527	3.0
91.05483	54.9
93.07047	100.0
94.07399	0.8
95.04971	16.1
95.08601	9.7
97.06512	2.6
97.10168	1.6
97.14944	0.5
99.08097	0.7
103.05474	0.6
105.04523	3.7
105.07035	29.5
107.04959	1.1
107.08599	11.3
109.06541	4.2
109.10126	1.1
111.08122	0.7
115.05465	0.5
115.96435	0.6
117.07018	5.3
119.08589	15.3
121.06509	1.6
121.10129	2.3
122.63624	0.5
123.08084	4.0
123.66779	0.5
127.07573	0.9
128.06204	1.7
128.99818	0.5
129.07002	10.3
130.07806	0.6
131.08543	0.9
133.06483	0.7
133.10124	6.1
135.11694	1.0
139.07578	0.5
143.08551	5.9
145.10132	9.9
147.08008	2.4
147.11691	53.4
148.11974	1.0
156.09285	0.7
161.09622	4.2
161.13269	8.5
163.11157	0.5
165.09035	0.8
171.11697	18.7
172.11920	0.5
189.12747	11.1
207.13806	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1018
Annotation	3-Dimethylallyl-4-hydroxybenzoate
Peak:m/z	Relative Intensity
51.02366	1.7
53.03942	7.6
55.01873	10.3
55.05515	15.7
56.11996	1.6
56.96558	1.6
57.03433	4.2
57.07069	4.6
65.03945	4.0
67.05181	2.1
67.05509	32.6
67.13610	1.4
69.03409	5.7
69.07066	6.2
71.04988	15.7
79.05052	2.8
79.05494	35.2
81.03409	7.8
81.07063	20.3
83.04983	32.4
83.08598	2.2
85.02887	6.4
85.06510	4.6
91.05482	74.4
93.03397	2.7
93.07042	26.2
95.04971	19.0
95.08616	21.8
96.21664	1.5
97.02885	2.1
97.06504	3.5
99.04444	5.6
103.05479	3.5
105.03376	8.1
105.07035	71.8
107.04963	53.9
107.08598	15.2
109.02904	7.4
109.06508	7.4
109.10162	9.0
111.04420	3.3
111.08049	2.1
112.22330	1.6
113.05964	1.8
115.05452	8.3
115.96464	8.6
116.97255	4.2
117.07026	40.6
119.04934	4.0
119.08586	81.1
121.02874	2.3
121.06529	8.7
121.10159	10.5
123.04404	5.1
123.08056	10.3
123.11689	4.5
125.05982	2.3
125.09692	2.1
128.06227	28.5
129.07022	21.3
131.08560	7.2
133.06467	10.1
133.10133	43.1
133.97437	3.3
135.08054	5.8
135.11655	3.8
137.06047	1.6
137.09573	6.8
141.06996	1.9
143.08562	55.5
145.06493	10.5
145.10123	9.9
146.07260	2.7
147.04398	2.7
147.08051	36.4
147.11711	15.7
149.09596	7.2
149.13295	2.6
151.07529	5.0
151.11215	2.5
153.06998	2.7
153.68001	1.7
159.08031	2.3
161.06035	2.8
161.09630	100.0
161.13243	11.7
163.07585	3.0
163.11206	12.0
165.09116	6.4
165.12727	4.1
171.08051	16.1
171.11583	3.9
179.10747	8.5
189.09106	45.9
189.12694	6.3
189.16454	8.5
192.09337	4.5
207.06534	9.9
207.10114	47.2
207.11717	4.7
207.13542	17.0
207.17534	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	207.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13215	0.4
51.02378	0.4
53.03938	0.8
55.01875	0.7
55.05507	1.1
57.03447	0.4
57.07069	0.5
60.71776	0.3
65.03941	1.6
67.05510	6.5
68.05842	3.5
69.03431	1.6
69.07060	1.3
70.06598	2.4
71.01353	1.1
71.04987	1.8
71.55785	0.5
73.02941	0.4
77.03893	0.3
79.05491	2.6
81.03423	1.2
81.07065	2.7
83.04977	1.2
84.04491	0.7
85.02909	2.1
85.06577	0.7
87.79533	0.3
91.05488	10.5
93.07034	2.7
95.01328	0.9
95.04974	8.3
95.08626	2.8
96.05304	3.5
97.02891	0.4
97.06532	0.4
99.03921	0.4
99.04445	2.1
103.05466	3.3
105.03390	0.7
105.07041	9.5
107.04958	1.4
107.08571	3.0
109.06508	2.0
109.10158	1.0
111.04479	0.7
112.55737	0.5
113.02395	0.7
113.06011	0.6
115.05469	1.9
116.07115	1.0
117.07023	2.1
119.04957	10.6
119.08589	8.2
120.08109	2.3
120.09386	0.5
121.02834	1.0
121.06522	1.4
121.10155	2.0
123.04440	29.9
123.08057	4.2
123.11712	0.7
124.04808	0.4
128.06238	1.1
129.07021	2.9
131.04936	0.9
131.08591	1.0
133.06496	8.3
133.10165	2.4
134.06026	1.0
135.08041	0.9
137.02367	0.8
137.05966	0.8
137.09621	1.7
140.67065	0.4
143.04930	0.6
143.08537	2.5
145.06438	0.9
145.10152	1.0
146.07304	0.4
147.04420	100.0
147.08038	9.6
147.11649	2.5
148.04788	0.8
149.06001	0.6
149.09639	3.5
150.09192	0.4
151.07556	1.7
151.09512	1.3
156.09409	0.6
159.08101	0.6
161.02409	1.1
161.05966	6.4
161.09615	3.1
161.10774	0.5
161.13266	1.8
162.05536	1.1
163.03769	0.6
163.07561	0.5
163.11214	1.0
165.05496	14.7
165.06885	0.9
165.09123	1.8
165.12788	0.8
171.08122	0.5
171.11711	1.2
174.06706	0.4
175.03995	0.4
179.03462	0.7
179.05359	0.8
179.07013	1.0
179.08939	4.6
179.10597	0.6
189.01834	1.2
189.05504	2.1
189.09096	2.0
189.12761	3.0
192.04204	0.6
207.03146	2.9
207.04958	0.6
207.06538	11.0
207.08371	6.3
207.10233	3.3
207.13780	6.4
207.17421	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0813
Annotation	Doryphornine
Peak:m/z	Relative Intensity
53.03951	0.7
53.82949	0.3
54.03471	0.9
60.66907	0.4
65.03930	2.0
67.05505	23.1
68.05038	0.6
68.06278	0.7
69.03426	0.5
69.07069	1.2
70.70188	1.0
72.04517	0.5
79.05491	5.4
80.05025	1.4
81.07066	2.3
82.02942	2.9
82.06567	1.0
84.04519	2.0
85.02920	1.0
91.05475	1.2
93.05804	1.3
93.07031	0.4
94.06580	2.4
95.04972	16.2
95.08556	0.5
96.04497	4.4
96.05756	1.0
105.07037	1.9
106.06572	1.6
107.07342	4.3
107.08572	0.8
108.04481	0.5
108.08116	20.3
109.06587	0.4
110.02418	0.9
110.06049	7.1
117.05771	0.7
120.08108	2.0
120.42231	0.3
122.06032	1.7
122.08839	0.7
122.09661	7.0
123.11668	0.9
125.06001	0.8
126.55511	0.4
132.08072	1.3
134.06055	1.2
135.06825	2.1
136.07585	0.7
140.77124	0.4
148.07574	1.0
150.09142	34.5
152.07034	0.5
161.05963	1.0
161.09514	0.5
178.08635	100.0
179.08978	1.4
206.08125	65.1
207.08485	0.8
207.13849	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.045
Annotation	6-Hydroxykynurenate
Peak:m/z	Relative Intensity
70.81217	0.2
70.81541	0.3
91.05490	0.2
95.05000	0.3
98.20957	0.2
99.34261	0.2
103.05476	0.2
104.05013	0.6
118.06575	0.3
119.06919	0.3
132.04465	28.1
133.04764	0.2
135.04497	0.2
145.08432	0.4
146.06003	0.4
147.04442	0.4
147.06372	1.2
149.02365	0.2
150.02707	0.3
160.03946	0.6
160.11261	1.0
161.05992	0.2
164.04335	0.2
178.05011	100.0
179.05334	0.6
180.05391	0.2
189.07408	1.0
191.14082	0.2
201.06496	0.3
206.04501	51.2
207.04839	0.5
228.07735	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.0
54.03485	0.7
56.05024	0.6
57.07062	0.5
65.03941	2.9
67.05508	25.0
68.06284	1.1
69.03432	0.7
69.07073	1.6
69.57700	3.6
79.05493	5.8
80.05044	0.8
80.26540	0.5
81.03452	0.5
81.07066	2.8
82.02936	3.5
82.06586	0.8
84.04522	2.3
91.05498	1.7
93.05780	1.7
93.07045	1.1
94.06594	1.9
95.04975	16.3
95.08613	0.8
96.04499	4.5
96.05744	1.1
105.07040	2.8
106.06573	0.9
107.07353	4.6
107.08581	1.0
108.04450	0.6
108.08124	21.0
108.08864	1.1
110.02415	0.8
110.06040	7.1
119.35779	0.5
120.08134	0.8
121.06538	0.7
122.06044	1.7
122.09679	8.5
123.04459	0.8
123.08093	0.9
125.06064	0.7
131.04955	0.6
132.08107	1.6
133.10165	0.8
134.06024	1.6
135.06824	1.5
136.07539	0.7
145.06546	0.7
147.11627	0.6
148.07602	0.9
149.02325	1.1
150.02695	1.8
150.09154	36.8
152.07054	0.8
161.05984	0.8
162.82928	0.5
163.06335	0.8
163.07582	0.9
178.08647	100.0
179.08995	1.2
184.09541	0.6
191.14285	0.9
206.08139	65.9
206.15405	1.8
207.08458	0.9
207.13652	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.045
Annotation	6-Hydroxykynurenate
Peak:m/z	Relative Intensity
55.93523	0.8
56.96559	0.5
62.33131	0.3
62.51505	0.3
68.99821	0.3
70.04840	1.4
81.03396	0.3
88.02203	0.4
91.05442	0.4
95.04981	0.3
97.02946	0.4
98.21429	0.4
104.05005	0.5
104.05858	0.3
105.07040	0.3
107.04942	0.4
119.04955	0.3
119.08578	0.3
119.85042	0.3
123.04444	0.3
130.34830	0.3
132.04457	25.9
136.04747	0.7
137.06033	0.3
146.06061	0.4
147.04416	1.0
148.04869	0.3
149.02335	1.2
150.02684	1.5
151.03879	0.4
159.99126	0.4
160.03839	0.6
161.05988	0.6
161.83977	0.3
163.03949	0.4
164.04277	0.8
178.05000	100.0
179.05302	0.8
188.04272	0.4
191.14342	0.8
205.96846	0.5
206.04492	56.6
206.08189	1.4
206.11841	1.1
219.94595	0.3
223.97641	0.9
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
51.94113	0.7
53.03943	1.6
55.05516	9.5
55.93515	2.3
57.07073	12.1
65.03934	5.4
67.05507	11.4
69.03425	1.1
69.06713	1.5
69.07068	19.9
69.30624	1.9
69.31042	6.6
71.08652	0.9
71.93009	1.5
72.93794	24.8
79.05500	10.8
81.07063	38.1
83.08634	8.7
85.02901	1.4
90.94824	7.7
91.05486	5.3
93.03414	2.0
93.07047	38.4
95.04982	2.1
95.08612	29.4
97.02886	2.3
97.10176	4.6
98.16166	0.8
99.94846	1.4
105.07024	4.1
107.08599	31.6
109.06502	1.1
109.10165	25.5
111.04468	1.0
111.11724	2.8
113.96408	43.6
115.94321	1.5
119.08577	2.4
121.02869	11.6
121.03932	1.8
121.06474	1.4
121.10149	74.1
122.10446	1.1
123.11714	13.3
125.13189	0.9
126.05444	0.9
127.97924	1.0
131.08618	1.5
131.97444	43.3
133.95341	2.5
135.11691	25.1
145.10121	1.9
149.02353	100.0
149.13271	43.0
149.14484	1.3
150.02702	1.1
154.99020	13.0
159.08128	0.9
163.14833	4.3
167.03456	1.7
205.08604	1.7
205.10512	1.2
205.12236	2.6
205.14200	4.6
205.15984	2.9
205.19542	28.7
210.99686	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1953
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
50.14543	1.0
53.03932	1.7
55.05516	15.7
57.07080	10.9
58.66582	1.1
65.03941	6.5
67.05510	100.0
69.03425	1.7
69.07072	13.6
70.18648	4.2
76.14847	0.9
79.05502	42.9
81.03431	1.7
81.07063	86.9
82.07375	1.3
83.08630	9.5
85.02902	1.3
91.05483	7.6
93.07051	51.2
95.04971	3.4
95.08616	39.3
97.02900	4.6
97.10172	1.8
105.07043	4.0
107.04915	1.9
107.08604	29.8
109.06526	1.1
109.10165	28.9
111.04359	0.9
113.96460	1.2
117.06995	2.5
119.08607	3.1
121.02860	8.2
121.03943	2.2
121.06506	4.5
121.10152	73.7
122.96590	1.0
123.08087	1.7
123.11721	34.5
131.08583	2.5
131.97462	2.8
135.08041	2.1
135.11705	53.4
137.13234	5.4
145.10136	6.0
147.08029	1.9
148.08899	1.4
149.02354	63.1
149.05936	1.3
149.09589	3.0
149.13286	16.7
154.99135	1.1
159.08138	1.1
159.11693	2.3
161.09630	2.8
162.10405	1.6
163.11203	2.8
163.14847	7.6
167.03345	1.6
177.12767	2.7
181.97871	1.3
187.11261	2.1
205.08652	2.3
205.12212	5.3
205.14186	6.7
205.15898	72.8
205.19525	65.9
206.16237	1.5
219.74640	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1953
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
51.03239	0.3
51.64384	0.3
53.03941	0.9
55.01868	0.5
55.05515	4.4
57.07079	8.7
60.78505	0.4
65.03945	6.1
67.05514	5.7
69.03436	0.4
69.07072	5.6
70.04756	1.6
71.08630	0.4
71.93031	0.5
72.93793	3.2
79.05504	6.8
81.03426	0.6
81.07063	14.7
83.08614	3.0
84.04483	0.4
86.52834	0.3
86.66764	0.4
90.94839	1.1
91.04954	0.6
91.05492	6.3
93.03404	1.7
93.07056	15.3
95.04960	1.3
95.08614	8.4
97.02879	0.9
97.06541	0.4
97.10179	1.9
98.20840	0.5
105.07045	3.3
107.04972	1.0
107.08604	12.6
109.06518	0.6
109.10162	8.2
111.04475	0.9
111.11716	0.8
113.96423	6.0
117.07028	1.9
119.08561	1.3
121.02869	12.6
121.03976	2.5
121.06537	2.2
121.10153	23.4
123.08105	0.5
123.11726	4.1
131.08577	4.3
131.97453	5.8
131.98373	0.6
133.10120	0.5
133.95398	0.5
135.11684	6.7
137.13257	0.5
145.10121	2.2
147.11728	0.4
149.02354	100.0
149.13274	14.9
150.02679	1.4
154.99063	1.4
159.11681	0.8
161.09659	0.7
163.11220	0.5
163.14844	1.4
167.03389	1.4
177.12758	0.8
187.14841	1.2
190.05008	0.9
191.14346	1.1
205.08665	0.7
205.12225	1.1
205.14178	1.5
205.15919	10.0
205.19502	7.6
220.57028	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.8
55.01867	2.1
55.05298	0.7
55.05516	6.8
57.03437	3.4
57.07081	9.6
65.03932	3.3
67.05173	0.9
67.05509	16.9
69.03445	3.7
69.06773	0.8
69.07073	8.7
71.04992	1.5
77.03915	0.8
79.05494	23.3
81.03410	1.6
81.07059	27.3
83.04989	8.1
83.08619	2.8
85.02911	1.1
85.06563	3.8
91.05482	31.0
93.07048	31.8
95.04992	5.0
95.08613	25.4
96.85191	1.0
97.02876	1.5
97.06531	4.5
97.10161	0.9
98.20692	1.7
105.07038	31.8
107.04964	5.2
107.08604	25.7
109.02850	0.7
109.06522	7.0
109.10166	11.2
111.08087	3.1
115.05457	1.5
116.06181	0.8
117.07027	20.0
119.08587	33.1
119.97865	0.7
121.02859	4.5
121.03944	0.9
121.06512	4.3
121.10150	26.6
123.08048	5.1
123.11681	2.2
125.09594	1.0
128.06204	0.9
129.06989	2.2
130.07748	1.9
131.08572	30.8
133.10135	15.5
135.08069	8.9
135.11705	8.9
137.05966	1.0
137.09596	2.3
143.08545	0.9
144.09390	1.6
145.06483	2.0
145.10136	33.4
145.11279	1.9
146.10800	0.9
147.08076	1.5
147.11708	10.1
149.02350	27.9
149.06003	0.8
149.09628	11.9
149.13255	4.1
159.08067	1.5
159.11691	16.7
161.09616	1.7
161.13261	51.5
163.11195	5.5
163.14827	11.7
177.12718	3.2
177.16422	6.4
187.11230	2.1
187.14835	66.3
190.09846	0.8
205.08578	4.4
205.12581	10.0
205.15887	100.0
205.19470	2.4
206.16170	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	205.1589
Annotation	(+)-Chamecynenol
Peak:m/z	Relative Intensity
53.03941	1.7
55.01862	2.0
55.05515	8.2
55.86552	0.7
57.03422	2.5
57.07080	5.7
63.92985	0.8
65.03926	3.3
66.64668	0.8
67.05164	1.3
67.05505	19.4
69.03419	3.0
69.07068	6.9
70.12428	0.8
70.79159	0.7
70.95661	1.3
70.95993	1.2
71.04990	1.0
79.05492	28.1
79.05957	1.5
81.03419	1.0
81.07056	27.3
83.04984	28.2
83.08610	2.5
85.02891	1.5
85.06548	1.3
88.79598	0.7
91.05479	29.7
91.77795	0.6
93.03413	0.9
93.07045	31.8
95.04974	7.7
95.08606	25.2
97.02874	1.6
97.06528	5.1
97.10178	1.3
103.05431	1.5
105.04446	0.9
105.07030	33.9
107.04946	4.0
107.08594	38.3
109.06544	6.4
109.10163	9.9
111.04433	1.4
111.08067	3.2
115.05440	0.9
117.07011	18.5
117.07845	1.2
119.08580	29.2
121.02858	3.3
121.04042	0.9
121.06509	4.2
121.10144	26.4
122.94977	0.7
123.08076	6.1
123.11710	4.0
125.09621	1.3
128.06200	1.0
129.07016	1.4
130.07782	2.2
131.08566	39.3
133.06474	1.0
133.10133	17.3
135.08057	8.5
135.11679	9.4
137.09583	2.3
143.08536	1.3
145.10124	40.7
146.10510	0.9
147.11688	11.2
149.02347	27.0
149.09631	10.4
149.13287	4.4
153.09071	1.4
157.10141	0.9
158.10895	1.1
159.08138	1.9
159.11700	19.7
159.12990	0.9
161.09624	2.6
161.13261	54.4
162.10446	0.9
163.07553	1.3
163.11238	4.4
163.14821	14.8
164.11830	0.7
175.07520	1.0
177.09048	1.1
177.12788	3.7
177.16409	5.0
185.13254	1.5
187.11243	2.3
187.14827	80.6
188.15076	1.8
190.09900	1.7
205.04926	1.1
205.08553	4.6
205.12427	10.4
205.15878	100.0
206.16258	1.6
225.80904	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0861
Annotation	Anofinic acid
Peak:m/z	Relative Intensity
53.03947	7.3
53.53126	0.9
55.01870	3.8
55.05514	3.9
57.07063	2.7
65.03947	37.9
66.52715	1.0
67.01856	3.2
67.05510	37.4
68.93608	0.8
70.48761	1.0
70.49104	2.9
79.05500	33.8
81.03426	15.4
83.04990	13.6
85.02913	1.2
87.80424	0.9
88.64073	1.1
91.03152	0.8
91.05488	58.9
93.03400	3.6
93.07040	4.3
94.04169	2.2
95.04977	100.0
95.08574	0.9
97.02876	1.7
103.05503	5.5
105.03408	6.6
105.07040	28.7
107.04963	45.4
107.08598	2.9
109.02903	2.3
111.04436	2.8
115.05457	16.1
116.06251	12.1
117.07032	28.9
119.04929	4.4
119.08582	6.0
121.02872	3.0
121.03857	0.9
121.06510	3.0
121.10126	1.8
123.04443	7.1
128.06241	8.4
129.07016	13.5
131.04945	3.4
131.08580	49.5
133.06503	15.1
133.10129	1.6
135.04411	4.9
135.08054	2.7
141.07005	9.4
143.08571	1.8
144.05704	4.7
145.06509	10.8
145.10152	1.6
147.04428	1.9
149.02361	20.5
149.05980	1.8
149.09587	1.8
159.08073	38.2
160.08705	1.0
161.09618	3.7
163.07552	3.0
163.11205	1.4
168.08754	1.1
169.06410	1.0
177.05453	1.7
177.09135	3.4
187.07564	11.0
200.23143	0.9
205.08615	70.9
205.12250	4.2
205.14063	1.9
205.15942	2.2
206.08913	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0973
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
56.96564	0.7
57.07075	2.5
65.03941	1.9
69.03452	0.7
71.24733	1.3
72.60882	0.6
74.02455	1.3
75.84717	0.6
76.49976	0.6
77.95313	0.6
78.95274	0.7
85.02917	0.7
91.05482	2.6
93.07055	0.8
97.02912	0.8
103.05460	2.7
105.07003	1.2
107.04935	0.7
109.02878	0.7
115.05466	5.1
117.05750	1.8
117.07007	3.2
118.06547	45.5
121.02876	2.5
121.06491	1.5
130.06546	3.6
131.04913	3.9
132.04419	3.8
132.08090	10.5
135.04411	2.4
135.11740	0.6
142.06541	4.6
143.04961	1.2
143.07317	7.0
144.04459	1.3
144.08087	20.5
145.06508	1.2
145.10130	1.1
146.06015	100.0
149.02354	15.7
149.05948	1.5
159.04425	3.8
159.08003	0.9
159.09177	9.4
159.11618	0.6
160.07541	1.4
161.06001	1.2
161.09650	0.8
163.03952	4.2
170.06032	7.9
177.05463	3.0
177.12726	1.0
178.05000	15.3
178.06491	1.2
181.97893	1.1
187.03925	2.8
187.07602	0.7
188.07072	83.5
189.07310	0.8
205.04990	7.0
205.09900	0.8
205.12106	1.7
205.13918	0.7
206.04515	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	203.1795
Annotation	(+)-alpha-Curcumene
Peak:m/z	Relative Intensity
53.03926	2.6
55.01869	1.7
55.05505	7.6
57.07067	5.9
57.30151	1.5
60.04505	2.8
61.64029	1.2
65.85153	1.5
67.05506	29.2
69.07076	10.2
70.94249	2.4
71.39455	1.4
71.46244	1.8
75.90878	1.6
79.05497	26.5
81.07064	33.4
83.04956	2.4
83.08609	3.1
84.04502	4.6
85.06544	2.0
91.05485	96.3
93.07046	22.7
95.04967	1.7
95.08609	24.2
96.04562	1.5
105.07034	71.6
107.08594	16.7
109.10173	14.1
110.16196	1.6
117.07010	11.1
119.08591	99.8
120.96511	2.2
121.10149	18.6
123.11687	4.1
126.05476	4.9
129.06993	6.3
131.08592	7.2
133.10133	73.0
135.08080	2.6
135.11665	4.4
142.07803	2.2
143.08586	6.1
145.10121	3.3
146.07324	1.5
147.08049	4.8
147.11690	43.2
157.10118	2.9
159.11723	6.2
161.09598	6.5
161.13264	18.9
170.74162	1.7
174.06757	1.7
175.11198	2.1
175.14821	9.1
185.09724	3.7
185.13284	14.4
203.10634	12.1
203.14348	41.7
203.17966	100.0
204.08615	1.9
204.13811	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	203.1797
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03939	1.8
55.05523	5.0
57.07089	2.3
60.04498	1.4
67.05173	1.2
67.05508	17.4
69.07071	8.6
69.98331	4.7
69.98703	1.8
70.94260	1.5
74.23561	1.0
79.05492	7.6
81.07068	25.7
82.24722	1.0
83.08614	1.9
84.04485	1.1
91.05485	11.8
93.07050	18.1
95.04988	1.2
95.08616	61.0
97.10172	1.5
97.40958	1.1
105.07041	40.6
107.07866	1.6
107.08604	36.1
109.10168	38.7
111.96864	3.2
119.08595	32.0
119.75683	0.9
120.96438	1.4
121.10155	17.2
123.11729	7.4
126.05502	1.8
129.97911	2.2
131.08632	1.2
133.10143	23.5
135.11705	2.6
145.10150	1.8
147.08075	1.2
147.11702	42.3
161.09637	1.6
161.13275	16.7
175.14865	8.6
184.43983	1.1
203.07137	1.4
203.10689	3.2
203.14304	5.2
203.17978	100.0
204.08563	1.2
204.13895	4.5
204.18301	1.3
215.96532	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
50.67318	0.9
53.03925	1.3
55.05509	7.3
57.07059	2.8
60.04521	1.5
60.56829	0.9
65.03916	1.2
67.05510	15.6
69.06726	1.0
69.07072	13.4
70.05019	2.1
70.05418	1.8
79.05495	9.8
81.07060	28.1
83.08612	3.5
84.04492	3.1
91.05482	19.3
91.46603	0.9
93.07050	15.5
95.08611	40.9
96.04505	1.2
97.02898	1.7
97.10194	1.1
98.20885	1.2
100.39893	0.9
103.05518	1.2
105.07034	100.0
107.08596	21.7
109.10162	32.3
109.10914	1.3
114.05521	1.1
117.07011	2.4
119.08589	49.9
121.10151	13.4
123.11723	6.3
126.05522	4.3
129.07001	1.8
131.08557	4.4
131.59235	0.9
133.10136	42.3
135.11729	5.1
138.32751	0.9
140.11241	0.9
145.10129	4.5
147.11696	73.2
157.10213	1.0
159.11694	3.8
160.12447	2.7
161.13268	25.4
170.21222	0.9
175.07484	0.9
175.14868	10.3
176.79903	0.9
185.09656	1.3
185.13161	1.1
203.07069	1.3
203.10674	2.8
203.14601	6.1
203.17963	84.1
204.08727	2.2
204.13870	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	203.1796
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
52.30776	0.9
53.03934	1.3
55.05294	1.1
55.05513	10.5
57.07067	3.0
60.04482	0.9
64.84821	0.8
65.03927	1.6
67.05510	11.1
69.06718	1.3
69.07072	17.0
69.51401	3.7
69.51821	3.3
71.08617	1.1
79.05505	7.3
81.07066	23.7
83.08617	4.6
91.05489	13.7
93.07044	13.7
95.05011	1.6
95.08611	31.1
95.87223	1.0
97.10149	2.2
101.19028	1.0
103.05457	1.0
105.07037	58.6
107.08597	18.9
109.06546	1.1
109.10166	22.1
115.05437	1.0
117.07018	3.6
119.08587	68.7
121.10157	16.7
123.11719	4.4
128.06203	2.4
129.06992	2.7
130.06523	2.7
131.08578	6.2
133.06506	1.4
133.10136	49.5
133.94777	0.9
135.11716	6.6
143.08545	3.2
145.10129	19.2
147.04498	1.0
147.07967	1.3
147.11697	62.8
149.02396	1.8
157.07613	3.7
157.10123	2.0
159.11668	6.2
160.12469	6.5
161.05983	1.4
161.09630	2.1
161.13271	30.3
171.08104	1.1
173.13268	1.8
174.14024	1.7
175.07544	1.7
175.14822	6.5
185.13223	2.1
188.08408	1.4
188.15659	1.2
202.43687	1.0
203.03381	1.0
203.08292	2.6
203.10678	4.9
203.14575	7.6
203.17970	100.0
204.18329	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1797
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
52.84190	0.8
55.01850	1.3
55.05519	11.4
57.07063	2.2
60.04525	1.1
60.32265	0.9
65.03950	1.2
67.05227	1.1
67.05513	11.0
69.03454	1.4
69.06728	1.1
69.07075	19.9
71.15961	2.6
74.07804	0.9
79.05504	7.2
81.07066	26.1
83.08630	5.5
91.05480	13.0
93.07056	10.3
95.04964	1.4
95.08615	30.0
97.10156	0.9
103.05506	1.2
105.07040	54.8
107.08601	16.5
109.09464	1.1
109.10164	15.8
115.05455	1.9
117.07045	5.0
119.08593	69.9
120.96537	0.8
121.10150	16.6
122.11436	1.0
123.11682	3.9
128.06215	2.4
129.07018	5.8
130.06541	12.4
131.08548	6.4
133.06499	1.9
133.10138	63.7
135.11732	6.7
142.07788	2.5
143.08546	4.3
145.06541	1.9
145.10139	21.3
147.04449	1.7
147.08044	3.1
147.11694	63.3
148.12462	0.9
149.02315	1.5
157.06476	1.6
157.07632	14.4
157.10143	4.0
159.08034	1.2
159.11705	7.8
160.08821	1.4
160.12488	9.4
161.06070	0.9
161.09598	4.5
161.13272	33.2
170.10904	1.1
173.13278	2.0
174.14017	1.2
175.07487	2.5
175.08842	1.2
175.11157	2.4
175.14841	6.7
185.07123	1.4
185.09676	1.7
185.13254	2.9
189.11554	1.0
203.03429	1.7
203.08426	9.9
203.10608	8.0
203.14334	12.3
203.17970	100.0
204.13860	3.1
204.18193	1.3
208.26244	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0703
Annotation	3-Hydroxy-5-methyl-1-naphthoate
Peak:m/z	Relative Intensity
53.00286	0.4
53.03935	0.8
55.01877	2.1
55.05515	3.2
56.96571	2.9
57.03429	2.0
59.05006	0.5
60.04527	0.8
65.03931	0.5
67.05497	0.8
68.99782	0.6
69.03416	0.6
70.91215	0.7
70.91540	0.6
71.01344	0.7
71.68564	0.5
77.03936	0.6
79.05504	1.4
81.03428	2.6
81.07058	1.2
83.01329	0.8
83.04996	2.8
84.46693	0.5
86.09710	5.3
91.05482	7.6
93.07059	0.7
95.04965	0.8
95.08613	1.3
99.04477	0.5
101.06007	2.7
103.05470	1.9
103.65828	0.5
105.07035	5.7
107.04961	10.2
107.08595	0.8
109.02901	2.2
111.04427	2.9
115.05457	1.9
117.07047	2.5
119.04951	2.2
119.08586	5.9
120.05721	0.7
121.02874	8.2
127.05460	0.8
128.06229	7.9
129.05528	2.2
129.07007	9.7
130.06503	1.0
131.04010	0.9
131.04936	13.9
131.08597	1.1
132.05716	2.0
133.06500	12.2
133.10098	1.1
135.04402	0.7
139.05470	0.6
141.06976	0.6
142.07808	0.8
143.08534	0.9
144.05757	2.3
145.06491	10.4
147.04425	9.4
147.08054	21.4
147.11719	0.7
155.06029	1.8
157.06496	100.0
158.06961	0.7
159.04420	1.8
159.08044	1.4
159.09134	0.9
160.05205	5.6
161.05994	22.9
161.09627	1.1
167.04926	0.5
173.05951	1.8
174.06766	0.9
175.03946	4.2
175.07561	19.6
185.05959	19.4
185.09648	0.6
185.13266	0.5
186.06731	0.5
203.03397	7.4
203.07040	27.7
203.08882	1.3
203.10555	2.1
203.14287	2.2
203.17986	1.3
220.98878	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1797
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03935	1.8
55.05516	9.3
56.19436	1.0
57.07064	1.6
64.51598	1.1
67.05502	9.3
69.07076	14.7
69.43721	8.2
70.62279	0.9
79.05509	8.8
81.07064	100.0
83.08625	6.0
84.04506	1.9
87.80571	0.9
91.05488	11.1
93.07051	12.1
95.08615	35.8
97.02914	1.3
97.10149	1.8
105.07040	57.8
107.07964	1.4
107.08612	17.5
109.06529	1.1
109.10164	18.1
117.07043	2.8
119.08592	45.2
120.96503	1.5
121.10153	14.0
123.11719	6.0
126.05513	2.3
128.06168	1.0
129.06978	1.1
131.08623	6.9
133.10138	37.8
135.11703	11.0
143.08588	1.7
145.10136	12.5
146.88974	0.9
147.04369	1.3
147.11702	87.3
148.12418	1.4
157.10146	1.7
159.01709	1.0
159.11690	5.4
160.12502	7.1
161.09692	1.6
161.13258	26.0
169.22481	1.0
173.13281	1.1
174.14073	2.3
175.14769	3.7
185.09669	1.0
185.13322	1.7
188.15649	1.2
203.03351	1.3
203.07053	2.0
203.10661	3.7
203.14427	5.3
203.17975	95.0
204.08691	1.1
204.13948	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0704
Annotation	3-Hydroxy-5-methyl-1-naphthoate
Peak:m/z	Relative Intensity
53.03931	2.0
55.01864	3.3
55.05507	2.0
55.93515	1.1
56.96337	0.9
56.96572	10.4
57.03432	1.3
58.27449	0.9
60.04517	2.4
67.05505	1.0
68.99758	0.8
69.03418	2.1
69.07057	1.2
69.78109	4.7
70.74982	1.0
70.98159	0.8
72.08141	1.4
72.93769	2.1
79.05509	1.0
81.03415	2.9
81.07037	1.2
82.91323	1.0
83.04935	1.0
84.04484	1.5
85.02909	2.1
90.05576	1.1
91.05491	10.0
93.07051	1.7
95.04979	1.3
95.08569	1.7
97.02882	2.0
98.97591	2.4
99.04440	1.2
101.06017	1.0
103.05473	2.7
105.07040	7.9
107.04960	12.7
107.08565	1.1
109.02856	2.3
109.10110	1.6
115.05450	2.7
116.98570	1.3
117.07026	2.7
119.01910	2.9
119.04928	2.8
119.08596	7.9
120.02051	1.7
120.96526	1.9
121.02898	6.6
128.06229	8.9
129.03358	0.9
129.07019	14.6
131.04935	10.8
131.08591	2.0
132.05736	2.2
133.06512	13.1
133.10188	2.2
134.99670	0.9
135.98824	0.9
137.02914	1.6
141.07025	1.0
142.07774	1.8
143.08777	1.4
144.05699	1.2
145.06528	5.4
147.04407	15.2
147.06947	1.3
147.08069	24.4
147.11676	1.9
150.97063	0.9
155.06013	1.7
156.96136	1.1
157.06508	100.0
157.10089	2.6
159.04396	1.3
159.08041	1.9
160.05252	6.9
161.02965	2.1
161.06001	22.6
161.09602	1.5
171.02910	1.0
173.05992	1.4
173.23152	0.9
174.06718	2.1
174.98546	1.1
175.03938	3.7
175.07571	29.5
175.11230	0.9
179.97849	2.7
185.00790	0.9
185.05975	14.6
185.09743	2.4
199.12131	0.8
202.51738	0.9
202.97972	1.9
203.03416	13.8
203.07030	33.8
203.10780	6.6
203.14265	5.2
203.17946	2.1
204.13724	1.0
211.02711	1.7
213.04367	1.9
220.98958	3.0
221.01003	1.7
221.02940	5.4
221.04965	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.1076
Annotation	L-Dihydroanticapsin
Peak:m/z	Relative Intensity
55.01877	7.6
55.05501	3.8
55.93515	1.5
56.01392	1.6
56.96555	5.2
57.03418	1.7
57.07080	16.9
58.02948	1.2
59.04984	1.5
60.04530	2.2
67.05225	1.4
67.05508	15.9
68.05055	2.0
68.19518	1.3
69.07075	16.3
70.02959	19.4
70.06595	2.1
71.56506	1.8
72.04156	1.6
72.04520	23.5
72.08173	1.5
73.02551	1.9
73.02924	24.1
74.02433	4.7
79.05499	1.7
81.07041	3.6
81.67400	1.2
83.04980	3.6
84.04488	3.9
84.08139	2.2
85.02920	2.6
85.06557	13.7
86.09715	9.4
87.08104	5.0
88.04004	2.2
90.05544	4.2
91.05474	3.5
95.04967	19.6
95.08588	1.6
96.04486	1.6
96.08112	8.1
98.02428	43.2
98.06043	2.7
98.97616	1.7
99.08099	1.7
100.03993	14.9
103.07586	4.8
110.09676	2.1
112.07607	5.1
113.06028	12.2
114.05488	2.6
114.09170	1.4
116.03468	37.3
119.01933	3.2
119.04954	2.5
124.06692	2.9
124.07606	54.1
128.03458	2.9
128.04909	1.4
128.06241	2.3
129.07005	3.3
130.06526	2.5
130.08620	3.1
131.07057	4.8
132.10199	3.1
133.06558	1.8
137.02982	1.6
138.09164	2.5
142.05005	1.7
142.08649	57.1
146.06834	3.8
147.04420	8.6
148.09715	2.5
156.10245	9.0
157.06516	12.1
158.11761	1.9
160.09731	12.6
161.05948	2.3
166.08618	4.4
174.06461	2.4
174.11270	4.8
175.03917	1.9
175.07504	3.9
184.09743	41.5
185.05927	2.5
191.05719	1.7
202.05746	6.1
202.08829	5.8
202.10754	100.0
203.03371	4.8
203.06987	7.3
221.02997	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	202.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.7
55.05511	3.2
56.96562	18.7
57.03424	5.4
61.02916	7.2
62.06078	3.9
65.76225	2.0
67.56048	2.0
69.03432	3.6
70.13633	6.7
70.98104	5.0
80.92246	2.2
85.02895	4.3
87.60966	2.2
98.97591	18.2
100.02451	2.4
101.00895	29.5
102.00948	5.3
102.02229	4.6
102.09177	9.1
103.02450	2.5
106.54355	2.4
115.02427	3.7
116.98619	10.2
117.01846	2.4
119.01924	100.0
120.02015	17.5
121.01665	2.8
126.09619	2.1
127.03954	3.6
128.98495	3.2
131.01886	4.4
133.03445	6.7
134.03545	5.2
134.99660	2.5
137.02959	24.2
138.03061	3.9
142.03519	26.2
143.01907	2.9
145.03511	4.1
146.95726	2.6
146.99548	6.5
152.04884	2.3
155.01886	3.4
157.03432	3.2
160.04565	12.3
161.02936	18.1
170.01190	10.1
177.02498	3.3
179.00735	2.9
179.02194	9.5
179.04019	29.6
185.03004	3.1
187.00893	2.3
188.01088	3.5
197.03024	3.4
202.03874	6.4
202.17978	7.3
220.02089	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	202.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07777	1.9
54.69523	2.2
56.96558	4.4
57.68375	2.0
70.03018	11.5
82.01456	17.0
98.97596	17.9
100.02486	49.9
101.00893	28.6
102.00943	3.8
116.98590	12.7
118.03532	18.8
119.01928	100.0
120.02003	5.9
124.02446	4.1
132.93945	2.0
134.99651	3.8
137.02953	21.8
142.03510	49.6
143.03600	3.3
157.49020	3.4
160.04597	14.8
161.02924	16.6
177.00919	7.4
177.34152	2.3
178.01031	9.6
179.00737	5.6
179.04015	27.1
179.98125	16.4
187.99319	4.4
190.49576	7.2
190.99649	3.4
191.49573	3.2
193.94963	3.4
196.48328	5.7
196.98064	3.2
197.46878	3.9
197.99205	33.7
199.50085	24.4
200.00079	7.8
200.49814	3.2
205.45634	2.5
208.48830	3.3
208.97755	3.4
214.95599	4.5
215.46170	3.9
220.02145	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	202.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03516	4.0
70.17343	13.2
70.17728	9.0
98.97601	8.4
101.00908	24.7
119.01923	100.0
137.02954	22.4
142.03513	37.8
143.01906	5.7
156.97461	6.6
160.04544	12.8
161.02975	18.4
179.00900	4.2
179.04102	19.7
220.02147	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0549
Annotation	5-Methylangelicin
Peak:m/z	Relative Intensity
53.03944	0.9
55.01880	11.2
55.05506	1.5
57.03431	1.5
59.93107	0.9
63.05524	0.8
64.87900	0.6
67.05508	3.3
68.99805	4.1
69.03428	1.4
69.07053	0.6
70.06600	0.7
70.48083	1.2
70.48437	1.2
71.05006	1.0
71.48184	0.7
72.50928	0.5
76.67876	0.6
79.05505	2.2
81.07059	7.2
83.04996	0.9
85.02898	1.8
85.06554	1.8
89.03954	0.7
91.05491	7.0
93.07061	1.2
95.01350	0.6
95.04972	1.0
95.08616	1.4
97.02904	1.4
97.06546	0.9
98.21120	1.3
98.97590	1.2
100.03992	0.8
101.06039	1.3
103.05462	7.9
103.61745	0.6
105.03430	0.7
105.07051	1.8
107.01311	0.9
107.04996	0.7
107.08617	1.0
109.06506	1.3
109.10126	1.0
111.04459	0.8
115.05467	14.9
116.97305	0.6
116.98610	0.6
117.07027	30.6
118.96778	6.3
119.04945	1.0
119.08582	1.0
123.08051	0.8
127.05436	4.6
128.06235	2.4
129.05484	0.9
129.07001	1.2
130.38361	0.6
131.04007	1.3
131.04941	15.8
131.08585	1.1
133.06488	1.2
133.99133	1.6
137.06003	1.1
137.09644	1.5
141.01120	1.4
141.06956	0.8
144.05711	2.2
145.06499	100.0
145.10130	3.0
146.06883	1.3
147.04431	1.6
150.95772	0.8
154.96457	2.0
155.04909	3.3
155.06026	17.5
155.06895	0.8
155.08662	1.1
157.06483	2.1
158.03632	1.2
159.04428	20.3
159.08054	1.7
159.11601	1.3
160.27080	0.6
171.04483	0.6
172.05296	0.7
172.97458	0.6
173.02432	2.0
173.06003	65.5
173.13304	1.4
177.98036	4.6
183.01117	2.2
183.04456	3.0
186.54781	0.7
201.05484	66.2
201.09261	3.5
201.10950	1.4
201.12737	2.5
201.16312	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47808	0.5
55.01870	0.7
55.05535	0.4
56.96567	4.2
57.03440	0.9
57.90173	0.4
58.99872	1.1
60.00634	0.4
61.02920	1.0
61.42110	0.4
64.67793	0.4
66.55340	0.4
68.98312	0.4
69.03428	0.8
70.99854	1.0
71.00794	0.4
71.55743	0.5
73.02927	0.9
73.46716	0.4
76.73957	0.4
77.00903	0.9
82.99846	1.9
84.96032	0.6
85.02906	1.4
86.99339	0.5
88.99092	0.5
91.02422	0.5
94.02958	0.4
95.01277	0.5
98.97581	2.4
100.02480	0.6
101.00887	28.3
102.00991	0.9
103.00636	0.6
103.02463	0.6
110.97572	0.5
113.00890	1.3
113.02350	0.9
115.02425	2.7
116.98631	1.6
117.98960	0.5
118.03569	0.6
118.96761	0.8
119.01927	100.0
120.01990	2.7
121.01671	1.5
123.47404	0.5
126.98856	0.6
127.04036	0.5
128.98653	0.6
131.01910	7.5
133.03476	33.3
134.03650	0.9
134.99736	0.7
137.02963	26.7
138.03049	0.9
142.03574	2.0
143.00145	0.4
143.01895	0.9
144.99828	3.0
145.03448	2.0
146.00012	0.7
146.99715	0.8
149.02963	3.0
150.03055	0.5
151.04529	16.2
152.04662	0.5
155.01901	0.5
156.05132	1.0
157.03477	1.0
158.97214	1.0
159.01433	0.8
161.03000	1.7
163.04559	0.9
168.99852	1.6
169.01582	1.8
171.01306	0.5
172.99254	0.6
173.03009	4.3
175.04555	5.8
177.00938	0.8
177.02486	2.8
177.98042	0.6
178.02597	1.7
183.03239	0.6
187.00914	3.7
187.02493	0.9
189.02652	0.5
191.04012	2.9
193.05563	2.4
195.03488	1.0
196.03453	0.6
197.96332	0.5
201.00740	0.4
201.02475	13.0
201.04224	2.3
201.09480	0.7
205.01942	0.7
212.69763	0.5
219.01845	0.7
219.03528	15.7
219.05174	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.1
56.96569	12.2
57.03431	3.9
58.99627	1.6
58.99876	15.3
61.02922	2.5
68.98295	2.8
69.03436	4.4
69.50582	1.5
69.72612	4.7
69.73024	4.5
70.99863	14.5
71.04976	2.4
72.08159	2.8
73.01410	6.2
73.02911	4.4
74.91930	1.6
77.00919	16.5
82.01454	18.2
84.04533	2.8
85.02885	5.3
86.99340	3.5
89.00907	8.2
89.01378	1.6
90.18888	1.7
90.58720	1.8
91.02464	14.0
95.01943	5.0
97.02883	5.2
98.21452	1.9
98.97598	30.7
100.02495	50.1
101.00896	26.4
102.00988	3.0
102.02222	2.6
103.00665	1.9
105.00381	4.3
105.21887	1.7
109.02844	1.8
109.03485	5.9
109.10053	1.6
110.97613	2.3
113.02374	2.1
114.04025	5.4
115.02415	5.9
116.98640	18.0
118.03533	24.6
119.01933	88.8
120.02002	9.2
120.03236	1.9
121.01662	5.7
122.02066	1.7
126.04013	1.6
126.98798	25.9
128.98651	2.3
131.01903	13.0
132.05090	4.2
132.50932	2.2
133.03476	16.9
134.03629	2.7
134.99690	10.8
136.04625	2.6
136.07597	2.2
137.02963	18.1
141.00269	2.0
141.51379	3.1
141.99464	2.1
142.01262	1.6
142.03499	9.1
143.01871	2.8
144.99837	82.7
147.01448	4.9
149.02988	10.3
150.00400	8.9
151.04587	7.6
154.03510	7.0
156.05069	1.7
157.97572	3.2
158.01196	1.6
159.01401	12.3
160.04626	1.8
161.02936	5.1
163.00870	14.9
168.01456	79.3
169.01454	1.8
170.99660	2.9
171.01331	2.2
172.04572	3.5
173.03036	2.1
173.43062	1.5
175.98724	2.7
177.00883	8.4
177.02457	100.0
182.03021	6.6
185.02957	1.8
186.02458	14.7
187.00899	4.1
189.00677	1.8
195.01836	3.2
195.03528	28.8
195.05209	1.6
200.04057	70.3
200.05902	3.6
201.02415	4.3
218.05124	7.8
219.03572	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	198.9856
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	2.8
63.50347	0.4
69.84294	2.3
77.40388	0.4
78.65263	0.4
98.97597	8.5
101.00893	1.9
101.02601	0.5
104.50142	0.5
109.48423	0.4
116.98631	5.7
119.01936	5.6
120.01995	0.7
120.95368	1.3
121.01669	1.2
134.02968	1.0
134.04816	0.8
134.99672	2.5
137.02969	1.4
138.96408	7.8
139.02579	0.4
152.05890	0.5
153.00658	0.7
153.25041	0.5
156.97493	87.7
157.97557	1.7
161.02939	0.5
161.50446	0.5
170.99057	0.8
174.98558	100.0
175.98605	1.6
176.04128	0.5
176.05840	2.2
177.01004	0.9
179.99063	1.7
180.97385	0.8
189.00095	1.0
198.00212	0.9
198.18591	2.5
198.98564	15.5
199.18889	1.6
216.96228	1.5
216.99626	38.3
217.99625	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0233
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16859	1.2
56.96567	13.3
70.27417	4.2
71.95273	2.2
84.96043	1.2
85.02883	1.2
86.73326	1.3
97.02892	1.2
98.97593	100.0
100.02444	1.3
101.00907	1.5
116.98627	64.0
119.01914	5.8
120.02026	1.5
120.70351	1.1
131.01926	4.6
134.99664	31.3
140.00160	1.8
144.99786	1.4
153.00739	2.9
154.03522	1.9
158.01294	3.5
161.02885	1.5
177.00766	3.9
177.02351	2.3
195.03445	1.6
199.18874	2.1
200.04053	4.8
206.66643	1.2
211.02771	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	41.4
57.07076	26.3
67.05504	52.4
69.07076	37.3
69.56002	19.6
70.95863	10.5
70.99063	2.6
71.04978	4.1
71.08628	7.1
71.51305	2.6
72.93812	4.1
73.12276	3.1
74.33686	3.1
77.47800	2.7
79.05478	9.4
81.07059	94.0
81.89553	2.8
82.58370	2.7
83.08636	41.5
85.06535	8.8
88.96886	4.0
91.05473	5.0
93.07034	7.2
95.04983	3.5
95.08609	93.4
97.10173	26.4
99.08081	9.5
99.74580	3.2
101.00156	2.9
105.07050	6.1
107.08594	11.0
109.06477	3.8
109.10159	100.0
111.98470	10.1
113.09610	3.9
119.08624	5.1
119.96345	3.3
123.04452	3.3
123.11720	93.2
129.99609	4.4
132.95854	16.7
133.10146	6.3
135.11723	6.6
137.06050	3.1
137.09584	4.0
137.13271	31.5
144.30948	3.3
150.96883	20.1
155.08528	4.2
155.97487	9.5
161.09583	5.4
163.05106	3.3
167.08539	3.8
169.06396	3.4
173.98506	14.4
179.10695	10.6
179.17953	28.2
182.10893	4.2
188.44196	3.3
197.06032	5.6
197.09782	3.2
197.11713	7.5
197.13321	9.8
197.18979	6.6
198.18529	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	197.1173
Annotation	LOLIOLIDE
Peak:m/z	Relative Intensity
53.03934	1.6
55.05501	4.0
57.07067	1.8
59.04998	2.5
60.26894	0.9
62.01470	1.0
65.03919	1.9
67.05502	7.1
69.07053	2.1
69.62000	3.9
69.62427	3.4
70.95856	4.6
71.04950	1.2
72.93774	3.8
79.05479	5.4
81.07069	9.7
83.08620	1.0
91.05490	14.5
93.07049	23.4
95.04988	11.2
95.08625	5.1
97.06542	1.2
103.05463	1.1
105.07037	29.8
107.04876	1.3
107.08602	67.9
109.06533	5.8
109.10150	8.4
111.98476	5.1
119.04939	2.7
119.08601	7.9
121.06522	6.0
121.10124	1.3
123.04424	4.0
123.08045	1.0
123.11731	8.3
129.99519	2.4
131.08577	2.6
132.95847	11.1
133.10139	65.6
135.08032	1.3
135.11707	50.1
137.05960	2.2
137.09619	7.5
146.07310	1.0
150.96899	17.6
151.11211	10.1
155.08606	1.8
155.97437	7.8
161.09628	32.1
165.00497	1.0
167.08525	2.1
169.10150	1.5
173.98494	11.3
179.10686	100.0
180.11000	2.0
182.10957	1.6
197.11740	67.6
197.13277	6.0
198.17061	1.2
198.18591	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	197.1174
Annotation	LOLIOLIDE
Peak:m/z	Relative Intensity
51.82846	0.7
52.38374	0.7
53.03942	1.5
55.01870	1.8
55.05518	1.8
55.47486	0.7
57.07081	2.9
59.05001	2.0
65.03938	1.1
67.05509	6.8
68.21375	0.8
69.03428	1.3
69.07069	3.4
69.22404	4.3
69.22829	3.8
70.49376	0.8
70.95860	5.1
71.05007	1.8
72.93788	2.6
79.05491	4.0
81.00508	0.8
81.07062	21.4
83.04969	1.3
85.02901	1.1
91.05486	7.7
93.07048	10.4
95.04977	40.5
95.08614	13.2
98.20750	1.6
102.46010	0.8
105.07040	10.2
107.08604	29.4
109.06519	7.6
109.10162	24.5
111.04437	2.5
111.98473	4.8
113.06038	2.3
113.96379	1.4
119.04973	1.1
119.08588	3.8
121.06515	2.4
121.10141	1.3
123.04427	1.3
123.08085	5.7
123.11717	38.5
125.05989	2.3
129.99547	1.9
132.95848	9.3
133.10133	25.9
133.11650	1.0
135.11703	16.6
137.05977	2.4
137.09631	30.8
146.07300	0.9
150.96904	13.8
151.11203	22.3
155.97449	6.4
161.09656	11.4
169.12215	1.6
173.98502	9.6
179.10689	100.0
180.11005	0.9
182.10869	0.9
197.11745	19.8
197.13234	1.0
198.18582	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	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
55.05506	3.3
59.04999	1.7
67.05518	6.4
69.03429	3.3
69.07067	2.2
69.51118	10.1
70.26962	1.3
70.95862	3.9
71.05006	1.5
72.93782	3.0
73.27267	1.4
79.05496	6.4
81.07072	9.0
90.64059	1.2
91.05485	16.3
93.07043	26.0
95.04937	3.2
95.08607	5.2
97.06516	1.4
105.07037	36.0
107.08603	100.0
108.08977	1.8
109.06509	5.4
109.10133	7.3
111.98483	5.1
117.07000	1.9
119.04977	1.9
119.06103	1.7
119.08598	16.4
121.06486	5.2
121.10143	13.1
123.04416	1.8
123.08098	2.9
123.11717	3.6
129.99506	2.4
131.08571	2.5
132.95862	9.2
133.10139	74.0
135.11693	26.3
137.05969	3.3
137.09616	5.2
139.07588	2.4
143.08623	1.9
149.09636	4.6
150.96942	9.5
151.03954	1.5
151.07564	2.6
151.11200	16.3
155.97408	7.9
161.09636	27.9
167.10690	19.6
173.98503	9.1
179.10681	74.0
197.09892	3.0
197.11739	60.6
197.13152	2.3
198.18541	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	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03933	1.4
54.90950	0.9
55.01854	1.7
55.05497	2.2
59.04984	3.4
67.05486	4.0
69.03424	1.3
69.07079	1.3
69.63163	6.0
70.95862	1.6
79.05495	6.2
81.07074	6.6
82.71756	0.8
85.06541	1.7
87.55673	1.2
91.05485	17.7
93.06475	1.3
93.07052	25.7
95.04982	7.3
95.08610	2.6
105.07037	31.3
107.08600	69.8
109.06510	4.0
109.10184	6.9
111.08113	1.0
111.98512	1.6
115.05459	0.9
117.07023	1.6
119.04929	3.5
119.08580	8.6
120.02724	0.9
121.06501	7.0
121.10152	2.3
123.04448	3.1
123.08042	1.3
123.11695	4.0
131.08546	2.6
132.95865	1.5
133.06499	2.1
133.10139	72.8
135.08051	1.8
135.11700	58.2
137.05992	3.7
137.09607	7.0
143.08572	1.4
146.07262	1.3
150.96870	3.2
151.11215	6.7
153.60088	0.9
161.09622	37.1
161.10941	2.2
173.98567	1.7
179.10683	100.0
197.11745	58.2
198.12015	1.3
198.18536	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
55.05503	2.4
57.07066	1.5
59.04979	3.4
59.50677	1.2
63.13881	0.9
67.05494	3.4
69.03416	1.6
69.07047	1.2
69.90627	1.0
70.50770	4.3
70.95850	4.1
72.93771	1.8
79.05488	4.6
81.07053	4.6
84.81564	0.9
91.05477	15.9
93.06487	1.2
93.07056	24.6
95.04974	7.1
95.08611	1.9
105.07040	31.6
107.08601	64.0
109.06513	4.7
109.10154	5.6
111.08035	1.3
111.98469	5.3
117.07045	1.2
119.04918	2.7
119.08600	8.2
119.67603	1.2
121.06498	5.1
123.04420	3.2
123.08055	1.0
123.11737	1.9
129.99532	1.1
131.08568	2.2
132.95830	6.8
133.10132	70.9
135.08093	1.5
135.11699	52.3
137.05959	3.7
137.09636	5.9
146.07300	2.0
150.96921	8.7
151.11179	4.0
155.97423	4.6
161.09622	35.0
173.98514	6.0
179.10680	100.0
180.11057	1.2
197.11740	68.7
198.12212	1.3
198.18509	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	197.1174
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
51.70361	0.9
55.05500	2.3
59.04984	1.5
65.03929	1.1
67.05505	3.3
69.03436	4.4
70.87173	2.0
70.95875	6.1
71.04990	6.4
72.93777	4.4
79.05494	4.5
81.07059	5.5
83.04983	6.4
88.96905	1.0
91.05486	13.8
93.07055	13.9
95.04992	4.2
95.08594	2.9
95.33920	0.9
97.06554	1.7
105.06377	1.7
105.07038	22.5
107.08602	100.0
109.06538	5.7
109.10159	8.9
111.98464	5.9
113.06017	12.0
113.96413	1.0
115.56450	0.9
119.04954	1.2
119.06078	1.6
119.08566	7.3
121.06516	2.9
121.10154	3.7
123.04470	1.2
123.11692	3.0
125.06001	1.6
129.99524	2.6
131.08604	1.9
132.79301	0.9
132.95866	10.3
133.10141	55.6
135.11691	14.8
137.05992	3.4
137.09631	11.2
139.07486	1.0
141.05472	2.1
146.07266	2.2
149.09645	2.3
150.96898	14.3
151.03874	1.2
151.11180	7.1
155.97426	7.4
161.09630	18.0
167.01146	0.9
167.10670	3.6
173.98497	10.9
179.05351	3.2
179.10689	34.2
182.10950	1.2
197.11739	59.3
197.13110	2.3
198.18549	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	197.1174
Annotation	LOLIOLIDE
Peak:m/z	Relative Intensity
55.01858	1.3
55.05526	2.1
57.07080	1.3
59.05005	1.6
65.03959	0.8
67.05505	3.6
69.03432	1.1
69.07064	1.1
70.95875	6.8
71.04989	0.9
72.93777	3.0
79.05491	3.5
81.07067	4.8
83.04963	0.7
83.08635	1.2
84.43876	0.6
85.02890	0.8
88.96902	1.6
90.94812	0.8
91.05487	11.5
93.07053	7.5
95.04984	4.0
95.08585	3.7
95.89808	0.6
97.06541	1.3
97.79456	0.7
101.44099	0.8
105.07043	17.7
105.07758	0.9
107.08604	100.0
109.06558	3.8
109.10174	5.9
111.98486	5.7
115.05453	1.1
115.74256	0.6
117.07090	0.9
118.07813	1.2
119.04955	0.7
119.06110	0.8
119.08591	5.0
121.06521	2.5
121.10126	1.7
123.04469	0.7
123.08086	1.3
123.11720	2.7
129.99503	2.9
131.08592	2.7
132.95840	12.4
133.10143	53.6
134.10493	0.9
135.11702	15.0
137.05960	1.5
137.09639	4.2
141.07004	0.7
143.08484	1.1
146.07295	1.1
149.09662	0.7
150.96909	15.3
151.03908	1.1
151.11195	5.6
155.97426	6.6
159.01141	0.6
161.09630	15.8
161.13319	0.6
167.10719	1.7
173.98506	10.2
179.10687	27.4
182.10890	1.1
197.00107	0.9
197.05904	1.3
197.11745	44.5
197.13229	2.4
198.12064	0.6
198.18552	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	197.1173
Annotation	LOLIOLIDE
Peak:m/z	Relative Intensity
52.97758	2.4
53.03953	3.7
55.05508	10.5
57.07065	4.3
59.04012	3.1
59.05009	3.6
66.27482	2.8
67.05508	17.2
69.03429	19.8
69.07076	6.7
69.41613	23.0
70.95866	26.1
71.04999	34.1
72.93790	18.5
79.05491	8.3
81.03431	3.6
81.07053	21.1
83.04991	24.4
83.08598	4.5
85.06538	5.2
88.96920	5.7
90.94852	4.0
91.05491	25.5
93.07054	28.1
95.04974	26.6
95.08593	10.5
97.06541	7.5
99.04463	5.4
105.07037	38.3
107.08599	100.0
109.06525	19.2
109.10163	39.8
111.08073	4.6
111.98480	25.7
113.06010	57.9
113.96397	3.7
119.08577	17.9
121.06412	3.9
121.10101	3.8
123.04446	7.9
123.08073	6.0
123.11718	9.9
125.06017	4.0
127.03924	3.4
129.99530	14.0
132.95850	43.9
133.10139	90.5
135.11700	42.8
137.05978	5.6
137.09630	50.1
141.05486	11.4
143.08606	3.0
150.96899	67.0
151.03900	3.2
151.11172	18.7
155.08568	5.2
155.97440	31.4
161.09624	34.6
165.74286	2.7
167.08575	5.2
169.10117	3.7
173.98505	51.8
179.05388	6.9
179.10675	95.8
180.11115	2.9
182.10950	6.2
197.11742	92.3
197.13312	17.2
198.18547	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	197.081
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
51.96755	0.4
53.98794	0.3
55.01875	2.8
55.93516	0.4
57.07053	0.5
62.51221	0.3
62.86852	0.3
65.03951	2.2
67.05511	1.9
68.99788	0.5
69.07053	0.4
70.00415	1.7
70.95871	3.5
72.93787	2.0
73.02924	20.9
73.35558	0.3
77.03902	0.4
79.05498	0.4
85.02911	0.7
88.96932	0.6
90.94835	0.5
91.05478	2.9
93.03412	1.0
93.07040	0.4
95.01350	0.4
95.04951	1.8
105.07037	0.7
107.04991	0.4
107.08601	0.6
108.01412	0.5
108.02084	2.3
109.02868	0.4
109.06508	0.4
109.10165	0.4
110.03667	2.5
111.04485	1.8
111.98488	3.5
112.01610	0.3
119.04984	1.6
123.04433	0.4
123.08087	0.5
125.05999	14.6
129.99544	1.1
132.95848	5.7
133.10124	1.4
136.01561	0.7
137.05981	0.8
141.05476	3.5
147.04388	0.7
149.05980	3.5
150.96912	6.7
151.03918	100.0
151.05017	8.4
151.07425	3.3
152.04272	1.0
155.97435	3.5
161.03041	0.6
161.54680	0.3
173.98524	5.1
179.07045	19.2
179.10687	1.3
197.06383	0.6
197.08105	5.1
197.09776	0.5
197.11786	0.6
198.18472	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.081
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
53.03932	0.7
55.01881	1.8
61.68341	0.3
65.03947	2.3
67.05508	2.3
68.75561	0.3
70.95874	2.7
71.01325	0.4
71.07317	0.5
72.93789	1.6
73.02924	21.0
81.07086	0.4
88.12343	0.4
91.05489	3.1
91.82380	0.4
93.03417	1.0
93.07031	0.5
93.17332	0.4
95.04975	1.6
107.08614	0.9
108.02089	2.2
109.02895	0.8
110.03664	2.9
111.04478	1.7
111.98494	2.6
112.01584	0.4
119.04955	2.3
120.39569	0.3
123.04408	0.7
125.06001	15.0
129.99509	1.1
132.95857	5.2
133.10152	0.7
135.11792	0.6
137.05968	1.1
141.05458	2.7
141.07036	0.6
147.04408	3.8
149.05998	2.3
150.96906	7.8
151.03920	100.0
151.05011	7.5
151.07469	4.6
152.04288	0.6
155.97423	3.4
173.98524	4.0
179.07048	20.3
179.10597	0.8
186.54021	0.3
197.06047	1.8
197.08144	6.3
197.11734	1.1
198.18553	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93520	1.1
56.05034	1.5
56.96562	1.9
57.46707	0.7
60.12095	0.7
62.12177	0.7
62.46665	0.6
69.03413	2.1
69.07049	1.2
70.16927	1.9
70.95868	17.4
72.93797	8.0
82.99850	1.0
88.96889	2.6
90.94809	2.1
91.05494	1.3
93.07050	0.7
95.04942	0.8
95.25574	0.7
97.02892	2.5
97.97523	0.8
98.21333	0.9
98.97576	2.9
100.02468	1.8
101.00898	6.0
101.10845	0.7
102.02245	0.8
107.08605	1.2
111.98492	11.9
113.08226	1.2
113.96453	1.8
114.04027	3.9
114.94767	0.9
116.98613	3.0
118.03497	1.4
119.01933	28.4
120.01939	1.1
120.03292	1.8
121.03486	0.8
127.02464	0.7
129.03975	1.2
129.99516	7.5
130.09869	0.8
131.01953	1.1
131.96121	1.4
131.97443	1.0
132.02097	0.8
132.05080	36.8
132.95836	19.9
133.03482	2.9
133.05188	0.7
133.10095	1.3
134.99686	3.3
137.02956	10.2
138.06703	0.6
142.03499	1.2
145.03477	4.6
146.03531	0.9
146.34245	0.7
146.99779	3.2
147.01398	1.0
147.03786	10.2
147.04884	0.7
149.97246	2.0
150.06136	23.4
150.96895	43.1
154.90799	2.0
155.01932	1.7
155.96199	1.5
155.97433	18.0
156.00304	3.1
156.05034	7.0
156.50436	0.8
156.97513	1.2
158.50635	0.7
163.04530	1.7
164.86572	0.7
165.04849	3.4
167.51013	0.8
168.97952	0.9
171.04959	1.0
173.01363	1.2
173.02937	7.5
173.04340	1.0
173.98503	27.7
174.03140	4.2
174.06139	100.0
174.98682	0.8
175.04655	1.0
175.06279	1.9
177.00948	4.7
179.10703	2.0
187.04594	2.5
188.07741	1.4
191.04027	2.2
191.99529	1.7
192.04327	1.4
192.07181	22.8
192.98706	0.9
193.07329	0.8
196.91844	1.6
197.00342	2.0
197.02989	3.0
197.04701	1.5
197.07777	2.2
197.11765	1.0
198.18491	3.3
215.01779	2.3
215.04036	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0294
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57042	0.3
55.01867	0.6
55.05510	0.4
55.20861	0.2
56.96572	3.3
57.03439	4.6
58.03790	0.3
58.99871	3.2
59.78558	0.3
61.02930	4.1
61.77424	0.2
63.36918	0.3
65.03946	0.3
67.05506	0.7
68.02628	0.3
69.03432	3.0
70.37271	0.7
70.37663	0.6
70.95863	0.4
70.98119	0.5
70.99860	2.7
71.01349	0.3
71.04984	0.5
73.01379	0.4
73.02918	1.1
77.00911	2.7
81.03416	0.9
81.07055	0.3
82.01427	0.3
82.99825	1.5
83.01508	0.4
83.04988	0.4
84.96037	0.3
85.02905	2.8
87.00835	0.8
89.00880	1.5
91.02455	1.0
91.05540	0.2
93.07040	0.3
94.02701	0.3
95.01376	0.4
95.01961	0.9
95.04956	0.4
95.06094	0.2
95.08584	0.4
97.02891	0.6
98.97580	1.2
99.04443	0.3
99.53345	0.2
100.02509	1.3
100.05229	0.4
100.38937	0.3
101.00884	26.6
101.02567	1.6
102.00964	0.6
102.02285	0.9
103.00636	0.5
103.02418	1.0
105.00381	0.4
107.01906	0.7
107.08593	0.4
109.02862	0.5
109.03527	0.9
110.02114	0.4
111.02966	0.4
111.04443	0.4
111.52991	0.4
112.02815	0.4
112.99149	0.2
113.00835	1.7
113.02376	1.3
115.02462	1.8
116.98630	0.6
117.02008	0.4
117.02979	0.5
117.03937	0.2
117.58020	0.2
118.01089	0.3
118.03536	1.1
119.01925	100.0
120.01986	2.5
120.03292	0.5
120.53593	0.3
121.01644	1.5
121.02407	0.5
121.03438	0.5
124.02541	0.4
125.02672	0.3
126.98783	1.5
127.02409	0.6
127.04062	0.4
128.02333	0.3
128.04068	0.3
128.98596	0.4
129.03972	0.4
131.01904	8.6
131.02812	0.5
131.03468	0.3
132.02008	0.8
132.05092	1.0
132.95805	0.5
133.02409	2.4
133.03485	4.5
133.10136	0.6
134.03676	0.3
134.99658	0.5
135.03111	0.5
135.11722	0.3
136.54881	0.3
136.93053	0.3
137.02960	19.4
138.03143	0.3
138.22313	0.3
139.02496	0.6
139.99780	0.3
142.02922	2.9
142.03688	1.1
142.53015	0.5
142.96555	0.8
143.01926	1.4
144.99829	8.6
145.03481	1.6
145.99985	1.0
146.03604	0.4
146.99617	0.5
147.01392	0.7
147.05006	1.1
148.02899	1.5
149.02951	1.4
150.06137	0.7
150.96851	1.2
150.99150	0.3
151.03806	0.5
153.04036	0.4
154.94148	0.4
155.01973	0.8
155.97429	0.4
156.04890	0.4
157.01558	0.3
157.03459	1.0
159.01407	0.5
159.04988	0.3
160.97552	0.7
161.01205	0.3
161.02957	1.7
161.07037	0.5
162.02815	0.3
163.00880	2.0
163.04514	0.4
167.01993	0.4
168.99841	4.0
169.03508	0.8
171.01393	0.6
171.05020	0.4
172.95255	1.0
172.99390	2.6
173.00967	0.5
173.01349	0.7
173.02925	1.6
173.99467	0.9
174.03177	1.0
174.06137	3.3
174.99142	0.4
175.00977	0.4
175.04546	0.9
176.02524	0.3
177.02466	2.0
178.02585	0.4
179.02043	0.3
179.08200	0.6
179.10687	0.4
184.04688	0.3
185.02954	0.4
187.00903	6.4
187.04520	0.7
188.01077	0.5
189.02466	0.5
189.06076	0.3
190.06067	0.3
191.00394	2.2
191.02136	0.5
191.04056	0.8
192.00517	1.6
192.04102	0.4
192.07179	0.6
193.00252	0.7
196.91829	0.4
196.99487	0.5
197.01128	2.1
197.03030	1.9
197.11731	0.4
198.18558	0.8
201.02562	0.7
203.04086	0.3
205.01968	1.2
205.03719	0.3
207.03587	0.3
210.02597	0.3
215.00232	1.3
215.02110	1.1
215.04085	1.3
219.03549	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.9934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
55.05514	0.6
55.72879	0.2
56.96328	0.3
56.96574	3.5
57.03444	5.0
58.03775	0.3
58.99866	2.9
60.52355	0.2
61.02933	4.0
65.03946	0.3
67.05494	0.8
68.98291	0.3
69.03439	3.6
69.58154	1.7
70.95863	0.8
70.99868	3.3
71.04995	0.7
72.93800	0.4
73.01433	0.4
73.02922	1.4
74.97621	0.2
75.01900	0.4
77.00916	3.6
79.05518	0.2
81.01893	0.3
81.03423	1.0
82.01439	0.3
82.99819	1.4
83.04972	0.4
85.02920	2.8
86.03706	0.6
86.99348	0.3
87.00830	0.3
89.00899	2.0
90.02409	0.4
91.02454	0.9
95.01364	0.3
95.01954	0.7
95.04985	0.7
97.02862	1.2
98.21153	0.8
98.97590	0.9
99.04453	0.5
100.02501	1.4
100.05239	0.3
101.00892	26.7
101.02541	1.9
102.00986	0.9
102.02319	0.9
103.01327	0.3
103.02431	0.7
103.03168	0.3
105.00370	0.7
105.07006	0.3
107.02655	0.5
107.08591	0.5
109.01394	0.4
109.02872	0.4
109.03526	0.3
110.02204	0.4
111.02932	0.5
111.04443	0.4
111.98466	0.7
112.01875	0.3
112.02728	0.2
113.00891	2.0
113.02396	1.9
114.02727	0.2
115.01352	0.5
115.02460	1.9
116.01337	0.2
116.02531	0.3
116.98632	0.6
117.02164	0.4
118.01132	0.4
118.03579	0.9
119.01932	100.0
120.01991	2.9
120.03319	0.5
121.01651	1.2
121.02406	0.5
121.03472	0.4
124.01835	0.6
124.95511	0.4
125.02679	0.7
126.98796	1.7
127.02431	0.4
127.03913	0.3
127.54312	0.4
128.02245	0.3
129.04001	0.7
129.99504	0.3
130.01878	0.3
131.00241	0.3
131.01912	8.7
132.02007	0.8
132.05052	1.6
132.95836	0.8
133.01573	0.4
133.02415	1.8
133.03482	4.4
133.10152	0.7
134.03618	0.4
134.05994	0.3
134.99686	0.5
135.03191	0.6
135.11707	0.6
136.04738	0.6
136.54852	0.6
137.02971	21.1
138.03217	0.4
139.02477	0.6
142.02910	1.7
142.03561	1.4
142.53032	0.5
142.96576	0.5
143.01944	1.2
144.99846	8.6
145.01585	0.4
145.03450	1.7
145.99974	0.7
146.03445	0.4
146.99634	0.5
147.01414	1.0
147.05067	0.9
148.02873	1.3
149.00354	0.3
149.02945	1.6
150.06128	1.1
150.96838	1.5
150.99187	0.5
151.02769	0.3
151.03896	0.7
153.04045	0.4
154.03543	0.3
154.94173	0.4
155.01953	1.5
155.97429	0.7
156.02098	0.3
156.05069	0.3
157.03488	1.5
158.99699	0.4
159.01430	0.8
159.03233	0.3
159.05067	0.5
160.01579	0.3
160.04582	0.5
160.97615	0.7
161.02972	2.2
161.07069	0.4
162.02866	0.4
163.00864	2.0
163.02794	0.4
163.04506	0.4
168.99889	3.6
169.03427	0.7
169.04970	0.4
170.99675	0.4
171.01358	0.5
171.05103	1.2
172.95259	0.9
172.99384	2.3
173.01134	0.6
173.02995	2.4
173.98235	0.4
173.99672	1.2
174.03174	0.8
174.06149	4.5
174.99097	0.5
175.00847	0.3
175.04553	0.7
177.00966	0.5
177.02502	1.5
178.02510	0.3
179.04042	0.3
179.08243	0.6
179.10686	0.5
180.06609	0.4
185.02913	0.7
187.00908	7.2
187.02597	0.5
187.04558	0.8
188.01074	0.3
189.00871	0.3
189.02499	0.6
190.96295	0.4
191.00414	2.0
191.02266	0.6
191.04004	0.8
192.00525	1.6
192.02142	0.2
192.04207	0.5
192.07123	1.2
193.00281	0.8
193.03796	0.3
195.03531	0.4
197.01106	1.7
197.03014	1.6
197.04648	0.6
197.11720	0.5
198.18581	0.8
201.02504	0.5
201.04192	0.3
205.01924	1.1
206.02132	0.3
215.00266	1.2
215.02080	0.9
215.03851	1.6
215.05794	0.4
219.03575	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
55.01876	4.6
55.05513	3.1
56.96571	19.2
57.03445	26.3
58.99868	6.8
59.04999	1.4
61.02930	12.7
65.03948	1.6
67.01836	0.9
67.05494	2.5
67.34020	1.0
68.02651	1.7
68.98291	2.2
69.03438	12.7
69.96189	6.5
70.98129	2.4
70.99850	4.1
71.01343	2.3
71.05006	7.0
71.55143	1.4
71.55488	1.0
71.94094	1.2
73.02927	13.1
77.00918	5.2
78.00980	0.8
79.00651	0.9
81.03423	8.7
82.01436	4.0
82.03750	1.7
82.99846	2.0
83.04986	4.8
85.01346	0.9
85.02908	16.0
86.03705	4.6
86.99335	2.2
87.00811	1.3
87.04498	1.1
88.99144	1.2
89.00892	1.4
89.06021	1.1
91.02464	0.9
91.05479	1.7
94.02670	1.3
94.99863	1.2
95.01338	2.5
95.01931	1.5
95.03455	1.4
95.05032	1.4
95.52773	0.9
97.01447	1.1
97.02896	7.1
98.97583	4.1
99.04453	5.5
100.00088	1.8
100.02499	27.1
100.05238	3.1
101.00889	25.5
101.01567	1.3
101.02573	5.4
102.02296	2.4
102.53176	1.1
103.02406	2.3
105.00386	2.6
109.03007	3.3
110.97575	3.5
111.02286	0.9
111.02914	7.1
111.04456	4.1
111.53020	1.2
113.00874	13.4
113.01575	1.5
113.02348	6.1
115.02457	10.4
115.03228	1.6
116.98635	1.9
117.02142	1.3
117.02918	1.0
118.01157	5.5
118.03548	23.8
119.01931	100.0
119.03656	4.3
120.02011	4.8
120.03413	3.9
121.01661	4.3
121.03451	1.0
123.01486	1.0
123.02896	2.2
125.02673	1.3
126.03425	1.5
126.98795	2.0
127.02425	2.7
127.04203	9.0
128.98607	2.2
129.03931	6.3
131.01920	89.3
131.96158	17.7
132.01863	1.8
132.02771	2.1
132.05080	1.5
133.01674	2.6
133.03481	14.9
135.03136	2.2
136.04752	13.0
136.54796	1.7
136.93163	1.7
137.00830	1.1
137.02963	21.6
137.04562	1.5
138.03194	1.1
139.02443	1.1
142.01154	1.4
142.03564	7.0
143.01944	8.0
144.03566	2.3
144.99849	8.4
145.01637	2.5
145.02480	1.0
145.03448	20.0
146.99657	3.4
147.01419	4.2
147.03207	2.9
147.05009	7.2
149.01109	1.5
149.02971	22.1
149.05800	1.3
149.97223	40.0
151.04471	1.6
153.03955	2.6
154.03519	5.0
154.94141	1.9
154.97725	6.7
155.01912	37.6
156.02678	3.0
156.05006	1.4
157.01630	1.5
157.03525	9.5
158.03563	1.2
159.01404	5.4
159.03146	2.6
159.05090	3.3
160.02216	2.8
160.04619	3.2
161.02974	14.0
162.03146	2.2
162.04456	1.2
163.00900	2.9
163.02701	3.6
163.04518	4.9
167.01967	2.1
167.98283	2.9
168.05083	2.7
168.99867	3.7
169.03575	1.8
170.06674	1.7
171.01447	2.8
171.05061	2.9
171.99194	1.6
172.01547	2.5
172.95300	6.2
172.99133	18.1
173.01306	6.1
173.02972	87.6
174.03038	1.9
174.06108	2.3
175.02829	2.0
175.04541	5.4
176.04575	1.3
177.02470	3.1
178.06276	1.1
181.52658	1.1
181.98900	1.1
182.03012	2.2
184.02214	2.6
185.03033	9.2
186.03195	2.3
187.00867	6.3
187.02776	3.5
187.04521	3.2
189.02458	3.9
189.07799	1.0
190.00137	2.3
190.02649	1.7
190.96350	3.3
190.98651	4.6
191.00372	16.8
191.02248	4.3
191.03922	13.1
191.05618	1.8
196.00943	12.5
196.02693	2.1
196.04530	12.5
196.06071	1.1
196.09727	3.0
197.03014	3.9
199.04503	2.6
201.02454	1.9
203.04030	5.4
205.04359	4.3
208.99747	1.3
209.03180	2.0
214.02061	7.1
214.05608	1.6
215.00398	3.0
215.04056	2.6
217.02045	1.4
217.05603	3.3
219.03674	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.04
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47629	0.9
53.03942	1.5
53.17987	1.2
54.93828	1.2
55.01877	6.4
55.05526	2.6
56.96568	26.0
57.03439	28.3
57.81942	0.9
58.03760	1.4
58.99871	6.2
59.05009	2.6
59.99929	1.2
60.40318	0.9
61.02927	16.1
64.07824	1.0
67.01856	1.4
67.05505	2.9
68.02666	2.6
68.98299	1.3
69.03435	15.9
69.07057	1.6
69.42744	8.1
69.96177	12.5
70.03776	1.1
70.98123	4.6
70.99860	3.4
71.01357	1.5
71.04997	6.4
71.94100	3.0
73.02923	15.0
77.00908	5.5
80.03690	1.1
81.03420	9.3
82.01448	7.0
82.99847	1.8
83.04986	5.5
85.02914	15.8
85.06463	1.1
86.03683	5.4
86.99335	1.7
87.04472	2.0
88.02697	2.6
88.99171	1.8
89.00888	3.1
89.06042	1.6
91.02413	1.6
93.01891	1.5
95.01328	3.7
95.01910	1.7
95.03454	2.2
95.05013	1.2
96.01662	1.4
97.01427	1.0
97.02866	7.4
98.97591	6.0
99.04479	5.8
100.00102	2.4
100.02486	33.7
100.05257	4.1
101.00885	28.9
101.02602	4.6
102.00994	1.8
102.02360	2.4
103.00641	1.1
103.01360	1.5
103.02436	3.3
105.00378	3.1
109.03138	4.1
110.03188	1.0
110.44040	1.1
110.97593	1.7
110.98766	1.8
111.02941	4.6
111.04459	3.2
111.52957	1.5
112.02771	1.1
113.00885	15.1
113.02403	8.1
113.06007	1.1
115.02431	11.9
116.03997	1.5
116.98639	4.0
117.02164	2.5
117.02919	2.4
118.00404	1.3
118.01184	6.3
118.03545	24.5
119.01929	100.0
119.03677	4.6
120.02024	4.3
120.03443	2.5
121.01643	3.2
121.03382	1.7
123.01459	1.5
126.02544	1.2
126.98809	2.7
127.02411	2.2
127.04200	9.0
127.54286	1.2
128.98615	2.8
129.03946	5.5
131.01913	84.3
131.52638	1.1
131.96153	46.0
132.01993	3.2
132.05101	3.0
133.01711	3.2
133.03462	17.3
134.03497	1.2
135.03149	3.3
136.04742	21.8
136.54823	1.8
137.00906	1.2
137.02982	17.0
139.02385	1.8
141.01381	1.5
142.01143	1.4
142.03552	7.6
143.00201	1.3
143.01898	7.6
144.03633	2.7
144.99849	11.3
145.01593	2.1
145.02464	1.3
145.03461	20.9
145.05228	1.3
146.01358	1.6
146.03516	1.6
146.99660	4.4
147.01433	3.7
147.03116	2.4
147.05032	9.7
149.02954	17.0
149.97208	72.4
150.01791	1.7
150.03185	1.4
150.96817	1.6
151.04539	3.1
153.03987	2.4
154.03418	4.8
154.04655	2.1
154.94223	4.0
154.97722	12.5
155.01895	33.2
155.03729	1.3
156.02667	3.1
156.05060	2.6
157.01640	1.7
157.03490	10.0
158.99792	1.8
159.01433	7.7
159.03246	2.5
159.05040	4.0
160.02063	1.7
161.02965	13.9
162.04570	1.6
163.00929	2.5
163.02698	2.5
163.04506	3.3
167.98203	6.7
168.05005	1.8
168.99915	2.2
169.03406	1.9
170.04959	1.3
170.06589	1.8
171.01476	3.8
171.05080	2.2
172.01558	2.6
172.04611	2.1
172.95303	5.5
172.99037	31.6
173.01311	7.1
173.02962	82.3
174.06149	1.8
175.04555	4.9
177.00883	1.7
177.02406	2.8
177.06128	1.5
178.06210	1.4
182.02904	2.1
182.04472	1.2
184.02263	2.2
184.04677	2.6
185.02966	7.3
186.03200	1.8
187.00890	5.0
187.02744	2.4
187.04625	1.4
189.02563	2.4
190.02557	2.4
190.96387	3.1
190.98633	6.3
191.00389	18.3
191.02263	7.5
191.04044	18.2
191.05675	1.7
196.00955	18.3
196.02727	1.5
196.04553	12.5
196.09720	2.4
196.17191	1.5
196.91826	1.9
197.02954	2.7
199.04532	1.8
203.03967	7.3
205.04419	3.3
208.99733	1.7
210.02596	1.1
214.01944	9.2
214.05609	2.1
215.00409	2.2
215.04044	1.5
217.05609	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	195.1746
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
52.52790	2.4
55.05515	22.1
57.07074	7.3
62.77127	1.9
67.05520	10.4
68.18731	2.0
69.03427	3.1
69.07077	27.4
69.59245	2.2
70.05591	10.0
70.82236	2.1
71.04988	6.4
79.05499	13.8
81.07065	43.1
83.08623	18.7
85.06548	4.7
89.03925	4.1
89.06039	3.1
91.05471	8.5
93.07053	26.0
95.04951	4.8
95.08614	63.4
96.16625	2.2
97.06518	3.9
97.10177	7.0
99.08107	16.7
105.07030	2.6
107.08601	47.0
109.02853	3.1
109.10190	14.9
111.00870	2.4
111.04435	3.6
111.08077	7.0
111.11727	3.0
113.09634	6.3
117.03378	5.0
119.08569	3.2
121.10155	69.8
121.11031	4.4
123.11655	2.6
125.09641	5.9
130.96330	3.6
133.02852	2.4
135.04416	4.7
135.08052	2.8
135.11707	19.1
137.09673	3.6
137.13283	15.3
139.11212	4.5
145.02893	10.6
148.97368	6.1
149.05986	6.2
149.09644	2.7
149.13246	7.9
149.77077	2.0
153.97934	2.9
163.03920	51.4
165.06992	4.9
167.08539	3.0
169.91277	2.1
177.05464	15.0
177.12866	4.7
177.16396	100.0
180.09328	6.4
195.02924	6.7
195.06572	3.7
195.08655	3.7
195.11719	9.3
195.13829	5.0
195.15750	4.3
195.17450	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	195.1745
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03928	1.7
55.01852	1.1
55.05299	1.0
55.05514	12.1
56.96563	1.0
57.07067	4.6
65.03955	1.1
65.78225	1.1
67.05507	9.0
69.06717	1.9
69.07069	23.0
69.54565	7.5
71.04991	5.9
79.05489	11.2
80.38486	1.0
81.07057	43.0
83.04958	1.3
83.08616	15.8
85.06534	4.2
89.03896	1.6
91.05475	4.7
93.07048	24.6
95.04971	1.4
95.08610	60.9
95.95036	0.9
97.10172	6.1
98.20695	1.0
99.08109	6.8
105.07011	4.0
107.08601	50.7
109.06514	1.3
109.10170	14.1
113.09681	4.8
117.03384	3.5
119.08593	1.9
121.06539	1.1
121.10147	68.3
123.11718	2.5
125.09660	5.3
130.06546	1.0
135.04474	1.7
135.08093	1.1
135.11691	19.5
137.13254	19.7
138.06683	1.9
139.11215	1.8
145.02832	8.6
147.04410	1.5
149.05988	2.7
149.13252	7.8
163.03851	1.6
165.07004	1.7
166.07802	1.6
167.07246	1.1
167.08609	6.1
175.14355	1.0
177.05487	8.4
177.16391	100.0
178.16829	1.1
180.09381	1.4
195.02892	1.8
195.06462	2.4
195.08527	1.1
195.11719	2.6
195.13846	1.6
195.15770	1.4
195.17467	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	195.1747
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
50.15982	1.5
55.01877	19.5
55.05516	44.1
57.03439	2.7
57.07071	7.9
57.62617	2.3
59.04997	4.4
59.74661	1.7
65.03918	2.1
67.05506	24.5
68.60504	1.8
68.96345	3.1
68.99805	2.6
69.03440	17.3
69.07076	61.2
70.94239	3.0
71.04988	7.2
71.56466	2.6
79.05503	23.0
81.03403	6.1
81.07068	51.3
83.04985	15.3
83.08630	17.4
84.08169	2.1
85.06556	14.9
89.03914	5.7
89.06013	1.9
91.05472	12.5
93.07053	52.1
95.04994	6.0
95.08053	3.7
95.08620	62.2
97.02897	1.9
97.06536	6.3
97.10183	15.6
99.08101	100.0
103.05486	2.5
105.07046	10.2
107.04987	4.2
107.08606	51.8
109.06539	2.9
109.10156	17.4
109.98952	4.3
111.04432	5.1
111.08095	69.1
111.11716	5.2
113.09660	4.4
117.03391	16.2
117.06969	2.9
119.08633	3.6
121.02905	2.8
121.06538	9.0
121.10155	54.4
123.11705	5.0
125.06010	3.1
125.09647	20.2
127.99931	2.9
130.96335	6.7
131.08600	5.6
133.10135	5.1
134.03627	2.4
135.04510	2.5
135.08061	4.7
135.11711	38.2
137.05968	2.4
137.13278	16.2
138.06657	6.1
139.07593	2.6
139.11191	13.6
145.02837	23.4
147.88261	2.1
148.97360	13.6
149.06020	10.4
149.09575	4.6
149.13249	12.0
149.97237	5.7
153.12770	2.4
153.97943	5.7
159.11729	7.7
163.03937	5.5
165.07011	8.1
167.08629	5.8
167.10771	2.1
167.14325	2.3
171.98962	9.4
177.05463	29.4
177.06860	3.1
177.09152	6.1
177.12851	9.4
177.16396	57.7
180.09320	7.6
195.02928	8.7
195.06502	7.7
195.08501	13.3
195.10197	3.2
195.11807	11.4
195.13803	5.4
195.15775	5.9
195.17491	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	195.1745
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
54.17455	2.8
55.05513	17.6
57.07066	5.9
67.05498	7.6
68.59666	2.8
69.03435	36.0
69.07070	29.3
70.69431	8.6
70.86897	2.8
71.04990	4.6
79.05502	8.6
81.07073	39.5
83.08613	9.5
84.84953	2.8
85.06548	5.0
91.05491	3.4
93.07056	24.7
95.08620	60.0
97.10159	5.2
99.08103	45.1
105.07037	4.0
107.08603	40.5
109.10157	12.8
110.34570	2.8
111.08083	4.6
111.11733	6.1
121.10152	58.7
123.11780	3.0
125.09644	100.0
135.11710	20.7
137.13281	17.4
139.11227	3.4
177.05461	3.7
177.16406	63.2
195.17459	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	195.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
55.01879	1.2
55.05511	10.3
57.03419	0.9
57.07069	3.3
59.04987	0.5
67.05227	0.5
67.05513	6.4
68.96304	0.6
69.03432	32.0
69.07069	25.3
69.36105	4.2
71.04997	4.8
79.05502	7.6
81.07061	26.6
83.04984	2.4
83.08623	8.6
85.06551	5.1
91.05489	3.1
93.07051	14.7
95.04942	0.8
95.08611	31.2
97.06540	1.2
97.10173	3.0
98.21504	1.0
99.08097	33.7
105.07034	2.3
107.08601	26.8
109.10160	7.5
111.08083	3.6
111.11743	4.4
113.09639	1.9
117.03381	1.1
119.08588	1.1
121.06522	0.6
121.10149	31.2
123.08054	0.9
123.11726	4.0
125.09634	100.0
130.96347	0.6
131.08588	0.8
133.10153	1.1
135.04454	0.6
135.08061	1.1
135.11705	13.9
137.13255	11.1
139.11163	1.6
145.02867	1.3
148.97388	0.7
149.05966	0.8
149.13245	2.6
151.14806	0.9
153.97859	0.5
163.03923	0.8
165.07007	0.7
177.05460	1.8
177.12828	2.3
177.16394	36.1
178.16698	0.7
195.02928	0.7
195.06480	0.6
195.10284	0.6
195.11777	0.6
195.13809	0.8
195.17456	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	195.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.4
53.74244	1.6
54.27261	1.6
55.01870	2.0
55.05512	20.3
57.07072	4.1
62.43594	1.7
67.05512	11.4
69.03433	32.6
69.07069	37.4
71.05003	7.7
71.08631	1.6
71.17516	3.1
79.05502	10.8
81.07057	45.7
82.31281	1.8
83.04970	3.2
83.08613	14.0
85.06532	7.4
87.85871	1.5
91.05486	3.9
93.07050	27.4
95.08611	55.9
97.06535	1.8
97.10174	7.7
99.08089	44.2
105.07032	4.3
107.07870	2.5
107.08598	46.1
109.10164	15.5
111.08088	5.7
111.11721	7.9
121.10150	62.6
123.11737	4.8
125.09637	100.0
126.10006	1.8
135.11696	21.6
137.13268	27.7
139.11191	2.6
149.13274	6.7
149.70418	1.8
153.09132	1.6
158.76891	1.8
177.05560	2.5
177.16394	70.7
195.17447	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1746
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
55.01866	7.4
55.05299	2.2
55.05515	26.9
55.76355	2.0
57.07066	7.7
59.04979	2.2
60.24998	1.9
67.05501	9.6
69.03428	20.9
69.07073	57.4
69.45103	12.6
69.45512	5.0
71.05008	10.3
79.05481	12.5
79.70046	2.0
81.07070	45.3
83.04975	2.0
83.08621	20.0
85.06543	8.9
88.82391	1.9
91.05474	5.6
93.07047	28.5
95.08614	71.7
97.10194	14.5
99.08097	88.1
105.07029	3.8
107.08604	63.4
109.10162	16.3
111.08097	23.8
111.11732	6.4
113.09645	5.1
121.10154	84.6
123.11712	9.2
125.09637	57.4
135.11707	21.4
137.13268	28.3
139.11157	7.0
145.02866	2.0
149.13232	5.7
170.59793	2.4
177.16396	100.0
195.17477	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.1
55.01869	5.9
55.05519	25.0
57.03441	2.9
57.07074	8.9
57.34788	2.0
59.05022	3.2
67.05511	20.1
68.07853	1.8
69.03437	14.0
69.06718	3.6
69.07075	56.6
69.53471	12.7
70.08524	2.1
70.37995	2.0
71.05009	9.4
71.08683	2.0
79.05502	28.5
81.03407	3.0
81.07062	66.8
83.04984	2.5
83.08624	23.3
85.06544	9.8
89.03933	2.1
91.05469	13.6
93.07051	53.4
95.04992	4.0
95.08613	85.1
97.06533	3.9
97.10161	16.4
99.08099	62.5
105.07050	7.7
105.48268	2.2
107.08602	69.6
109.06500	3.2
109.10163	20.4
111.08095	20.9
111.11715	5.4
112.38822	2.3
113.09660	6.0
114.11492	1.9
117.03403	7.3
117.07014	2.9
119.08586	2.9
121.06532	4.6
121.10149	89.3
121.11033	4.5
123.08053	2.6
123.11716	7.7
125.09642	43.1
125.23192	1.9
130.96303	3.0
131.08577	3.3
133.10144	4.2
135.08055	5.0
135.11705	50.4
137.13268	26.9
139.11172	6.2
145.02827	10.4
148.97365	4.0
149.06024	4.4
149.09637	2.4
149.13297	10.7
159.11671	3.9
163.03900	2.2
165.06995	2.3
177.05511	13.8
177.09169	2.9
177.12856	12.7
177.16399	100.0
178.07863	2.2
195.02928	4.9
195.06589	4.0
195.08714	6.2
195.11729	4.4
195.13777	5.8
195.17456	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1745
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03956	1.7
55.01871	4.4
55.05268	1.6
55.05513	25.8
57.03439	1.4
57.07080	7.0
67.05500	12.2
69.03124	1.6
69.03433	17.7
69.07069	46.2
71.05009	6.1
79.05503	13.7
81.03386	1.5
81.07060	44.8
83.04982	3.7
83.08619	19.6
85.06540	7.7
89.03925	2.6
91.05478	9.8
93.07053	29.0
95.04967	3.5
95.08611	72.9
97.02885	1.9
97.06519	2.7
97.10180	13.7
98.20709	2.8
99.08094	64.8
105.07011	7.0
107.04972	1.4
107.08598	57.3
109.02864	1.3
109.06512	1.7
109.10162	17.4
109.98928	1.5
111.08092	14.8
111.11718	5.3
113.09660	8.4
117.03391	5.1
119.08604	1.3
121.06525	2.7
121.10145	81.6
123.08098	2.3
123.11700	6.8
125.08750	2.5
125.09638	43.4
130.96327	2.2
131.08572	2.3
133.10112	2.8
135.04402	3.3
135.08058	3.0
135.11688	29.4
137.13257	26.8
138.06593	1.6
139.11180	6.2
139.91754	1.3
145.02847	9.3
148.97385	2.2
149.05997	3.6
149.09604	3.2
149.13316	7.7
151.07532	2.6
153.05489	1.4
153.97942	2.3
156.50931	1.3
162.36823	1.3
163.03874	1.8
171.99017	1.3
177.05490	13.0
177.09082	4.2
177.16391	100.0
178.04988	5.6
195.02858	2.7
195.06461	3.0
195.08469	2.1
195.10196	3.0
195.13809	1.8
195.15846	1.7
195.17451	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03946	1.5
55.01868	0.9
55.05526	1.2
57.03432	0.8
57.07065	0.9
62.39660	0.6
63.02387	0.6
65.03941	1.3
67.05508	2.0
67.06819	0.5
68.96339	0.9
68.99799	0.9
69.03437	1.2
69.07077	1.0
70.94257	0.9
71.04987	1.1
71.17236	0.9
71.17589	1.0
78.04714	1.7
79.05499	6.2
81.03423	2.2
81.07047	3.2
83.04984	1.7
85.02910	0.9
85.06538	0.9
89.03918	28.2
91.05483	7.7
93.03394	1.5
93.07051	5.6
95.04968	3.4
95.08618	1.8
97.02903	1.3
97.06546	1.0
100.54400	0.5
103.05473	6.1
105.07038	2.0
106.04166	1.9
107.04955	2.8
107.08595	5.1
109.02888	1.0
109.06519	0.8
109.10101	0.5
109.98964	1.2
110.07115	0.5
111.04452	3.5
111.60023	0.5
117.03384	54.7
119.04961	0.7
119.08604	0.7
121.06516	7.5
121.10158	3.1
123.08070	0.9
125.05973	3.8
125.09613	0.7
130.96324	2.4
131.04938	3.5
131.08569	2.0
133.10138	1.4
134.03638	8.9
135.04410	9.0
135.08078	4.8
135.11678	4.6
137.05981	1.0
138.06633	2.2
139.03915	0.7
145.02849	94.0
148.97350	2.7
149.05984	37.8
149.09618	6.7
151.07515	1.3
153.01817	1.0
153.05489	5.5
153.09065	0.7
153.97865	1.0
158.06018	0.7
159.11705	1.2
160.53702	0.5
162.03140	2.3
163.03915	10.5
163.07567	0.6
167.07062	0.8
171.02951	0.7
171.99008	1.6
177.05473	100.0
177.08975	2.4
177.16429	0.8
186.05551	1.3
195.02908	4.8
195.06497	4.7
195.08583	3.0
195.10226	2.2
195.11705	0.8
195.13765	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03945	4.6
55.01870	4.7
55.05515	16.1
57.03435	5.3
57.07080	3.7
60.50049	1.7
63.15223	1.4
65.03936	4.1
65.75095	1.3
67.05511	56.2
68.96329	2.3
69.03419	2.7
69.07070	19.2
69.40571	9.2
69.40981	2.5
71.01366	2.3
71.04996	8.0
73.02920	2.6
79.05495	41.8
81.03432	13.5
81.07063	100.0
83.04983	18.2
83.08627	13.4
85.06562	6.3
89.03922	4.3
89.06023	2.4
91.05479	25.0
93.07055	72.9
95.04990	9.8
95.08617	46.0
97.06536	12.7
97.10178	2.1
98.20740	3.0
99.04430	1.9
99.08096	4.8
105.07041	12.0
107.04960	4.3
107.08594	26.8
109.06510	4.6
109.10165	6.3
109.98956	1.9
111.00780	4.3
111.04457	1.8
111.08100	8.7
117.03377	10.4
117.07014	12.2
119.08596	4.6
121.06503	6.2
121.10187	13.0
123.08028	1.7
125.09665	3.6
130.96281	3.2
131.08588	14.4
131.96169	2.4
133.10149	16.0
135.04434	2.5
135.08072	6.2
135.11708	35.1
137.09509	1.8
138.06577	3.7
139.11223	2.0
145.02834	15.2
148.97385	6.9
149.05975	6.4
149.09645	5.2
149.13287	22.4
149.97217	4.4
151.11163	1.7
152.06152	1.9
153.97878	2.7
159.11697	22.1
163.03908	6.9
165.06978	6.3
167.08594	4.4
171.98943	4.3
177.05487	25.1
177.09154	2.3
177.12788	16.2
177.16484	2.9
180.09355	6.2
188.57416	1.5
195.02969	8.4
195.06467	5.8
195.08339	10.9
195.10202	3.3
195.11734	8.3
195.13823	20.7
195.15695	4.3
196.17047	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	beta-Ionone
Peak:m/z	Relative Intensity
53.31664	0.8
54.89680	0.6
55.01872	1.2
55.05515	10.6
57.07077	2.5
59.05007	1.9
65.03944	1.7
67.05506	11.0
69.03428	1.1
69.07074	27.2
71.04996	16.1
71.57391	1.1
79.05497	9.2
79.34719	0.6
81.03443	1.0
81.07066	23.0
83.04971	1.7
83.08612	4.2
85.06545	10.2
91.05476	8.6
93.07054	24.3
95.04978	36.4
95.08610	20.5
97.06548	3.6
97.10179	8.5
99.08086	4.0
105.07037	12.7
107.07867	1.7
107.08601	34.1
109.06527	100.0
109.10165	17.3
110.06845	0.9
111.08078	5.2
111.11701	3.6
119.08590	27.9
121.10130	9.3
123.04456	0.7
123.08088	7.4
123.11713	18.3
126.38017	0.7
129.07030	0.9
131.08562	1.0
133.02844	1.3
133.06554	1.1
133.09119	0.9
133.10139	26.3
135.11708	33.3
137.06001	1.3
137.09616	13.7
143.21318	0.7
145.10129	1.4
146.97452	2.9
147.08084	0.9
147.11711	5.4
149.02371	5.1
149.05992	0.9
149.13271	9.2
150.10493	0.9
151.11205	6.3
151.14832	1.9
160.12511	1.0
161.05939	1.1
166.08557	0.8
169.99048	1.6
175.14842	35.8
178.02623	0.8
178.07784	1.2
193.04941	6.7
193.06616	1.1
193.08524	0.7
193.10170	1.4
193.12206	3.6
193.15894	61.0
194.15448	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
51.50615	1.4
51.83306	1.5
53.03936	3.4
54.05902	1.4
54.15175	1.9
55.05268	1.7
55.05515	25.7
57.07067	7.0
59.04994	7.1
66.91691	1.4
67.05170	3.1
67.05507	42.8
69.03410	4.7
69.07072	16.2
69.18641	1.4
71.04979	4.3
71.08617	1.6
71.13664	2.1
71.17383	1.4
72.83264	1.7
79.05501	12.2
81.07068	28.2
83.04988	15.2
83.08614	6.2
85.06552	26.8
87.70050	1.5
91.05494	10.8
93.07047	48.4
95.04973	5.0
95.08608	37.9
97.06495	2.1
99.08099	73.6
105.07029	14.4
107.08599	42.8
109.06516	12.1
109.10162	93.1
111.08097	6.1
119.08589	19.5
121.10148	21.2
121.11015	2.2
123.08081	9.7
123.11694	12.8
125.09635	2.2
131.08568	1.4
133.10139	44.2
135.11699	53.0
137.09618	38.7
138.10426	1.8
147.11673	5.5
149.13245	3.9
151.11172	9.8
151.14809	7.9
159.26427	1.7
165.16388	5.9
175.13484	2.3
175.14857	24.0
192.40050	1.5
193.15897	100.0
194.16039	1.9
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	gamma-Ionone
Peak:m/z	Relative Intensity
53.03917	2.3
55.05516	30.3
57.03377	1.9
57.07083	10.0
59.04991	6.5
67.05512	43.7
69.03423	6.6
69.07067	17.7
70.69677	2.1
70.69993	4.3
71.04998	4.1
79.05502	14.3
81.07069	33.9
83.04993	16.9
83.08618	9.1
85.06555	24.1
91.05490	9.4
93.07047	41.7
95.04961	5.8
95.08616	47.1
95.22513	2.3
99.08104	58.5
105.07044	18.2
107.08607	49.0
109.06536	14.5
109.10165	97.8
111.08080	5.4
119.08595	37.5
121.10153	32.4
122.07315	2.0
123.08070	24.1
123.11724	12.5
133.10149	50.0
135.11702	80.2
137.08638	3.9
137.09627	42.5
147.11700	5.6
149.13312	10.7
151.11172	11.0
151.14818	4.5
165.16400	6.1
173.13237	2.4
175.14856	31.3
193.15903	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
55.05496	4.5
57.07066	3.0
60.08131	1.4
67.05506	9.1
69.07066	10.9
69.42792	11.4
71.04977	6.1
77.35136	1.7
79.05489	8.6
81.07063	22.4
83.04961	1.4
83.08609	2.8
85.06525	1.9
91.05480	10.8
93.07049	26.9
95.04928	3.0
95.08611	36.0
97.06502	1.6
99.08106	3.6
105.06401	1.5
105.07041	22.4
107.08603	37.1
109.06487	7.3
109.10165	24.2
113.09657	3.5
115.05474	1.5
117.89123	1.4
119.08588	64.8
121.10151	9.9
123.08064	8.9
123.11723	9.3
131.08586	1.8
133.10136	100.0
135.11700	82.9
137.09618	14.1
147.11670	7.9
149.13235	1.7
151.11171	3.1
175.14833	67.4
193.04955	2.3
193.15878	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	193.1589
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03946	1.3
55.05511	4.5
57.07078	2.0
67.05500	9.0
67.58891	0.7
69.07066	5.0
69.24356	0.8
70.82288	1.1
71.05000	3.6
79.05489	8.0
81.07056	16.8
83.08616	1.9
83.29936	0.7
85.06532	1.9
91.05482	11.2
93.07046	26.5
95.04974	2.6
95.08611	14.0
97.06535	1.4
99.08099	1.6
102.63349	0.7
105.07030	13.9
107.08595	44.7
109.06522	5.1
109.10158	12.4
111.08087	2.2
116.75730	0.7
117.07064	1.1
119.06121	0.8
119.08582	29.5
121.10147	6.3
123.08070	11.2
123.11716	5.3
127.07540	2.2
131.08560	1.7
133.10129	50.7
135.11691	100.0
136.12056	1.4
137.09615	22.8
145.10071	1.6
147.11690	6.1
149.13292	1.0
151.11188	4.1
155.10600	0.9
175.14827	54.7
189.13914	0.7
193.05061	0.8
193.15881	47.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
50.13257	2.3
53.03934	3.4
53.49701	2.4
55.05513	26.1
57.07063	7.7
59.04995	6.7
65.03921	3.5
67.05507	44.8
69.03432	3.6
69.07076	27.0
69.25069	9.2
69.25488	14.0
71.04983	6.9
71.08614	3.9
79.05504	15.3
81.07060	46.3
83.05007	11.7
83.08601	7.3
85.06556	18.2
85.84003	2.4
87.54189	2.4
91.05479	17.3
93.07046	57.6
95.04958	6.0
95.08607	50.2
99.08097	49.8
105.07027	28.9
107.08601	63.5
109.06529	21.3
109.10159	99.2
111.08065	7.4
119.08582	43.4
121.10163	17.5
123.08074	30.0
123.11715	24.4
125.09624	4.0
131.08499	2.6
133.10133	50.7
135.11699	93.6
137.09622	35.0
137.13242	9.0
138.10431	7.1
139.11220	3.2
147.11696	10.2
149.13239	4.0
151.11226	14.9
151.14819	5.4
165.16397	11.7
175.14806	36.9
193.04968	4.4
193.15894	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03939	3.5
53.53813	1.8
55.05515	18.7
57.07065	4.2
59.04998	4.5
60.31836	2.3
67.05508	28.7
69.03437	3.4
69.07071	19.4
70.82436	2.2
70.82754	3.3
71.04996	5.2
71.08603	1.9
74.07325	1.9
76.61379	1.8
79.05492	11.3
81.07066	39.0
83.04979	8.5
83.08615	5.7
83.18329	1.6
85.06545	7.6
85.10195	3.1
91.05482	15.0
93.06466	3.5
93.07052	44.5
95.04965	6.5
95.08609	37.5
97.06530	4.2
98.20815	2.1
99.08090	7.4
105.07045	22.2
107.08606	52.8
109.06527	14.6
109.10166	71.7
111.08083	4.5
119.08588	32.8
121.10152	19.7
122.07289	2.3
123.08080	25.9
123.11713	18.6
131.08545	1.7
133.10143	56.2
135.11705	100.0
136.12016	4.4
137.09622	27.7
137.13249	7.3
138.10403	6.9
139.11052	2.7
147.11707	5.1
149.13290	6.9
151.11162	13.6
151.14803	5.1
165.16409	7.7
175.14836	39.8
193.15906	80.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.2
55.05515	17.2
57.03439	2.2
57.07063	4.4
59.04998	3.4
65.03934	1.6
67.05178	2.0
67.05510	32.1
69.03423	3.2
69.07079	19.6
70.54175	4.7
71.04989	8.0
71.08638	2.2
79.05495	11.9
81.07063	37.2
83.04985	4.7
83.08609	5.9
85.06538	7.2
91.05482	11.9
93.07049	40.0
95.04978	3.5
95.08611	45.2
97.06522	2.6
99.08086	5.6
104.06123	1.5
105.07047	21.0
105.07695	2.6
107.08597	50.2
109.06530	13.7
109.10165	86.8
111.08111	2.9
119.08588	28.2
121.10175	13.7
122.07284	2.9
123.08076	33.0
123.11713	22.9
125.09625	1.8
125.29952	1.5
131.08588	3.0
133.10141	48.8
135.11705	100.0
137.09624	39.2
137.10631	1.4
137.13266	11.9
138.10446	12.6
139.11154	3.3
147.11684	5.1
149.13271	4.4
151.11183	14.7
151.14864	7.5
165.16380	11.2
175.14838	29.7
177.00346	1.6
193.15892	87.1
194.16177	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03942	1.1
53.28068	0.8
55.05518	14.3
57.03437	1.7
57.07083	4.6
59.05006	4.7
65.03938	1.2
67.05508	32.3
69.03433	1.3
69.07081	9.4
69.86713	4.7
71.04990	1.9
71.08681	0.8
79.05499	10.5
81.07067	16.5
81.37910	0.9
83.04985	5.0
83.08626	3.5
85.06552	23.5
91.05484	7.7
93.07057	19.9
95.04977	3.6
95.08620	22.2
95.09128	0.6
97.06522	1.2
99.08102	100.0
105.07040	8.3
107.08608	25.3
109.06536	5.0
109.10166	59.9
111.08100	2.5
117.07029	0.9
119.08596	12.7
121.10149	7.6
123.08084	8.5
123.11720	6.5
125.13319	1.2
133.10147	22.4
135.08038	1.0
135.11713	26.9
137.09628	23.2
138.10382	2.5
147.11716	3.1
149.02295	1.1
149.13248	1.5
151.11179	7.0
151.14813	2.4
165.12772	0.9
165.16423	2.9
175.14864	10.2
193.04976	2.4
193.15909	63.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
52.38447	0.9
53.03920	1.5
55.01857	1.9
55.05262	1.6
55.05513	27.3
55.66926	0.9
57.07064	2.6
67.05509	38.6
69.03425	2.6
69.07069	7.0
70.53428	2.9
70.94872	0.9
71.04990	1.7
79.05497	8.0
81.03417	1.9
81.07064	18.2
83.04984	8.2
83.08605	1.6
85.06544	18.0
91.05491	23.7
93.07046	15.9
93.07611	1.4
95.04971	4.3
95.08615	28.8
97.06502	1.0
99.08100	58.3
105.07037	28.6
107.08605	16.1
109.06509	4.0
109.10165	62.2
111.08075	5.3
114.07680	1.1
116.25224	1.4
117.07025	1.2
119.07786	1.6
119.08591	20.9
121.10146	5.8
123.08092	5.0
123.11713	2.9
125.06017	1.2
125.09667	1.8
131.08612	6.3
132.32193	1.1
133.10138	100.0
134.10474	1.7
135.11688	14.5
137.06012	1.7
137.09624	59.1
139.11145	1.1
147.11713	13.1
149.13297	2.0
151.11223	6.4
151.14836	3.5
165.16385	1.0
175.11200	4.9
175.14853	10.3
180.52856	1.1
193.04984	36.7
193.12241	9.7
193.15901	57.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03935	2.4
55.01865	1.2
55.05511	20.1
57.03437	1.1
57.07075	5.4
59.04989	2.8
65.03951	1.3
67.05506	36.7
68.12000	0.8
69.03410	2.6
69.07073	9.7
69.57381	6.5
71.04983	2.5
76.76204	0.8
79.05489	12.4
81.03385	1.1
81.07059	20.1
82.32259	0.9
83.04983	7.1
83.08635	1.8
85.06064	1.7
85.06548	24.8
85.07080	1.5
87.04422	1.0
91.05482	28.2
92.05819	1.3
93.07050	27.0
95.04967	6.0
95.08612	26.4
95.09228	1.1
97.02866	1.7
97.06537	2.6
97.10125	1.2
99.08096	35.8
99.08749	1.9
103.05480	1.8
105.07030	36.4
106.07349	1.4
107.04948	1.1
107.08598	24.5
109.06533	6.4
109.10161	64.4
111.08072	2.2
111.09990	0.8
117.07037	2.5
119.04948	2.7
119.08580	28.0
120.08851	1.2
121.10133	8.9
122.03714	0.9
123.04430	1.3
123.08040	5.9
123.11680	5.0
125.09591	1.3
129.07019	1.3
131.08569	9.4
133.02847	3.3
133.06490	3.3
133.10133	100.0
134.10484	1.3
135.08073	2.5
135.11697	31.3
135.12712	2.0
137.05992	3.2
137.09625	35.8
144.41278	0.8
145.10175	1.4
147.04428	2.8
147.06290	1.2
147.08034	3.6
147.11690	16.7
149.09651	1.3
149.13280	3.1
151.07536	3.4
151.10138	1.2
151.11217	5.3
151.14809	1.4
157.10149	1.6
161.05421	1.7
165.05525	2.2
165.09198	1.0
165.16423	1.6
175.03964	2.0
175.07585	2.2
175.09831	1.2
175.11172	6.6
175.14839	15.3
178.02652	1.7
193.04968	20.2
193.06715	2.1
193.08611	3.2
193.12247	11.8
193.15904	53.3
198.40320	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	22.0
57.07067	7.6
59.05005	3.6
65.03927	2.0
67.05511	29.4
69.03430	14.0
69.07079	19.8
70.62520	5.6
70.62865	1.6
71.04987	5.5
79.05499	12.9
81.07063	34.5
83.04993	24.7
83.08617	10.7
83.69926	1.8
85.06553	5.8
91.05476	20.2
93.07056	29.9
95.04978	4.0
95.08615	65.7
96.90701	1.7
97.06561	3.1
97.10184	3.7
98.21500	1.7
99.08089	5.7
101.81216	1.7
103.05503	1.9
105.07038	32.9
107.08606	57.4
109.06535	16.8
109.10168	77.8
111.08077	11.2
111.83627	1.7
117.07022	3.3
119.08591	80.7
121.10167	34.7
123.08086	35.7
123.11725	14.3
125.09599	3.2
131.08580	3.5
133.10146	74.9
135.11705	100.0
137.09642	30.6
138.10390	3.3
145.10190	2.0
147.11703	11.6
149.02336	1.7
149.13300	20.8
150.55588	2.1
151.11191	9.3
151.14841	8.9
165.16454	3.0
169.96315	1.7
175.11240	3.9
175.14842	54.4
176.15216	1.6
193.04999	4.3
193.12254	4.2
193.15903	83.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03928	1.7
55.01860	1.6
55.05512	18.5
57.03419	1.3
57.07075	5.8
59.04987	4.2
62.94046	1.0
65.03926	2.0
67.05176	2.2
67.05507	33.1
69.07066	12.7
69.24078	12.2
71.04968	2.6
73.68153	1.1
75.40043	1.2
79.05495	12.4
81.07062	25.4
83.04984	6.6
83.08615	3.8
85.06542	23.6
85.68049	1.1
91.05486	10.3
93.06469	1.8
93.07047	29.1
95.04967	6.6
95.08611	24.7
97.06538	2.3
99.08096	100.0
105.07027	13.7
107.07860	2.2
107.08596	36.4
109.06528	8.0
109.10161	73.3
111.08103	2.0
119.07800	1.4
119.08589	19.4
121.10136	11.0
122.03664	1.5
123.08099	10.2
123.11725	9.5
127.07565	1.3
131.08554	1.9
133.02827	4.9
133.10135	36.7
135.11700	46.2
135.67894	1.3
137.09628	26.3
137.13220	2.5
138.10381	2.3
147.11716	3.7
149.02339	3.0
149.13239	3.0
151.11188	13.1
151.14819	2.0
165.16408	3.2
175.14825	21.0
178.02563	2.3
185.75995	1.2
193.04985	27.6
193.08598	1.3
193.15897	81.9
194.16359	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.1
54.41740	1.3
55.01880	1.9
55.05518	30.8
57.03420	2.7
57.07061	6.1
57.84912	1.2
59.05014	7.5
64.49668	1.4
65.03925	1.9
67.05510	55.2
69.03430	2.4
69.07073	15.5
70.53529	4.5
71.04984	5.2
79.05489	11.2
81.03402	1.9
81.07062	27.8
83.04981	12.1
83.08617	6.5
83.97083	1.4
85.06549	19.7
91.05486	14.0
93.07056	31.1
95.04962	6.1
95.08614	46.9
99.07477	2.9
99.08102	46.6
105.07040	21.4
107.08601	37.8
109.06538	11.2
109.10165	100.0
111.08080	6.5
117.06988	2.4
119.08591	33.8
121.10155	16.9
123.08076	16.1
123.11694	12.6
131.08562	2.0
133.09123	1.7
133.10143	45.3
135.11705	52.5
135.27484	1.5
137.09624	82.7
137.13264	2.7
138.10367	4.7
145.10136	1.8
147.11697	7.1
149.09604	1.9
149.13254	5.2
150.10431	2.9
151.11198	10.7
151.14799	5.1
165.16437	4.2
175.11169	1.9
175.14844	26.4
193.04956	5.6
193.15898	99.4
199.85066	1.6
211.37227	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26569	10.2
55.51714	10.2
67.02977	19.4
68.05022	22.4
69.99334	12.6
71.56754	13.9
83.06112	13.5
108.05582	25.5
109.07664	15.3
110.07160	41.2
118.06547	13.4
125.08270	70.0
126.06667	54.0
147.06760	18.6
149.08258	46.0
150.09064	14.9
150.10280	29.4
151.09801	34.1
175.09761	12.9
192.06569	33.3
192.08461	45.4
192.10226	39.8
192.12411	77.8
192.13852	16.0
192.17477	100.0
202.72371	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	193.1225
Annotation	Ibufenac
Peak:m/z	Relative Intensity
51.02374	0.7
53.03941	2.5
55.01867	2.0
55.05509	8.9
56.39669	0.6
57.03429	1.4
59.04988	0.7
65.03933	0.8
66.96853	0.6
67.05509	6.4
69.07078	3.5
70.35277	1.3
70.35640	1.4
71.04995	4.8
77.03903	0.7
79.05497	11.2
81.07063	7.5
83.05009	3.3
85.02905	2.0
85.06536	1.3
87.04477	1.7
91.05487	55.9
93.07050	29.4
95.04989	4.2
95.08614	2.7
97.06530	0.8
99.04427	1.1
99.08109	0.8
103.05476	1.2
105.04523	1.4
105.07036	76.9
107.08611	5.5
109.06529	3.3
109.10169	2.9
115.05446	1.4
116.06219	0.7
117.07015	3.8
119.08587	59.1
123.08048	0.6
123.11750	0.8
128.06261	1.0
129.07013	17.1
131.08577	17.7
133.02808	0.7
133.06502	2.0
133.10136	100.0
134.10403	0.8
135.11678	1.4
137.09666	1.0
142.07756	3.3
145.10146	1.5
147.08073	2.6
147.11694	28.3
151.07555	0.9
157.10143	9.6
175.11197	24.9
175.12738	1.4
175.14825	1.6
176.11409	0.6
193.05037	2.2
193.12265	12.4
193.15897	3.4
203.72583	0.6
206.22533	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03942	1.0
53.52123	0.8
55.05507	4.2
57.03431	1.1
57.07068	1.2
59.04998	0.9
65.03931	1.0
67.05507	11.9
69.03428	5.8
69.07066	9.3
71.03408	1.8
71.04995	12.3
79.05509	9.4
81.07059	11.1
81.77084	0.8
83.04983	1.9
83.08629	1.9
85.06546	8.1
86.21334	0.7
91.05476	17.3
93.07043	18.1
93.34811	0.9
95.04961	6.7
95.08612	16.8
97.06538	15.7
99.52114	0.8
103.05450	1.0
105.07029	26.3
107.04952	2.5
107.08598	40.3
109.06518	10.1
109.10156	13.4
111.08079	4.1
113.39507	0.8
115.05480	1.3
116.06248	1.0
117.07048	4.6
119.08588	13.0
121.06519	3.8
121.10141	35.8
123.08070	4.6
129.07027	2.8
130.07761	1.0
131.08574	24.6
133.10135	37.3
135.08054	25.7
135.11652	4.7
143.08575	4.5
144.09355	1.4
145.10118	12.6
147.07980	1.1
147.11688	18.4
149.09634	5.3
149.13254	19.6
158.10890	8.9
161.09653	1.4
163.11176	3.1
163.14743	1.7
173.09636	1.2
173.13269	34.2
176.08290	0.9
176.11902	1.1
191.03468	0.9
191.10707	7.3
191.14311	100.0
191.17957	3.1
192.14682	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	4.2
57.07055	1.8
57.30148	1.2
58.94805	1.2
59.04997	1.5
67.05506	11.6
67.67081	1.3
69.03438	17.3
69.07068	11.2
69.70493	4.5
69.70903	2.6
70.22560	1.2
71.05010	7.1
79.05493	8.7
81.07062	14.3
83.04992	6.6
83.08623	3.1
85.06547	2.7
88.41111	1.2
91.05488	13.5
93.07043	18.3
95.04971	4.2
95.08067	1.3
95.08619	16.0
97.03050	1.3
97.06558	10.2
103.05436	1.6
105.07040	22.1
107.04958	4.0
107.08596	33.3
109.06512	9.2
109.10177	12.4
111.08076	3.2
115.05514	1.4
115.91242	1.3
116.06234	1.9
117.07021	6.7
119.08587	13.2
121.06535	6.6
121.10148	25.1
123.08078	6.8
129.07024	3.1
130.07782	2.7
131.08565	21.4
133.10141	20.7
135.04488	1.5
135.08063	25.9
135.11685	13.6
143.08568	6.0
144.09373	2.0
145.10121	17.0
146.80724	1.2
147.11716	8.1
149.05920	1.4
149.09627	8.9
149.13269	13.1
158.10898	8.1
161.05952	1.5
161.09665	1.5
163.11169	5.5
163.14851	4.7
173.09644	5.7
173.13281	34.3
176.08430	1.8
176.12070	1.3
191.03473	1.6
191.06999	3.4
191.10672	18.9
191.14316	100.0
191.17943	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	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93598	1.0
55.01866	1.4
55.05505	5.0
57.03445	1.2
57.07075	1.7
59.05005	1.2
67.05505	13.0
69.03426	5.9
69.07064	8.2
71.04996	15.6
79.05497	9.9
81.07055	11.3
83.04980	3.0
83.08607	1.6
85.06537	7.7
91.05465	13.7
93.07044	18.2
95.04974	5.6
95.08609	16.1
97.06532	9.6
105.07028	26.6
107.08595	37.1
109.06531	15.9
109.10162	31.7
111.08095	3.6
114.55778	1.0
115.05447	2.4
116.06205	1.8
116.67131	1.0
117.07056	5.3
119.08571	12.8
121.06496	3.8
121.10147	32.1
123.08078	8.5
129.06990	3.1
131.08568	28.5
133.10121	24.9
135.08057	35.2
135.11670	4.4
143.08572	3.6
144.09291	1.7
145.10107	10.6
147.08061	2.2
147.11687	14.0
148.08736	1.2
149.09634	7.7
149.13263	14.2
157.62460	1.0
158.10921	9.9
158.12160	1.6
161.09657	2.3
163.11182	2.3
163.14857	2.4
173.09758	1.7
173.11737	1.9
173.13263	34.0
176.11958	1.9
191.10724	6.7
191.14308	100.0
191.17868	2.9
192.14607	1.5
193.15157	0.9
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
50.86657	1.0
55.05509	3.1
55.05758	0.9
57.07077	1.2
57.28054	0.9
65.90295	0.9
67.05492	2.8
69.03426	12.0
69.07058	2.8
71.05022	1.8
71.14776	1.9
71.46372	0.9
79.05498	3.0
81.07065	6.8
83.04986	1.3
83.08654	1.2
85.06532	3.7
91.05487	11.7
91.20287	1.1
93.07052	10.0
95.05003	1.5
95.08612	4.4
97.06511	4.9
101.02148	1.1
105.07041	33.2
107.08603	16.1
109.06541	2.3
109.10203	2.2
111.08112	1.5
116.06304	0.9
117.07023	2.3
119.08592	7.7
121.06541	2.1
121.10172	8.4
123.08049	2.5
129.07025	1.9
130.07768	1.2
131.08588	21.6
133.10146	100.0
135.08049	6.5
135.11682	1.6
142.85925	1.1
143.08566	4.1
144.09383	1.6
144.38402	1.1
145.10132	9.7
147.11716	7.1
149.09637	2.5
149.13249	8.1
158.10962	5.8
163.11302	1.3
173.13268	28.5
191.14314	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	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03929	2.1
54.34526	1.6
55.05497	6.8
57.07062	1.9
61.44525	1.5
67.05506	10.3
69.03436	16.3
69.07063	12.4
70.12047	6.9
71.04992	2.0
79.05489	9.2
81.07058	9.3
83.04973	5.1
83.08604	6.3
85.06550	1.8
88.00179	1.5
91.05486	13.2
93.07053	17.0
95.04939	3.1
95.08605	21.7
97.06545	11.5
103.05485	1.8
105.07037	18.1
107.04976	3.5
107.08597	28.7
109.06551	10.1
109.10146	13.6
111.08076	2.0
117.07021	4.6
119.08586	12.7
121.06542	10.4
121.10142	20.8
123.08035	6.8
130.81006	1.8
131.08585	22.1
133.10156	16.6
135.08051	29.5
135.11676	8.8
140.92239	1.7
143.08527	3.5
145.10132	14.5
147.07986	1.9
147.11729	9.6
149.09634	15.5
149.13257	7.6
158.10867	8.7
161.09581	2.8
163.11282	2.2
163.14796	5.8
173.09586	3.6
173.13277	44.5
176.11983	3.0
183.86784	2.0
191.06955	3.4
191.10760	11.0
191.14310	100.0
191.17908	5.2
192.14696	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21912	0.6
52.24631	0.6
53.11834	0.6
55.05515	4.3
65.03951	0.7
67.05506	2.9
69.03437	1.8
69.07083	3.5
69.60915	0.6
70.95832	0.6
71.04994	2.2
71.43949	0.8
71.44289	0.9
78.84769	0.6
79.05505	3.9
81.07070	4.2
82.47651	0.8
83.04971	1.5
83.08609	1.8
85.06541	2.0
85.83366	0.6
91.05492	10.7
93.07056	8.0
95.04978	1.6
95.08619	3.6
97.06544	3.2
103.05463	1.0
105.07036	31.1
107.08607	11.9
109.06507	2.7
109.10169	3.6
111.08089	1.6
115.05501	1.4
116.06243	0.9
117.07028	4.7
118.07787	2.1
119.08604	8.0
121.06544	2.7
121.10155	7.4
123.08105	2.0
124.04295	0.6
128.46005	0.6
129.06995	2.2
130.07823	0.9
131.07593	1.2
131.08577	20.6
133.10141	100.0
134.10555	0.8
135.08058	7.8
135.11731	1.5
143.08609	3.6
144.09373	1.9
145.10138	11.0
147.11697	6.4
149.09641	4.3
149.13251	6.4
150.10445	1.2
158.10912	6.0
163.11160	1.2
163.14818	1.4
171.11726	1.1
173.13284	27.8
191.10684	1.5
191.14331	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	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03923	1.2
55.05497	3.5
67.05508	4.4
69.03419	1.1
69.07051	3.1
70.37663	3.3
71.05004	2.0
73.94791	0.9
79.05482	3.6
81.07075	4.6
81.99678	0.8
83.08646	1.0
85.06561	5.8
91.05487	13.6
93.07052	9.7
95.04932	1.4
95.08620	5.2
97.06532	6.1
105.07038	38.4
107.08590	15.2
109.06526	2.1
109.10184	2.5
111.08057	1.5
115.05457	1.0
117.07005	2.8
119.08569	8.4
121.06494	3.5
121.10146	8.5
123.08036	2.6
129.06999	2.2
130.07813	1.0
131.08580	26.2
133.10138	100.0
135.08041	5.9
143.08575	3.9
144.09334	2.3
145.10123	12.0
147.11710	6.0
149.09644	2.0
149.13266	9.9
158.10905	6.7
163.11125	0.9
163.14804	2.1
173.13278	32.0
186.79880	0.8
191.14317	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.5
55.01866	1.9
55.05514	7.9
57.07064	2.7
59.04985	1.7
67.05511	7.9
69.03430	6.2
69.07069	12.7
69.60445	10.5
71.04993	4.9
79.05499	12.0
80.70353	1.4
81.07069	11.4
83.04988	3.6
83.08632	8.7
85.06551	3.4
88.72181	1.5
91.05490	24.3
93.07050	18.5
95.04971	9.5
95.08611	11.9
97.06528	9.5
98.20744	2.8
105.07036	43.8
107.04945	2.0
107.08604	33.6
109.06518	10.3
109.10156	17.2
115.05440	3.1
117.06986	8.1
119.08601	23.1
121.06490	6.5
121.10147	23.3
123.08076	9.9
123.11687	4.5
129.07010	4.1
131.08571	41.1
133.10138	100.0
135.08069	25.4
135.11685	8.4
137.09605	2.1
143.08574	8.5
144.09363	5.5
145.10123	28.0
147.11705	15.9
148.08920	2.2
149.09641	16.2
149.13261	25.3
158.10912	16.8
163.11165	4.4
163.14859	3.4
173.09586	2.4
173.13274	63.6
176.11891	2.4
190.73141	1.6
191.07004	2.0
191.10699	8.3
191.14314	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	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.2
53.24668	1.5
55.01888	1.6
55.05516	9.7
55.36254	1.4
57.07057	2.4
58.15961	1.5
63.62255	1.5
65.03922	1.9
67.05504	15.9
69.03419	6.8
69.07069	16.9
69.92204	5.2
69.92612	3.7
71.05000	8.9
79.05500	16.5
81.07066	14.0
83.04974	5.3
83.08624	10.7
85.06516	3.6
91.05483	21.8
93.07048	17.9
95.04973	14.7
95.08620	16.9
97.06532	10.6
98.20773	2.5
105.07034	41.8
107.08597	39.4
109.06519	21.9
109.09460	2.5
109.10159	36.5
111.08163	2.3
117.07036	8.5
119.08578	22.0
121.06520	8.3
121.10154	30.3
123.08072	10.6
123.11716	4.5
128.06204	1.9
129.07013	3.7
130.07774	2.4
131.08578	48.5
133.06506	2.6
133.10133	100.0
135.07100	3.4
135.08060	45.5
135.11662	4.6
143.08534	9.1
144.09344	5.0
145.10135	18.8
146.06000	2.4
146.84108	1.7
147.11688	14.1
148.08868	1.8
149.09613	32.2
149.13240	21.1
150.10368	2.2
158.10902	14.4
161.09717	2.6
163.11168	4.2
163.14812	3.7
173.13272	63.8
177.35902	1.9
191.10687	4.7
191.14317	91.0
197.93050	1.8
198.63202	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.30650	1.8
55.05513	14.9
56.65873	1.7
57.07069	1.7
58.48636	1.9
58.87256	1.6
62.62241	1.5
67.05506	12.4
69.03432	3.0
69.07073	29.8
71.04992	6.0
71.47529	2.7
79.05499	9.8
81.07058	7.8
83.04982	4.6
83.08623	49.3
84.50171	1.7
85.06539	4.1
85.84918	1.4
91.05487	18.9
93.07059	16.5
95.04985	14.9
95.08073	1.8
95.08607	12.5
97.06524	7.3
103.05452	1.6
105.07029	45.9
107.08609	27.9
109.06528	18.5
109.10166	44.1
115.05434	2.7
117.07022	5.8
119.08603	12.4
121.06514	5.3
121.10152	14.7
123.08094	4.9
129.07039	3.2
130.07857	2.2
130.88335	1.8
131.08575	28.0
133.10136	100.0
135.08060	47.9
135.11659	2.2
143.08583	6.6
144.09363	2.2
145.10112	13.8
146.05902	1.9
147.11661	11.0
148.08855	1.7
149.09637	12.6
149.13278	17.4
156.09250	1.8
158.10912	9.6
163.14790	3.8
173.11778	2.7
173.13286	52.3
191.07118	2.7
191.14323	67.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49855	1.0
53.03936	1.2
55.05524	5.8
55.05737	1.1
57.03431	1.1
57.07074	2.2
58.88647	0.9
63.54705	0.9
67.05505	5.0
69.03422	3.3
69.07072	8.8
70.53970	2.1
70.54328	1.8
71.04978	3.1
79.05501	4.9
81.07055	8.6
83.04995	2.5
83.08625	4.3
85.06539	1.8
91.05488	14.8
93.07052	14.4
95.04967	2.6
95.08610	9.2
97.06539	7.6
105.07041	34.4
105.07761	1.9
107.08603	24.3
109.06535	4.6
109.10175	5.8
111.08115	2.3
115.05449	1.4
117.07005	3.4
118.07832	1.6
119.08588	12.9
121.06529	4.3
121.09314	1.6
121.10153	21.3
123.08089	5.2
129.07025	2.5
130.07758	1.1
131.08586	28.5
133.10139	100.0
134.10512	1.2
134.14836	1.0
135.08067	14.9
135.11708	4.5
137.09654	1.0
143.08559	6.3
144.09322	2.8
145.10130	14.4
147.11702	8.9
148.08759	1.2
149.09641	14.4
149.13246	12.6
158.10915	9.3
163.11176	1.8
163.14844	7.1
173.13280	40.5
185.30533	1.0
191.03574	0.9
191.10646	1.8
191.14319	48.3
210.07227	0.8
210.94998	0.8
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
52.26282	1.2
53.03936	2.3
55.05500	5.1
57.03433	3.0
57.07064	2.2
59.05009	1.6
59.56316	1.3
66.94863	1.4
67.05512	7.1
69.03416	4.6
69.07076	7.9
69.83769	1.6
70.62478	3.9
71.04975	3.7
75.30849	1.5
79.05500	13.6
81.07050	8.3
83.04986	3.4
83.08604	5.1
85.06534	3.4
88.97813	1.3
91.05482	22.5
93.07047	19.3
93.17141	1.6
95.04964	5.5
95.08072	1.4
95.08611	9.5
97.06509	5.9
103.05459	2.1
105.07032	41.0
107.04995	2.2
107.07861	2.3
107.08599	44.8
108.37937	1.5
109.06525	10.9
109.10164	15.6
110.59220	1.4
115.05515	2.4
117.07014	8.1
119.08595	22.8
121.06493	5.7
121.09311	2.5
121.10149	25.9
123.08058	7.2
123.11726	4.1
129.06992	5.1
130.07755	2.2
131.04910	4.0
131.07573	2.5
131.08569	48.9
133.10138	100.0
135.08063	25.9
135.11665	4.7
143.08566	9.1
144.09406	3.6
145.10126	28.3
147.11700	13.7
149.05966	3.8
149.09601	8.6
149.12164	2.4
149.13271	28.4
158.10902	19.4
161.09723	1.9
163.07495	1.6
163.11169	3.0
163.14845	5.1
173.09685	3.1
173.13274	62.2
191.06998	2.3
191.10641	6.3
191.14310	68.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
50.14202	0.9
55.05518	5.3
56.37267	0.9
57.03434	1.2
57.07069	1.6
67.05508	6.3
69.03421	2.7
69.07075	7.0
70.62452	2.7
71.04986	3.2
76.25713	1.0
79.05499	6.3
81.07062	6.0
81.94398	0.9
83.04984	1.9
83.08625	9.2
85.06562	5.5
91.05483	13.0
93.07050	10.0
95.04983	5.2
95.08607	5.7
97.06557	7.0
103.05460	1.1
105.07036	37.9
107.05018	1.2
107.08603	19.0
109.06533	7.2
109.10160	14.9
109.31842	1.0
115.05416	1.9
116.06207	1.3
117.07001	5.0
119.08588	12.8
121.06510	3.2
121.10147	11.7
123.08078	3.1
129.06999	2.5
131.07585	1.3
131.08577	28.8
133.10135	100.0
133.38243	1.0
135.08063	16.1
135.11694	1.7
143.08560	3.8
144.09337	1.9
145.10118	11.7
147.08038	1.1
147.11662	8.5
149.09641	8.4
149.13266	17.2
158.10927	8.1
160.05051	3.4
163.11212	1.6
163.14792	2.7
173.13272	34.4
176.12083	1.0
191.10669	3.2
191.14322	33.8
195.11731	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.5
55.01866	1.9
55.05514	7.9
57.07064	2.7
59.04985	1.7
67.05511	7.9
69.03430	6.2
69.07069	12.7
69.60445	10.5
71.04993	4.9
79.05499	12.0
80.70353	1.4
81.07069	11.4
83.04988	3.6
83.08632	8.7
85.06551	3.4
88.72181	1.5
91.05490	24.3
93.07050	18.5
95.04971	9.5
95.08611	11.9
97.06528	9.5
98.20744	2.8
105.07036	43.8
107.04945	2.0
107.08604	33.6
109.06518	10.3
109.10156	17.2
115.05440	3.1
117.06986	8.1
119.08601	23.1
121.06490	6.5
121.10147	23.3
123.08076	9.9
123.11687	4.5
129.07010	4.1
131.08571	41.1
133.10138	100.0
135.08069	25.4
135.11685	8.4
137.09605	2.1
143.08574	8.5
144.09363	5.5
145.10123	28.0
147.11705	15.9
148.08920	2.2
149.09641	16.2
149.13261	25.3
158.10912	16.8
163.11165	4.4
163.14859	3.4
173.09586	2.4
173.13274	63.6
176.11891	2.4
190.73141	1.6
191.07004	2.0
191.10699	8.3
191.14314	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	190.1262
Annotation	EPTC
Peak:m/z	Relative Intensity
50.99082	0.8
56.96550	0.7
57.03453	0.5
57.07079	23.0
59.99125	5.0
62.99088	0.6
70.36350	2.1
70.63747	0.5
78.00160	36.6
79.05480	0.7
84.08128	0.9
84.29279	0.5
86.09706	8.8
88.02241	0.9
91.05489	0.8
92.01704	1.3
93.07062	0.6
96.08961	0.5
98.20798	0.6
105.07050	1.2
106.07377	0.8
107.08567	0.7
116.05229	0.7
119.08575	0.6
119.72131	0.5
120.08920	0.9
131.08568	0.6
134.06363	44.1
134.10489	1.0
135.08057	1.2
145.10136	0.6
148.07881	3.6
149.02341	2.9
149.09500	0.6
190.12624	100.0
191.10689	1.1
191.12842	0.9
191.14368	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1068
Annotation	2,6-Dimethyldeca-2,4,6,8-tetraenedial
Peak:m/z	Relative Intensity
53.03950	1.6
55.01876	3.7
55.05513	1.7
55.29165	0.7
57.03445	1.1
57.07078	0.9
65.03931	1.0
67.05509	10.4
69.03429	1.4
69.07078	2.5
69.92782	2.1
69.93190	1.2
71.05024	1.9
77.03903	1.0
77.71796	0.8
79.05495	20.6
81.03420	3.8
81.07061	7.3
83.04987	3.2
83.08640	1.4
85.06545	0.9
91.05488	42.6
93.07053	16.3
95.04964	5.4
95.05457	0.7
95.08614	4.1
97.06543	2.1
103.05490	2.1
105.03407	1.2
105.07034	13.8
105.07670	1.0
107.04965	7.0
107.08603	15.0
109.06523	2.2
109.10174	3.9
111.04449	0.7
115.05445	2.6
116.06229	4.7
117.07034	20.6
119.08585	16.1
121.06502	3.4
121.10164	8.2
123.08086	2.3
128.06252	1.4
129.07018	21.1
130.07788	2.7
131.04906	3.6
131.08575	100.0
132.08965	1.5
133.10130	4.6
135.08078	5.7
135.11700	16.5
136.36285	0.7
143.08578	2.5
145.06483	4.7
145.10129	33.8
147.08064	13.2
147.11751	1.2
149.09586	4.8
149.13258	1.8
155.08549	7.2
158.07231	1.4
158.10909	0.8
161.09659	1.2
161.72762	0.7
163.07556	1.2
163.11194	33.0
163.14813	0.8
173.09633	27.3
173.13193	3.8
174.09926	0.8
191.07048	1.5
191.08679	1.8
191.10677	42.0
191.14322	12.0
191.17967	2.4
192.06447	0.8
192.11017	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1639
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.03942	1.0
54.65277	1.0
55.01833	1.5
55.05296	0.9
55.05515	9.7
55.54671	0.9
57.07082	1.1
65.03940	1.2
65.61316	1.0
67.05508	12.9
69.03414	1.2
69.07076	13.3
71.56452	1.4
79.05497	8.4
81.07064	31.6
83.08625	5.7
83.09032	0.9
84.12804	0.8
85.02904	2.8
90.01796	1.0
91.05483	20.9
93.07056	14.6
93.35963	1.1
95.04960	1.7
95.08614	49.1
95.40551	0.8
97.10147	1.1
103.05450	1.3
105.07040	68.0
107.04969	3.0
107.08607	21.7
109.10171	14.7
115.05444	2.2
117.07010	3.8
118.07777	1.0
119.08591	96.2
121.10149	10.8
128.06227	2.6
129.07008	4.0
131.08589	16.5
133.06497	2.5
133.10138	84.4
143.08582	4.9
145.06496	1.3
145.10149	11.2
146.10912	5.4
147.06375	1.3
147.08081	4.6
147.11697	55.1
156.09364	5.5
159.08081	2.2
159.11737	5.1
159.12846	0.9
160.05252	1.0
160.08923	1.0
160.12483	2.8
161.05968	2.6
161.09642	3.7
161.13266	18.5
171.08051	1.3
171.11703	8.6
174.06766	1.5
174.10420	2.9
174.14044	1.0
189.05469	2.4
189.09082	9.2
189.12775	18.7
189.16396	100.0
190.16748	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77392	1.7
69.03416	4.9
69.09010	1.6
70.83360	2.9
70.83706	3.9
77.61137	1.8
83.64048	1.4
91.05475	7.1
93.07020	1.7
103.16007	1.5
105.07042	14.9
107.08583	3.3
115.05482	1.5
117.07011	4.6
119.08580	17.2
121.10139	1.8
128.06158	3.6
129.07010	4.4
130.07796	5.0
131.08533	7.6
133.06441	2.5
133.10112	6.7
134.52229	1.7
141.06958	12.3
143.08578	7.6
145.10118	18.1
147.08034	6.1
147.11717	14.9
155.08600	3.4
156.09355	63.8
157.09630	1.6
159.08018	5.8
159.11711	15.1
161.05945	1.7
161.09653	4.7
161.13225	3.2
170.33878	1.7
171.11700	69.9
174.06801	2.1
174.10394	8.3
189.09207	7.6
189.12741	100.0
189.16394	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	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83271	1.5
51.00279	1.5
69.01445	1.3
69.01919	1.2
69.03429	4.2
69.70011	1.4
70.53651	2.3
74.63625	1.4
79.05488	2.1
87.63412	1.5
89.83984	1.3
91.05476	4.4
93.07040	1.8
105.07035	11.4
115.05441	1.8
117.06993	3.7
119.08595	20.2
127.70408	1.4
128.06184	3.0
129.06989	4.8
130.07809	7.1
131.08620	7.4
133.10146	5.1
136.61090	1.3
141.06979	8.5
143.08557	7.1
144.09309	2.5
145.10126	18.9
147.08073	7.8
147.11696	18.4
155.08536	4.0
156.09364	57.9
159.08069	5.6
159.11702	11.5
160.08832	2.2
161.09669	2.0
161.13266	3.0
171.11702	69.9
174.06870	1.4
174.10373	8.9
189.05209	1.6
189.09181	3.0
189.12758	100.0
190.12996	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.9
55.05501	2.2
57.03432	0.6
64.71194	0.6
65.03936	1.0
67.05171	1.0
67.05506	15.0
69.03432	0.7
69.07072	4.6
69.49138	0.6
71.05003	0.8
71.30186	0.6
71.30498	1.0
79.05493	14.4
81.07064	10.1
83.04948	1.5
83.08620	0.9
85.06532	1.5
86.93435	0.6
91.05486	68.5
93.07049	9.0
95.04974	3.3
95.08618	4.3
97.06557	4.0
103.05494	1.5
105.07036	32.1
107.04963	4.3
107.08585	3.6
109.06512	2.0
111.08093	0.8
115.05434	2.7
117.07024	10.3
119.08586	16.7
121.06517	3.6
123.08073	1.7
128.06227	5.1
129.07014	33.4
130.07758	2.1
131.08582	4.0
133.06496	3.0
133.10138	15.5
135.08046	1.4
141.07013	1.0
142.07771	1.1
143.08568	17.5
145.10129	24.7
147.08038	8.0
147.11708	13.1
156.09383	4.3
159.11681	1.1
160.05196	0.6
161.09605	4.1
161.13257	13.5
169.10135	0.6
171.11702	48.1
172.12042	1.2
189.09120	2.1
189.12752	100.0
190.13095	1.7
196.69258	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01664	0.5
55.01871	6.3
55.05519	2.8
57.03440	0.6
58.06969	0.5
60.59028	0.5
65.03929	1.2
65.34231	0.5
67.05508	13.8
69.01543	0.5
69.03405	0.7
69.07078	4.7
71.04993	0.6
71.26019	0.5
71.56834	0.7
79.05496	17.0
79.28475	0.5
79.43698	0.4
81.07062	10.8
83.04976	1.4
83.08609	1.2
85.02907	0.6
85.06532	1.0
85.96973	0.6
91.05487	59.6
92.05823	0.7
93.07053	9.4
95.04980	4.9
95.08620	5.6
97.06519	3.1
103.05458	1.7
105.07039	36.8
107.04961	4.5
107.08601	5.2
109.06525	2.1
111.08051	0.7
115.05474	2.7
117.07030	12.6
119.04937	1.0
119.08586	17.9
121.06509	3.4
121.10142	2.2
123.08081	1.3
128.06229	5.8
129.07016	35.1
130.07858	2.6
131.08589	4.8
133.06511	3.0
133.10144	15.3
135.08051	1.1
141.06990	1.2
142.07808	1.5
143.08566	18.7
145.06419	0.6
145.10133	25.4
146.10493	0.7
147.08070	8.3
147.11699	11.6
147.12791	0.9
149.02351	0.9
156.09331	3.9
159.11714	1.7
161.09615	3.3
161.13266	12.9
162.13516	0.6
171.11700	50.6
172.12071	0.7
174.10561	0.6
189.09268	3.2
189.12755	100.0
189.16263	3.9
190.13087	1.6
200.69675	0.5
201.22118	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.7
67.05483	2.7
69.03408	4.7
69.07038	1.3
72.71275	1.0
79.05489	2.3
81.07055	1.8
83.04974	1.5
85.02904	1.6
91.05479	9.2
93.07038	1.9
95.04974	1.6
95.08588	1.6
96.93008	1.1
103.68658	1.1
105.07032	16.6
107.08584	2.5
115.05440	3.8
116.06200	1.3
117.07009	7.3
119.04976	1.3
119.08572	21.2
121.10134	2.2
128.06218	5.7
129.07014	5.7
130.07791	4.9
131.08568	10.3
133.06453	3.5
133.10124	9.5
141.06979	8.2
142.07747	1.6
143.08566	9.7
144.09319	3.1
145.10139	18.1
147.08061	8.4
147.11696	17.7
155.08574	2.9
156.09348	56.1
157.09732	1.3
159.08066	6.4
159.11681	14.7
160.05125	1.7
160.08849	1.1
161.06000	3.3
161.09586	2.9
161.13255	5.1
171.11688	65.7
172.12099	1.2
173.09723	1.5
174.06798	2.8
174.10405	10.6
189.05460	2.1
189.09215	9.9
189.12744	100.0
189.16350	4.2
190.13029	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.5
53.03929	0.8
54.16323	0.3
55.01871	3.4
55.05508	1.1
57.03428	0.9
65.03939	2.9
67.05508	23.3
68.99767	0.5
69.03439	0.7
69.07076	1.1
70.86147	0.6
77.03928	0.8
79.05495	7.4
79.05951	0.4
79.64988	0.4
81.03429	0.4
81.07053	1.8
83.04990	2.6
85.02906	1.8
87.00838	0.7
91.05488	18.7
93.07039	1.2
95.04976	18.1
95.08620	1.5
103.05479	1.6
105.03400	19.1
105.07038	15.4
106.90501	0.4
107.04961	100.0
107.08602	1.3
107.52590	0.4
108.05254	0.6
109.10165	0.5
112.58649	0.4
115.05446	3.6
117.06223	0.6
117.07035	10.7
119.04953	3.0
119.07774	0.7
119.08586	8.0
121.02876	7.5
121.06517	0.7
121.10129	0.9
123.04459	1.6
127.05415	0.4
128.06233	12.0
129.07008	3.4
130.07808	0.6
131.04941	2.2
131.08569	1.9
132.05699	1.4
133.06499	11.3
133.10135	11.4
141.07014	1.0
142.07872	0.4
143.08569	15.6
145.06493	17.9
145.10152	2.2
146.07329	0.7
147.04407	1.8
147.08052	7.9
147.11713	2.2
152.06267	1.1
153.07011	3.0
155.06058	1.6
155.49573	0.3
156.09381	0.9
159.08084	1.3
159.11861	0.4
161.05994	1.3
161.09631	25.6
161.13269	1.2
171.08058	24.2
171.11729	1.6
174.02859	0.4
174.10445	0.7
181.07698	0.3
188.94794	0.4
189.09122	44.3
189.12653	5.5
189.16397	4.5
190.09479	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0912
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
53.03941	1.6
55.01885	3.3
55.05501	1.2
55.95985	0.4
57.03445	0.9
61.53154	0.4
65.03941	3.1
65.77630	0.4
67.05510	23.4
67.31639	0.4
69.03432	0.5
69.07050	0.6
69.32458	0.9
69.32861	2.8
77.03926	1.0
79.05495	7.7
81.03418	1.0
81.07070	0.8
83.04982	1.9
85.02914	1.0
85.47395	0.4
88.60362	0.4
91.05490	17.3
93.07043	1.4
95.04359	0.8
95.04975	17.2
103.05453	1.6
105.03404	18.2
105.04475	0.8
105.06497	0.4
105.07035	13.8
107.04961	100.0
107.69898	0.5
115.05453	4.2
117.07026	9.9
119.04939	2.4
119.05687	0.4
119.08578	6.5
121.02873	7.4
121.06545	0.8
123.04433	1.5
128.05263	0.5
128.06236	10.5
129.07018	3.1
131.04926	1.9
131.08559	1.7
132.05719	1.0
132.99760	0.4
133.06509	11.2
133.10136	8.1
134.85777	0.4
141.06998	1.1
142.07840	0.4
143.08568	14.0
145.06499	15.0
145.10153	1.7
146.07248	0.8
147.04408	1.5
147.08054	8.9
147.11685	1.3
152.06322	0.9
153.07018	3.1
155.06039	1.1
156.09315	0.7
159.08012	0.7
161.09633	24.5
161.13223	0.6
171.08064	22.8
174.06766	0.5
174.10371	0.5
181.07501	0.5
189.09122	38.0
189.12692	4.0
189.16443	2.8
190.09532	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0919
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
55.05507	0.8
56.05050	2.0
57.03441	1.3
58.06607	0.5
59.05005	2.4
60.04521	1.4
61.02930	9.0
68.05019	0.4
69.03432	0.9
70.02950	2.7
70.08682	0.8
70.09071	1.0
71.04988	1.5
75.04484	0.7
82.06595	2.8
83.04999	4.1
84.04510	100.0
85.02911	20.0
85.03433	0.8
86.06077	0.4
87.04472	5.5
91.05518	0.5
98.06077	0.6
99.04462	0.4
100.07637	1.4
105.07037	0.8
110.06069	2.7
111.04449	1.1
112.03973	0.5
118.06570	0.8
123.58289	0.4
126.05534	5.0
128.06239	0.6
128.07091	5.6
129.05544	0.5
129.06543	0.5
142.07381	0.9
146.06018	1.7
146.08136	0.8
160.05232	0.9
160.08398	0.5
161.06004	1.5
170.06874	0.5
170.08179	0.9
171.06578	0.4
188.07819	0.8
188.09236	8.7
189.09137	0.7
195.36165	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0918
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
55.05518	0.7
56.05031	1.8
57.03435	1.7
59.05014	2.0
60.04517	1.4
61.02930	9.4
64.29247	0.4
69.03433	1.4
69.54133	3.0
69.56012	0.5
70.02956	2.4
71.04997	1.6
72.04533	0.7
79.05514	0.5
82.06578	3.1
83.04536	0.6
83.04987	4.1
84.04511	100.0
85.02911	20.1
85.03433	1.0
86.06071	1.0
87.04479	5.7
91.05510	1.3
95.08620	0.5
96.04523	0.5
98.06081	0.7
100.07645	1.5
103.05501	1.0
105.07069	1.4
109.76276	0.4
109.92901	0.4
110.06059	3.4
111.04451	1.4
115.05469	1.1
117.07071	0.5
118.06529	4.1
119.08617	1.0
120.08117	3.2
125.65437	0.4
126.05528	4.6
126.22435	0.4
128.07086	5.7
129.05519	1.2
131.08556	0.8
143.07281	0.8
143.08629	0.7
144.08055	1.1
145.10126	0.4
146.06035	4.6
146.08128	1.0
156.09393	0.7
160.07477	0.7
160.09685	0.7
170.06027	0.8
170.08139	0.5
171.11719	0.6
188.04381	0.7
188.07198	1.7
188.09250	9.7
188.10732	0.8
189.09128	0.7
189.12802	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.8
55.05507	1.3
56.05035	1.7
56.96557	0.8
57.03432	1.8
59.05006	2.2
60.04532	1.6
61.02932	8.9
66.00779	0.4
67.05506	0.8
68.05035	0.5
69.03438	1.4
70.02965	2.2
70.13183	1.0
71.04987	1.5
72.04531	0.5
72.08170	0.6
73.02925	0.4
75.04478	1.3
79.05504	0.6
80.45795	0.4
81.03437	0.4
82.06586	2.5
83.04986	4.6
84.04509	100.0
85.02911	20.0
85.03435	0.7
85.04854	0.5
86.06101	0.9
87.04478	6.7
91.05474	1.2
95.04961	0.8
98.06085	0.8
98.97595	0.6
100.07602	2.3
103.05406	0.5
105.07040	1.2
107.04989	1.4
110.06062	3.4
111.04440	1.3
113.06081	0.4
114.09150	0.4
115.05452	3.5
116.98620	0.8
117.07064	0.7
118.06557	5.7
119.04946	0.7
125.09641	0.7
126.05513	4.7
128.02309	0.7
128.06227	1.0
128.07074	5.4
129.05478	1.1
129.07085	0.5
132.04417	0.5
132.05322	0.8
133.06537	1.6
140.10725	0.5
142.06526	3.5
142.08673	1.1
143.04984	0.4
143.07352	0.9
143.08470	0.4
144.08101	2.1
146.06012	8.3
146.08162	1.1
147.04436	1.4
153.43251	0.4
160.07545	0.9
160.09749	1.0
161.05995	2.0
170.06018	9.7
170.08249	0.9
170.11830	0.9
171.04497	0.9
188.03786	2.3
188.07191	4.8
188.09247	8.6
188.10802	0.9
188.12816	0.8
189.05492	2.0
189.09134	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0707
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
55.01861	0.2
57.03451	0.2
58.24699	0.2
59.05015	0.2
61.02926	0.6
63.02372	0.2
65.03931	0.2
70.02975	0.2
71.05037	0.2
71.56641	0.2
71.57092	0.2
81.03366	0.2
82.06580	0.2
83.04974	0.4
84.04504	7.8
85.02906	1.4
87.04470	0.5
88.82080	0.2
91.05483	4.5
92.05820	0.2
94.56381	0.2
103.05476	0.5
105.03391	0.2
105.07018	0.4
107.04953	0.2
110.06065	0.2
113.12440	0.2
115.05455	5.6
115.06252	0.3
116.04963	0.2
117.05791	1.5
117.07019	4.8
118.06544	71.5
119.06889	0.7
126.05535	0.5
126.52268	0.2
128.04973	0.4
128.06212	0.3
128.07106	0.6
132.04422	0.3
132.08063	0.9
132.08908	0.4
142.06526	7.0
142.08618	0.3
143.07310	11.3
144.04443	0.6
144.08086	23.5
145.06479	0.7
145.08429	0.3
146.06009	100.0
147.06342	1.5
155.06067	0.8
160.07568	1.0
160.12061	0.2
161.05966	0.3
170.06018	10.0
188.07065	22.8
188.09015	0.9
188.11545	0.5
188.15085	0.6
189.05466	0.3
189.07370	0.3
189.09079	0.5
189.12685	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07079	0.4
58.06599	0.8
65.72482	0.4
71.40623	0.6
73.23233	0.3
74.42157	0.4
78.39868	0.4
79.05505	0.3
84.04514	4.5
85.02929	1.8
87.04456	0.4
90.04100	0.4
91.05486	4.6
95.08610	0.6
103.05469	0.4
105.07050	0.7
115.05457	6.5
117.05756	1.4
117.07011	4.0
118.06552	66.9
119.06866	0.7
119.08631	0.7
128.06268	0.8
128.07137	0.5
132.08078	1.1
132.08952	0.5
133.10182	0.7
142.06522	5.9
142.08658	0.4
143.07320	12.1
144.04457	0.7
144.08095	22.9
145.06480	1.1
145.10123	0.4
146.06018	100.0
146.10464	1.1
147.06357	1.7
155.06085	0.8
160.07567	1.5
160.09683	0.5
164.95636	0.4
170.06026	9.5
173.12027	0.6
188.07071	20.1
188.11584	0.8
188.15102	1.4
188.20093	4.0
189.09111	0.7
189.12823	0.6
189.16370	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05531	0.5
70.61920	1.2
84.04513	1.3
91.05485	4.3
98.97591	0.6
103.05494	1.0
105.07039	0.6
107.45033	0.4
115.05470	7.5
117.05749	1.7
117.07027	5.8
118.06554	71.4
119.06890	0.9
132.08121	0.9
133.06482	1.0
136.92351	0.5
142.06534	5.8
143.04958	0.6
143.07324	13.6
144.04485	0.8
144.08099	24.7
145.06494	0.9
146.06023	100.0
147.06378	1.1
155.06055	1.1
160.07567	0.9
161.05977	0.8
170.06027	9.7
188.07082	21.3
189.05476	0.7
193.49809	0.4
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
70.65758	0.8
70.66091	0.8
71.06625	0.4
74.72021	0.3
91.05487	4.1
98.20864	0.5
98.32140	0.4
103.05453	0.7
115.05463	5.4
117.05744	1.1
117.07021	3.8
118.06550	63.8
119.06918	0.7
132.08128	0.6
142.06528	5.3
143.07307	10.0
144.04427	1.0
144.08096	23.9
145.06496	1.2
146.06017	100.0
147.06360	1.4
155.06024	0.8
160.07573	1.3
170.06027	8.2
170.78767	0.4
188.07083	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	188.0377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.9
55.01873	0.3
55.05499	0.8
55.93533	0.6
56.96296	0.4
56.96571	6.3
57.03420	0.5
57.98819	0.3
60.04513	0.7
61.02914	1.2
65.03924	0.7
67.05502	0.5
69.03424	0.8
69.07066	0.6
69.98787	0.5
70.06598	0.5
70.29041	1.2
70.99581	0.7
72.04526	0.4
73.02913	0.6
79.05503	0.4
80.04998	0.7
81.03421	0.6
81.07052	0.3
82.06600	0.5
82.99579	0.5
83.04982	0.8
84.04516	6.3
84.96024	0.8
85.01131	3.1
85.02908	2.0
85.06543	0.4
87.02686	0.4
87.04473	0.7
91.05493	0.4
95.04969	0.5
95.08602	1.0
97.01104	0.6
97.02892	1.3
97.06522	0.3
98.06070	0.4
98.97607	3.9
99.02666	0.4
100.07607	0.4
103.02148	0.6
104.08012	0.3
105.94347	0.4
109.06509	0.3
109.10173	0.4
110.01276	0.5
112.02201	3.9
113.02991	0.5
115.05449	1.0
116.98623	2.9
117.02079	0.3
118.06561	0.9
119.01826	1.1
124.07561	0.4
124.11256	0.5
124.99190	0.3
125.06089	0.4
127.03961	0.5
128.02324	1.2
128.07072	0.8
128.98587	0.7
131.95032	0.3
132.04475	1.5
134.99677	1.8
140.01631	2.8
141.01987	0.4
142.08662	1.0
142.12297	0.6
143.04903	0.5
144.01074	0.7
145.01750	0.3
146.05991	0.7
146.91872	0.7
146.99667	0.7
152.01648	0.4
157.01944	1.0
158.02702	1.9
158.99669	1.1
160.07550	0.3
161.01218	0.3
161.05984	0.7
163.97720	0.3
164.92941	0.5
167.04617	0.6
170.02727	12.9
170.08061	0.5
170.11775	0.5
175.82451	0.3
177.00699	0.9
178.05028	1.3
188.03784	100.0
188.12794	0.7
189.04047	0.9
189.05568	0.3
190.04488	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46198	1.1
55.05491	1.2
55.93520	2.3
56.94313	6.1
69.38708	8.5
70.95869	14.9
72.93793	54.4
73.51929	1.1
74.95354	1.0
78.83589	1.1
84.04507	2.2
84.05846	0.9
88.96922	7.0
89.94022	3.2
90.94833	24.6
93.60221	1.1
102.94842	5.4
104.96379	1.2
107.95090	2.6
108.95877	7.9
111.98486	2.3
113.95707	1.6
113.96420	23.1
116.96378	23.7
118.94291	4.7
120.95864	2.5
125.96126	3.0
130.33667	1.1
130.96626	1.1
131.97456	15.6
132.95848	2.2
134.97412	26.9
136.95326	4.9
144.95807	6.1
145.99126	1.1
146.08080	1.2
146.10475	1.3
146.97409	7.4
150.96873	2.0
154.99060	5.0
155.97394	1.3
157.98993	7.0
162.96890	5.8
164.98468	100.0
165.98659	1.1
169.98972	2.8
178.99977	1.5
188.00069	19.9
188.09218	2.1
188.11526	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.5
55.58375	0.9
57.07089	4.9
59.64558	0.8
59.89811	1.0
65.59370	0.8
67.05505	8.9
69.03440	1.6
69.07057	3.8
71.01350	1.1
71.56672	1.5
74.57229	0.9
76.02256	0.9
79.05490	6.9
81.03422	1.7
81.07054	6.8
83.08622	3.7
84.04520	1.0
85.02872	1.0
88.02222	13.7
91.05485	18.6
93.07039	7.4
95.08643	4.8
105.07034	20.3
107.08582	3.7
115.05466	1.2
116.06242	2.1
117.07024	22.6
119.08581	15.8
121.10143	2.7
128.06195	0.9
129.07027	4.4
130.07808	4.6
131.08575	58.4
133.10144	4.5
136.48840	0.9
143.08571	4.0
144.05722	1.3
144.09343	1.8
145.10130	86.9
157.10101	2.0
158.10912	1.7
159.06973	2.1
159.08160	1.3
159.11720	16.3
172.08801	1.5
173.00851	3.9
185.13280	1.1
187.03958	1.3
187.07555	2.1
187.11348	5.9
187.14832	100.0
187.22498	1.4
188.15215	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1482
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
50.29717	0.8
53.03964	0.9
55.05504	1.9
57.07083	4.6
67.05507	6.9
69.03434	1.0
69.07081	3.7
71.46294	1.4
72.27982	0.7
72.50563	0.7
74.11681	0.6
79.05499	6.4
81.03420	2.3
81.07053	6.2
83.08607	3.7
85.02914	1.5
88.02213	8.7
91.05483	19.8
93.07053	6.2
95.05006	0.9
95.08622	4.3
99.22187	0.8
103.05447	1.5
105.07034	18.2
107.08589	4.6
110.77766	0.7
115.05466	1.6
116.06246	1.3
117.06210	1.5
117.07020	21.8
119.08601	17.6
119.09438	1.2
121.10140	2.2
128.07121	0.8
129.07001	3.4
130.07822	4.0
131.08575	60.3
133.10161	5.6
141.07033	1.3
143.08543	4.1
144.09334	1.7
145.10129	89.9
157.10112	2.1
158.10995	1.5
159.07025	1.6
159.11713	14.7
172.12477	1.1
173.00835	2.8
185.13254	1.2
187.07582	1.7
187.11337	6.1
187.14833	100.0
187.22583	1.3
188.15184	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0755
Annotation	5-Methyl-1-naphthoate
Peak:m/z	Relative Intensity
50.17704	1.1
53.03945	1.4
55.01878	7.7
55.05498	1.7
57.03433	1.3
67.05502	2.1
69.03431	8.1
71.01360	7.9
71.56648	1.5
79.05505	2.5
81.03426	10.3
81.07057	2.0
83.01350	1.8
83.04950	1.7
83.08617	1.1
85.02906	3.6
88.02206	5.2
91.05482	25.4
93.07032	1.7
94.04175	1.1
95.04943	1.1
95.08608	2.3
97.02881	1.4
99.00809	1.1
99.04477	1.8
103.05449	3.8
105.07031	4.9
107.04962	2.6
109.02864	3.0
115.05464	24.1
116.06262	6.8
117.07026	16.4
119.08601	2.6
120.18440	1.2
121.02878	2.6
127.03915	3.7
127.05460	1.6
128.06235	6.9
129.05597	1.2
129.06995	10.8
130.07825	1.2
131.04921	17.6
131.08574	54.4
141.06995	79.8
143.08536	3.4
144.05711	40.4
145.06496	34.1
145.10114	16.4
155.06087	2.5
157.06551	6.9
157.10110	1.4
157.66170	1.1
158.07320	6.2
158.10936	1.2
159.04402	2.1
159.08064	72.8
159.11652	8.1
163.58914	1.1
168.05725	1.7
169.06473	67.2
169.07617	6.1
170.06955	1.5
172.08842	1.5
173.00862	2.3
179.06091	1.4
187.04059	2.5
187.07555	100.0
187.11076	6.8
187.14850	16.5
188.07709	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.009
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98437	0.2
55.01868	0.8
55.05507	0.8
56.02193	0.3
56.96289	0.5
56.96571	10.2
57.03440	1.6
57.07058	0.3
58.99861	2.2
59.04990	0.2
59.42011	0.2
59.99948	0.4
60.99603	0.2
61.02941	2.1
65.03928	0.3
65.76418	0.2
67.05493	0.9
68.98286	0.3
68.99794	0.2
69.03419	2.3
69.66875	0.8
69.67283	0.8
70.98134	0.4
70.99852	1.8
71.01355	0.4
71.04978	0.4
71.95258	0.7
73.02918	0.6
75.01913	0.3
77.00916	3.4
77.56691	0.3
78.00998	0.4
79.00657	0.4
81.03407	0.6
82.01451	0.3
82.99845	1.3
83.01517	0.8
83.04993	0.5
83.08610	0.3
84.96030	0.6
85.02914	1.8
86.99323	0.5
87.00834	0.5
87.04497	0.3
88.02233	1.3
88.02665	0.3
88.99095	0.3
89.00925	1.2
91.02457	0.8
94.02742	0.3
95.01322	0.8
95.01939	0.8
95.04973	0.4
97.01457	0.2
97.02889	0.6
98.97588	3.9
99.04469	0.7
100.02460	1.3
101.00887	24.4
101.02547	3.9
102.00963	0.7
102.02334	0.7
103.00648	2.1
103.01318	0.4
103.02462	1.7
104.00987	0.3
104.98621	0.3
105.00375	1.0
105.02130	0.3
106.98094	0.4
109.02879	0.4
109.03520	0.4
110.02175	0.5
110.51445	0.3
110.97552	0.3
111.02961	0.4
111.04399	0.3
111.53689	0.3
113.00892	0.8
113.02398	1.4
115.00619	0.3
115.02455	2.9
115.04103	0.4
116.02305	0.2
116.07089	0.5
116.98651	3.6
117.02142	0.7
117.02918	0.3
117.04002	0.6
118.01120	0.3
118.03563	0.9
119.01926	100.0
119.97329	0.7
120.01992	3.7
120.03310	0.6
121.01662	9.6
121.02319	0.6
121.03523	0.9
122.01984	2.6
124.02448	0.3
124.99129	0.3
125.02669	0.4
126.98779	2.6
127.02483	0.6
127.03985	0.6
127.98881	0.4
128.97870	0.9
128.98705	0.3
129.03995	0.5
131.00177	0.6
131.01901	3.6
131.96199	0.3
132.00879	0.4
132.01941	0.4
133.01604	1.6
133.02528	0.4
133.03461	5.3
133.05150	0.5
134.03625	0.3
134.99693	1.5
135.02292	0.3
135.03247	0.7
135.05008	0.5
137.02965	23.4
137.98363	1.1
138.03081	0.9
139.02678	3.3
140.03094	1.0
140.97804	0.6
140.99594	0.3
141.01393	1.0
142.03677	2.4
143.00157	0.5
143.01910	4.3
143.03618	0.5
143.05548	0.7
144.03267	0.7
144.99834	11.0
145.01663	0.7
145.03471	3.4
145.99951	3.4
146.03613	0.3
146.99626	0.9
147.01433	1.7
147.03203	1.2
147.05006	0.7
148.02937	0.5
149.02954	1.0
149.50433	0.5
149.97244	0.6
149.98367	0.3
151.00520	0.5
151.04527	1.5
155.01929	0.6
156.99173	0.3
157.01646	0.4
157.03484	0.8
158.99692	0.6
159.01405	1.1
159.03239	1.5
159.05035	0.9
160.04567	0.4
161.02988	6.2
161.06662	0.3
162.03046	0.3
162.04245	0.4
162.99258	0.5
163.00902	4.9
163.02650	2.2
163.04613	1.2
164.00996	3.1
164.03096	0.6
164.04584	0.4
165.00725	0.9
165.02492	0.3
168.98309	0.6
168.99858	6.3
169.01587	3.9
169.03526	1.0
170.01311	0.4
171.01379	0.4
171.05135	0.4
172.95270	0.3
172.99327	3.3
173.01027	1.2
173.02972	0.7
174.99187	0.4
175.00899	0.4
175.02731	0.6
175.04562	0.9
175.40129	0.3
177.00812	0.7
177.02463	1.3
177.04152	0.3
179.04022	0.6
181.01993	0.6
181.03801	0.9
182.02151	0.9
182.04051	0.6
183.01677	0.3
185.02974	0.9
186.99202	2.3
187.00911	11.2
187.02708	5.3
187.04543	5.3
187.06210	0.4
187.07800	0.5
187.11099	0.5
188.02359	0.4
189.02451	0.4
189.06104	0.3
191.00410	3.2
191.04059	0.5
195.03510	0.4
201.02560	0.4
203.03922	0.5
205.00256	1.5
205.01952	1.8
205.03732	1.9
205.05414	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	185.0811
Annotation	4-Hydroxy-3,5-dimethoxybenzyl alcohol
Peak:m/z	Relative Intensity
51.02377	1.0
51.97853	0.6
53.03937	2.2
55.01875	4.1
55.05499	1.8
56.96559	3.7
57.03429	1.4
57.07061	0.8
63.16835	0.6
64.55524	0.6
65.03926	1.4
67.05515	2.9
68.99811	4.0
69.03432	3.2
69.07064	2.0
70.06612	0.7
71.04991	1.0
71.55692	1.3
73.02908	2.0
78.04716	2.7
79.05061	1.1
79.05502	15.8
81.03416	1.4
81.07053	2.1
82.14632	0.5
83.04967	1.6
83.08606	1.2
85.02890	2.4
86.09695	0.7
89.03902	0.8
91.05473	2.4
93.07027	3.2
95.04979	5.7
95.08608	1.4
96.05770	1.7
97.02900	4.2
97.06530	2.1
98.97550	1.0
99.04471	10.5
101.00877	1.6
101.06047	0.9
101.95061	0.9
102.00977	1.4
102.96861	1.0
103.00633	0.9
103.05470	1.2
105.04505	1.6
106.04182	3.3
107.04969	43.1
107.08607	1.2
109.06510	0.7
111.04475	1.4
111.08123	1.0
114.05545	1.1
115.02425	0.7
115.03999	0.7
116.98651	1.3
117.03395	0.9
119.01945	6.1
120.02017	13.8
120.97925	1.2
121.01691	3.0
121.02888	0.8
121.06516	2.2
121.10149	0.6
123.04446	3.8
124.05257	2.9
124.07597	0.6
125.02412	2.1
125.05957	1.2
125.07975	1.1
125.09630	1.6
126.05518	0.8
126.93839	0.6
127.03955	1.0
128.06209	3.5
129.07007	4.8
130.06494	0.8
131.01912	2.4
131.04924	1.2
134.03667	1.3
134.99612	0.9
135.04442	23.3
137.02940	1.4
138.03079	5.8
138.98967	1.7
139.02870	0.7
139.03908	13.8
139.05486	1.4
139.07547	2.2
140.07065	0.8
141.05478	0.6
141.07034	0.8
142.02560	0.6
142.03502	1.0
142.07738	0.8
143.03677	2.7
145.06525	0.5
146.99687	0.7
149.05984	1.1
151.03906	5.6
152.04701	57.4
153.05321	2.3
154.05751	1.1
157.06514	14.5
157.10115	1.3
161.03024	1.3
162.03128	1.3
167.03433	4.6
167.07059	100.0
168.07445	1.5
180.04172	1.7
185.02936	1.3
185.04529	1.3
185.05981	17.9
185.09454	1.1
185.10808	0.7
185.13182	1.2
197.01306	0.8
197.03006	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0445
Annotation	3,4-Dihydroxymandelate
Peak:m/z	Relative Intensity
53.00296	1.4
53.03944	0.6
55.01873	0.7
55.05501	2.4
55.45523	0.6
55.54750	0.6
57.03427	0.6
57.07068	0.8
65.03929	2.1
67.05489	1.4
69.03436	1.3
69.07065	2.5
71.04976	0.8
71.55978	0.7
73.22755	0.6
79.05507	1.1
81.07052	1.0
83.04967	1.5
85.02888	1.0
85.06432	0.6
86.09715	1.2
86.94806	0.6
88.94963	0.6
89.03867	0.5
91.05483	1.0
93.07052	2.0
95.08590	1.1
97.02911	0.7
97.06541	1.2
97.10182	0.8
99.04472	0.8
105.07052	1.0
107.08616	1.4
109.06509	0.6
111.04421	1.1
113.06030	0.7
114.05496	1.0
114.89162	0.7
117.03404	0.7
119.01945	1.2
120.02018	3.4
121.01661	0.9
121.02872	2.0
121.06529	1.0
121.10130	1.1
125.02361	0.9
125.06008	1.2
125.09626	1.2
128.06235	2.5
129.07028	4.1
131.04939	1.4
136.22328	0.6
137.09425	0.6
138.03033	1.5
139.03911	100.0
139.11179	1.2
140.04308	0.8
143.03600	0.9
152.34509	0.7
153.24419	0.6
155.08563	0.7
157.05165	1.3
157.06488	13.7
157.10175	1.3
167.03447	1.2
167.07057	1.4
170.10942	1.2
185.02657	1.1
185.04492	1.0
185.05959	12.6
185.09395	0.7
185.10791	1.3
185.13290	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0734
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
55.82205	0.5
56.05038	0.8
58.06610	1.2
60.08170	20.8
60.08474	1.0
64.55083	0.5
69.92581	2.3
71.07379	13.0
73.07038	0.5
86.09712	100.0
98.98473	18.2
101.95055	8.2
104.10754	5.0
105.03411	0.6
114.35623	0.5
119.96069	5.6
125.00014	84.2
137.97107	6.4
143.01083	1.2
143.08609	0.8
155.98174	1.5
160.98734	1.2
166.02620	1.2
184.07358	99.4
185.07614	0.7
185.13298	0.8
196.95430	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.097
Annotation	chaetoglocin D
Peak:m/z	Relative Intensity
55.01866	0.5
55.05520	1.0
56.96577	0.8
57.03436	0.6
58.02959	2.0
58.06598	0.4
60.04530	16.7
67.05514	1.6
67.07287	0.3
68.05840	0.4
69.03441	0.9
69.07072	100.0
70.07411	1.1
71.00651	0.4
71.00980	0.6
71.05019	0.4
71.08642	2.9
72.08170	0.7
73.02911	1.1
79.05490	0.6
81.03432	0.4
81.07066	0.5
82.06570	0.4
83.04995	0.3
83.08611	0.3
84.08140	0.3
85.02919	0.8
86.02435	14.1
86.06070	0.9
91.05472	0.6
93.07030	0.5
95.04977	0.7
95.08596	0.8
96.04507	1.2
96.05312	0.4
96.08143	1.2
97.02911	1.3
97.06536	7.1
98.97585	0.4
99.04453	0.4
100.07635	0.8
101.00880	1.5
101.95026	2.1
105.03378	0.3
106.03703	0.4
107.08642	0.4
109.02882	0.3
110.09682	1.1
110.10409	0.3
111.08131	0.3
119.01918	5.0
119.96091	1.0
120.05273	0.3
121.54790	0.3
121.78735	0.3
124.07616	0.6
125.09634	0.4
131.01933	0.9
133.03445	0.5
134.55600	0.4
137.02988	1.5
137.97104	0.6
138.09146	6.1
138.12776	0.5
142.03508	1.1
142.08678	0.5
145.03439	1.1
147.04391	0.8
148.04729	0.7
150.51912	0.3
155.98172	0.3
156.10190	4.2
157.03448	0.4
157.10249	0.4
158.56657	0.7
161.02960	0.8
163.04430	0.4
166.08620	1.2
167.57161	0.5
172.56331	2.1
173.02980	0.7
173.06500	0.9
179.03984	0.5
181.56836	2.7
182.06953	0.9
184.07208	0.6
184.09697	25.0
184.16977	1.0
185.02797	1.0
185.06073	0.5
185.09999	0.4
189.00911	0.3
200.07704	1.6
201.08015	0.3
203.03967	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	0.5
70.10396	1.4
73.80550	0.3
77.29243	0.3
81.73782	0.3
82.99841	2.5
101.00886	30.5
101.95005	0.4
102.00979	0.9
119.01926	100.0
120.01999	2.0
124.02435	2.3
133.03458	0.7
137.02960	23.0
138.02994	0.4
142.03510	21.1
142.42612	0.3
143.01912	0.9
143.03616	0.8
150.03572	0.3
160.04575	4.8
161.02971	9.6
161.04298	0.7
162.03117	0.3
179.04012	10.3
184.04594	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0733
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
52.44698	0.5
56.05035	1.1
56.96559	0.3
58.06612	0.5
59.07372	0.4
59.84968	0.3
60.08166	19.7
63.73063	0.4
67.15395	0.3
68.92686	0.3
69.85715	0.9
69.86127	1.2
71.07375	10.3
71.95287	0.8
86.09708	96.5
87.10027	1.0
98.98469	18.1
101.95035	11.3
101.95715	0.6
104.10750	4.1
105.03403	0.6
106.03742	0.5
119.96075	7.2
125.00008	82.1
137.97101	6.5
137.98074	0.6
142.97678	0.7
143.01047	1.0
155.98160	2.7
160.98729	1.8
166.02541	0.7
166.08739	0.4
178.24550	0.3
178.99794	0.6
184.07347	100.0
185.07640	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01840	0.7
57.03444	3.8
61.02917	2.3
67.27338	0.6
69.03443	3.7
69.70396	4.3
73.02921	5.9
74.03218	0.7
77.50842	0.7
81.03415	1.9
81.14664	0.6
82.99852	2.2
85.02898	4.8
87.04492	0.7
94.11379	0.7
97.02885	4.6
101.00885	30.8
102.00988	2.0
102.52544	1.0
103.00626	1.3
103.01289	0.8
103.02271	1.0
108.52441	1.6
113.00903	1.4
114.00981	1.0
115.00657	1.6
115.02494	0.9
119.01931	100.0
119.98828	1.1
120.02009	4.2
120.03427	0.8
121.01685	2.2
124.02470	1.9
127.03925	1.5
131.01923	2.7
132.02066	2.3
132.53545	1.2
133.01689	1.6
133.03430	1.2
137.02968	22.7
138.53462	1.3
142.03510	17.4
143.01904	2.8
144.02005	3.1
144.53546	0.8
145.01645	1.0
146.03526	0.9
147.03215	1.4
155.01923	1.9
156.02039	2.4
157.01665	2.1
158.03635	0.8
159.03239	1.1
160.04581	5.3
161.02951	11.0
162.03088	3.7
163.02754	3.0
168.02101	0.9
173.03001	2.0
174.03246	4.0
175.02760	2.5
179.04034	9.5
184.04482	1.0
185.02942	1.7
186.03214	2.1
187.02795	0.9
204.04318	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72263	0.2
71.54231	0.2
71.54572	0.2
77.72958	0.2
82.99835	1.8
90.35885	0.2
100.02478	0.3
101.00883	25.6
101.95023	0.6
102.00979	0.6
103.89894	0.2
105.82427	0.2
106.56364	0.2
115.02427	0.2
118.03532	0.4
119.01923	100.0
119.96087	0.2
120.01998	2.5
121.02374	0.4
123.26194	0.2
124.02409	1.6
133.03500	1.0
137.02960	25.6
138.03102	0.5
139.03392	0.2
142.03505	20.1
143.01865	0.3
143.03674	0.9
143.93541	0.2
145.81139	0.2
151.04535	0.3
160.04565	4.0
161.02968	7.6
161.04584	0.6
165.05128	0.4
175.04509	0.2
179.04008	9.8
184.04436	0.3
202.05733	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.1541
Annotation	(+)-Myrioxazine B
Peak:m/z	Relative Intensity
53.00290	0.5
54.58033	0.4
55.01875	0.8
55.05257	0.6
55.05511	7.0
57.03431	1.0
57.07081	3.0
58.02964	32.1
59.90647	0.5
60.44687	0.6
65.03925	0.8
67.05506	20.7
69.03423	0.9
69.07070	63.4
69.23854	1.7
69.24274	3.4
70.06608	2.5
70.07397	0.7
70.14365	0.5
71.08638	0.6
72.08142	0.9
74.06080	1.7
79.05492	5.8
80.05016	0.6
81.07060	21.0
82.06575	0.8
83.04958	1.6
83.08618	7.5
84.04525	0.6
84.08143	8.2
86.06059	1.7
91.05486	4.6
93.07050	10.5
95.04977	2.6
95.08610	7.3
97.06541	5.0
98.06052	2.5
98.09702	2.3
98.97542	0.7
99.97977	0.7
100.07626	6.3
105.03381	0.7
105.07040	13.8
107.08603	18.4
108.08135	0.6
109.06535	2.8
109.10162	45.5
110.10493	0.5
111.08064	0.9
112.07608	2.6
112.11214	0.7
114.09176	14.5
116.98635	0.9
119.08582	1.6
121.10149	2.4
123.08054	0.6
123.11715	7.1
124.11228	0.8
125.13326	0.6
126.09166	13.7
126.12781	1.7
127.09611	0.6
128.10741	0.7
133.10138	30.2
135.11700	18.6
136.12018	0.6
137.13289	0.9
138.12785	22.1
139.13080	0.6
140.10687	1.5
140.14360	1.0
147.11728	4.3
151.11194	10.7
153.12747	13.3
154.08696	0.6
154.15932	1.7
155.13577	0.5
164.14320	3.1
165.12744	4.2
182.15416	100.0
183.15782	2.2
195.62840	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0814
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
52.24056	0.9
53.03935	2.8
55.05514	5.4
57.03432	1.3
58.02951	1.8
58.06602	1.2
65.03962	4.9
67.05512	17.2
68.01414	1.1
68.04993	1.3
69.03426	1.3
69.07060	4.5
71.55566	1.0
78.94592	0.9
79.05054	1.7
79.05495	25.6
80.05009	2.5
81.07061	34.4
82.06559	1.5
83.04981	1.4
83.08613	2.9
84.08141	1.7
86.02425	3.9
91.05480	6.7
92.05010	2.8
93.05792	5.0
93.07037	2.8
94.06571	2.5
95.04970	5.6
96.04492	2.3
97.05311	1.3
97.06530	8.3
98.06047	3.3
98.09687	3.4
98.98477	1.2
105.03380	1.9
106.06539	1.1
107.05016	1.1
107.07355	5.1
108.04482	2.8
108.08125	59.0
109.06545	7.9
110.06049	6.1
114.25605	1.0
118.06554	3.6
120.04469	1.3
121.05238	3.2
121.10162	1.9
122.06051	2.2
122.10513	2.3
123.08028	1.6
124.05226	1.2
124.07584	1.6
124.08424	1.6
125.05997	28.0
126.05527	29.2
126.09165	18.4
136.07588	100.0
137.07898	1.0
138.05545	2.3
140.07001	1.0
146.10451	1.2
152.07019	1.2
153.05420	1.2
153.07825	2.4
154.08627	23.5
164.07082	83.8
164.11568	2.0
166.98630	1.3
167.08589	1.3
182.04697	2.6
182.08145	80.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02955	0.7
58.06608	0.8
60.04516	0.4
65.03944	6.8
67.05508	91.1
68.05852	0.5
69.03439	0.7
69.07075	6.5
69.64845	2.0
69.65260	0.8
71.78927	0.4
79.05485	0.5
81.07052	0.9
86.02442	1.9
86.06065	0.9
87.54312	0.4
91.05498	0.6
95.04974	100.0
96.05337	1.0
98.21531	0.4
108.08125	1.1
113.06025	1.8
124.07542	0.5
136.07582	5.6
154.08647	8.7
164.04303	0.6
164.07095	1.3
182.08142	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	182.0813
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
50.41215	0.9
50.80841	0.9
53.03934	4.0
55.05493	4.6
55.05728	1.1
58.02953	2.3
63.14959	0.9
65.03933	5.1
67.05505	32.8
68.05022	1.1
69.07081	5.2
70.02953	1.2
70.81219	2.1
70.81560	1.6
79.05063	2.1
79.05495	32.7
80.05009	3.1
80.05843	0.9
81.07059	44.3
82.02918	2.1
82.06591	1.2
83.08609	2.9
84.76509	1.0
86.02448	5.2
91.05462	4.3
92.04969	1.3
93.05787	8.4
94.06545	1.9
95.04974	15.2
96.04463	3.0
97.05260	1.9
97.06521	10.2
98.06032	3.4
98.09671	3.2
106.06602	1.9
107.07339	4.5
108.04458	1.8
108.08115	68.3
109.06521	7.9
109.08482	1.0
110.06046	6.1
118.06541	3.1
120.04452	1.8
121.05242	4.5
122.06003	1.3
124.07547	2.3
125.05996	29.6
126.05519	34.5
126.09158	21.4
126.10040	0.8
134.06140	1.1
136.07578	98.2
138.05499	2.6
152.07076	2.0
153.07787	2.2
154.08629	30.4
164.07071	91.1
182.08130	100.0
183.08543	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.5
55.01870	1.4
55.05491	4.8
58.02954	1.9
65.03930	4.3
67.05511	28.7
69.07049	5.2
69.69697	6.2
79.05501	30.7
80.05009	3.6
81.07059	46.5
82.02967	1.9
82.06617	1.7
83.08625	2.1
84.08137	2.3
86.02418	5.2
87.20554	1.1
89.06184	1.1
91.05476	4.9
92.05008	1.3
93.05811	7.5
94.06577	2.5
95.04979	14.2
96.04478	3.5
97.05267	2.1
97.06541	8.1
98.06046	4.4
98.09690	3.4
98.20750	2.0
98.97592	1.3
107.07345	4.7
108.08121	65.9
109.06536	8.5
110.06033	7.0
118.06542	3.2
120.04494	1.4
121.05231	4.3
122.06058	1.5
122.10480	1.7
124.05214	1.5
124.07594	1.2
125.06000	32.0
126.05521	34.8
126.09166	22.1
134.04630	1.2
134.06032	1.6
136.07584	100.0
137.05952	1.4
138.05502	5.3
141.05452	1.2
143.90398	1.1
152.07042	1.2
153.05457	1.5
153.07863	3.9
153.13274	1.1
154.08638	28.0
164.07077	93.9
165.07375	1.2
182.08133	93.1
183.08521	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1225
Annotation	Dihydroactinidiolide
Peak:m/z	Relative Intensity
53.03946	0.7
55.01877	1.0
55.05514	1.2
56.96560	0.7
57.03434	0.4
57.07076	1.3
59.04999	0.6
59.51467	0.2
65.03948	0.5
67.05503	1.3
69.03419	1.3
69.07071	1.0
71.04991	0.8
77.03897	0.3
79.05058	0.4
79.05493	6.2
81.07066	2.7
83.04989	1.2
83.08633	0.3
89.03886	0.4
91.05477	3.7
93.03396	0.3
93.07048	15.3
94.07365	0.3
95.04967	2.4
95.08606	1.8
95.76171	0.2
97.06530	2.3
98.97588	5.5
99.04463	0.2
103.05477	0.8
105.04517	0.3
105.07034	12.6
106.07831	0.6
107.04959	0.8
107.08600	11.4
109.06536	0.5
109.10173	0.6
111.04443	1.0
111.08089	0.8
116.98632	4.9
117.03342	0.3
117.07030	0.3
119.08583	3.8
120.08099	0.6
121.02866	1.2
121.06554	2.3
121.10148	100.0
122.10461	1.3
123.04417	0.2
123.08071	3.2
125.05982	1.4
125.09620	0.4
126.05470	0.2
127.07542	0.3
133.02861	0.8
133.07619	1.7
134.99669	4.1
135.04404	2.1
135.08060	1.3
135.11702	9.7
136.07578	0.9
137.06001	0.3
137.09604	0.4
138.09135	2.7
139.03941	1.0
139.07526	1.4
139.11194	1.0
145.02803	0.4
145.10156	1.2
149.02348	11.3
153.00752	0.6
153.05405	0.3
158.01265	0.5
163.02525	0.5
163.03909	8.6
163.07568	0.5
163.11198	5.4
164.07056	0.7
166.07791	0.3
181.04941	0.5
181.06398	0.3
181.08617	0.5
181.09996	0.6
181.12227	4.2
182.08214	0.2
190.85582	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
50.99384	1.2
55.01864	1.7
55.05498	3.2
56.96567	5.1
57.03449	1.2
57.06821	1.7
57.07080	22.9
59.04981	2.3
67.05487	3.6
68.05023	1.4
69.03412	2.1
69.07073	3.7
69.65425	1.2
70.69674	1.1
70.73817	1.3
71.07642	1.8
71.07967	1.5
79.05489	11.2
81.03422	4.8
81.07071	6.5
83.04984	45.0
83.08585	1.8
85.06553	1.5
91.05472	4.6
93.07053	10.4
95.04972	16.1
97.06539	25.6
98.97581	22.8
99.05595	1.2
105.07029	4.7
107.04947	2.2
107.08597	11.5
109.06543	1.5
112.08731	1.6
116.97253	3.5
116.98620	26.9
117.07020	1.9
119.08573	2.5
121.06485	2.2
121.10161	14.9
122.07110	2.2
124.84621	1.4
125.05997	64.2
130.07744	2.2
134.99667	25.0
135.04391	1.9
135.11755	7.0
139.06152	1.6
139.09793	5.6
140.00188	3.0
145.10109	10.3
153.00693	3.5
153.11395	1.7
158.01257	4.6
163.03850	2.0
163.11188	100.0
164.11638	1.3
165.06996	5.6
166.07768	10.7
167.08414	2.1
181.04852	2.8
181.10175	16.7
181.12248	35.8
182.10878	1.3
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	3-tert-Butyl-5-methylcatechol
Peak:m/z	Relative Intensity
50.17970	0.7
53.03942	1.8
55.01877	1.2
55.05515	12.0
56.96558	1.6
57.03448	1.3
57.07087	5.1
57.07323	1.0
59.05000	1.0
63.01439	0.7
65.03943	1.2
67.05511	11.0
69.03426	1.8
69.07087	5.9
69.45137	5.9
71.01355	1.2
71.04998	1.4
77.67378	0.8
79.05499	8.1
81.07066	8.8
83.04993	8.3
83.08599	1.5
85.06532	2.8
91.05486	10.5
93.06467	1.6
93.07052	29.5
95.04994	5.0
95.08044	1.4
95.08619	19.6
96.76315	0.8
97.06541	15.6
98.21520	1.3
98.97595	14.0
105.04536	0.9
105.07039	6.4
106.07810	1.1
107.04974	2.2
107.08603	24.8
109.06535	3.3
109.10146	2.4
111.04456	24.9
111.08083	10.4
113.06001	1.9
116.97231	0.9
116.98631	9.5
117.07019	1.9
119.06042	0.9
119.08607	5.0
120.09361	0.8
121.06541	4.3
121.10143	7.2
123.08065	1.9
125.06004	70.1
126.06388	1.0
130.07784	3.0
134.99663	5.4
135.08066	9.2
135.11710	23.1
137.06052	0.8
137.09572	0.9
138.06760	8.7
139.07568	2.4
145.10135	13.5
153.12752	7.0
163.03918	1.1
163.11206	15.6
165.66203	0.9
166.07762	2.2
166.56116	0.9
181.12251	100.0
182.12524	1.3
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	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.05513	4.1
56.96548	2.1
57.06821	2.1
57.07076	21.5
59.05004	2.5
66.04723	1.2
67.05489	2.7
69.03400	1.2
69.07061	3.2
69.55331	3.7
69.55752	4.6
71.54250	1.2
79.05494	8.9
81.03432	7.0
81.07043	4.4
83.04984	50.0
85.56346	1.1
91.05477	3.7
93.07037	8.9
95.04967	16.7
97.06538	25.3
98.97584	8.6
99.23101	1.2
105.07050	5.4
107.04972	3.0
107.08611	11.0
116.98634	5.8
117.07008	2.4
119.08575	3.6
121.06492	3.5
121.10128	13.1
125.05996	68.1
130.07768	2.3
133.10098	1.2
134.99695	4.2
135.11688	8.1
143.66519	1.3
145.10159	10.3
158.61407	1.1
163.11188	100.0
164.11563	2.2
165.07014	1.7
166.07747	2.8
172.62695	1.4
181.10146	4.7
181.12233	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	181.1224
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
50.66584	0.9
52.28109	0.9
53.03934	1.7
55.01866	1.3
55.05504	2.3
57.06824	1.6
57.07082	23.3
58.28686	1.1
59.04986	2.3
61.21437	0.9
67.05493	1.2
69.03413	1.1
69.07069	3.8
71.07227	2.3
79.05509	8.5
81.03432	5.2
81.07069	3.6
83.04989	50.2
91.05462	3.0
93.07050	6.4
95.04988	15.2
97.06542	24.8
98.97628	5.9
105.07031	6.7
107.04970	1.4
107.08619	9.6
116.97243	1.5
116.98627	4.8
117.06971	1.4
119.08567	2.3
121.06514	1.9
121.10164	12.2
125.06003	64.6
126.06310	1.0
130.07753	1.2
134.99692	2.7
135.11707	5.8
145.10121	12.3
159.06961	1.1
163.11198	100.0
164.11496	1.8
165.06949	1.7
166.07758	1.8
181.10181	4.4
181.12247	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
52.74245	0.6
53.92965	0.4
55.05498	2.3
56.96564	1.1
57.07069	1.7
59.05000	3.3
64.24992	0.5
67.05508	2.2
69.03407	1.8
69.07060	3.9
70.37974	1.5
73.02885	0.6
74.50402	0.6
76.06968	0.5
79.05502	5.6
81.07063	7.2
83.04962	0.7
83.08615	1.0
88.32728	0.5
91.05482	2.3
93.07051	18.0
95.08614	13.1
97.06548	2.8
98.97598	8.4
105.07028	3.4
107.04920	1.2
107.08599	31.2
109.06539	1.0
109.10143	2.8
111.04388	1.0
111.08084	1.2
116.98632	5.2
117.06956	0.9
119.08584	3.8
121.06520	4.1
121.10152	15.6
121.58213	0.5
123.08055	3.5
125.05988	3.4
130.07832	0.8
130.11960	0.7
134.99652	2.6
135.08102	0.8
135.11700	41.2
137.09642	0.7
137.13217	1.0
139.07536	7.4
145.10120	10.6
153.12737	2.0
163.11194	25.3
181.12242	100.0
182.12578	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.0
55.05505	0.9
57.03442	100.0
57.07069	0.8
67.05509	1.2
69.03409	0.7
69.07087	0.6
69.68207	3.9
77.52876	0.7
79.05501	3.2
80.96419	0.7
81.07058	3.0
83.04975	2.9
91.05478	1.8
93.07043	4.9
95.04959	2.0
95.08607	1.0
97.06538	1.7
98.20809	1.3
98.97603	4.9
105.07034	2.5
107.04950	1.4
107.08606	4.6
108.08120	0.8
109.06537	1.3
116.98640	4.7
119.08567	0.9
121.06492	0.8
121.10154	18.6
123.08060	2.7
123.11695	1.3
125.06015	3.5
134.99677	2.0
135.04462	0.8
135.08020	1.3
135.11684	3.1
136.07567	1.8
145.10107	0.9
146.50389	0.7
163.03914	1.9
163.11214	5.8
163.14819	0.9
164.07043	1.0
181.08624	18.6
181.12181	3.3
182.04468	1.0
182.08173	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03939	2.2
55.01852	4.1
55.05509	7.4
57.03431	3.3
57.06820	2.0
57.07080	22.8
59.04995	4.4
59.42695	1.6
67.05506	7.8
69.03445	8.8
69.07080	9.3
70.96961	3.8
71.04993	2.6
79.05491	22.8
81.03400	4.5
81.07053	22.5
83.04985	46.5
83.08607	4.0
85.02899	4.0
89.46751	1.5
91.05472	10.4
93.07050	36.4
95.04974	27.2
95.08613	9.4
97.02872	3.1
97.06536	22.8
98.97585	10.6
105.07010	12.8
107.04981	2.9
107.08596	25.5
109.06514	3.4
109.10144	4.4
111.08110	3.7
116.98618	7.9
117.07021	3.5
119.08586	8.4
121.06499	6.5
121.10148	73.2
123.08055	5.4
123.11711	2.3
125.06000	58.5
130.07777	3.4
134.99646	6.0
135.04407	2.6
135.07990	8.3
135.11714	19.7
136.07584	3.0
137.09604	2.2
139.11179	4.2
145.10123	20.0
153.00766	1.7
153.07195	2.0
153.12717	1.6
163.03917	6.1
163.11194	100.0
181.04953	3.2
181.06462	2.2
181.08560	4.5
181.10533	2.9
181.12228	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0496
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
52.61031	0.3
53.03927	0.7
63.02367	0.5
65.03920	0.6
67.05483	0.4
70.23579	0.8
70.23969	0.5
70.74857	0.3
79.05501	3.3
80.59911	0.3
89.03922	16.8
91.05496	1.6
93.03410	0.9
95.04970	0.8
97.51003	0.3
98.97575	1.0
107.04970	6.2
111.04456	2.8
116.98589	0.8
117.03387	21.4
121.10136	0.6
135.04425	37.9
136.04756	0.5
139.03903	2.4
145.02856	23.3
163.03912	100.0
164.04248	1.4
168.36330	0.3
181.04951	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0496
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
53.03946	0.7
63.02364	0.5
65.03932	1.6
77.81154	0.4
79.05491	4.6
82.16550	0.4
89.03922	18.3
91.05499	1.3
93.03414	2.2
95.04980	0.7
98.79267	0.4
98.97594	1.9
107.04959	5.6
111.04456	5.8
116.98641	1.7
117.03387	21.0
119.04956	0.6
121.06499	0.4
134.99719	0.7
135.04425	40.9
136.04782	0.7
139.03903	7.4
145.02861	27.1
153.07288	0.4
163.03918	100.0
164.04251	1.8
169.46918	0.4
181.04962	1.0
181.18587	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.0
51.84394	1.0
53.03941	2.3
55.01870	2.5
55.05511	11.2
55.95383	1.0
57.03456	1.3
57.07084	12.6
57.33574	1.1
64.07141	1.0
65.03934	2.3
67.05510	49.2
69.03439	1.9
69.07069	12.7
71.05025	0.9
71.08632	2.1
71.56464	1.0
72.04520	4.1
79.05496	10.7
81.07061	74.5
82.07375	1.0
83.04984	1.2
83.08624	3.7
85.10212	2.3
91.05482	28.6
93.07053	10.2
95.04967	5.4
95.08612	98.7
96.08904	1.9
97.06492	1.2
97.10144	2.0
101.07108	1.1
105.03394	2.1
105.07042	21.1
107.08594	10.1
108.04491	1.3
109.06547	4.4
109.10163	100.0
110.10484	1.4
117.07088	1.2
119.04942	6.0
119.08601	9.7
121.06535	2.9
121.10133	3.1
123.04427	10.8
123.08070	4.4
123.11716	62.6
124.12034	1.3
131.08620	1.3
133.02876	2.8
133.06511	5.2
133.10146	24.3
135.11620	1.7
137.05971	3.8
137.09636	2.7
137.13271	11.5
143.08603	1.2
147.04410	6.5
151.03926	6.4
151.07538	2.1
151.11185	3.0
161.06018	4.6
161.09633	7.6
161.13252	3.1
164.04099	1.4
176.44318	0.9
179.03409	19.3
179.06659	4.9
179.08397	1.5
179.08926	1.1
179.10669	21.5
179.14302	3.9
179.17961	20.5
180.03658	1.0
180.18340	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57576	0.4
53.03945	0.9
54.99175	0.4
55.01868	2.2
55.05513	10.8
55.85567	0.4
57.03435	1.1
57.07077	10.9
65.03951	1.0
67.05506	48.7
69.03434	0.9
69.07069	11.8
71.04993	1.0
71.08625	3.2
72.24170	0.4
79.05492	10.0
81.03422	0.5
81.07060	80.5
82.07381	1.0
83.04981	1.9
83.08617	5.8
85.06534	0.6
85.10204	2.5
91.05482	9.1
93.07052	9.4
95.04985	3.1
95.08610	100.0
96.08924	1.1
97.06539	1.6
97.10180	2.1
97.10779	0.5
102.93787	0.4
103.05487	0.9
105.03345	0.6
105.06374	0.9
105.07037	11.8
107.04996	0.6
107.08601	5.1
108.04475	0.6
109.06541	3.2
109.10160	96.6
110.10491	1.3
117.06995	0.8
119.04972	2.4
119.08585	12.5
121.06508	1.4
121.10141	4.9
123.04431	5.2
123.08105	3.8
123.11712	59.0
124.12028	1.1
131.08604	0.7
133.02870	1.4
133.06490	1.9
133.10135	11.4
134.05946	0.6
135.04381	0.7
135.08110	0.5
135.11702	6.0
137.05980	1.6
137.09619	1.8
137.13252	11.9
143.08565	0.6
146.03639	0.5
147.04391	3.2
151.03951	2.5
151.07547	0.9
151.11205	1.5
151.14803	0.7
161.05969	1.5
161.09641	2.7
161.13268	11.6
164.04054	0.5
172.61440	0.4
179.03404	8.7
179.06592	3.0
179.08450	0.8
179.10695	5.0
179.14333	12.6
179.17957	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	179.1068
Annotation	2-Phenylpropyl acetate
Peak:m/z	Relative Intensity
53.03942	2.9
55.01878	3.5
55.05511	5.6
56.96571	5.0
57.03446	1.7
59.47850	0.7
60.53646	0.6
63.78880	0.6
65.03936	2.2
67.05507	21.7
69.03432	2.2
69.07074	4.6
69.45325	5.3
70.98119	1.5
71.04997	7.8
74.92191	0.7
75.14041	0.7
79.01844	0.6
79.05499	29.2
81.03419	6.0
81.07067	15.5
83.04988	6.9
83.08607	1.3
85.02911	0.9
85.06516	1.3
86.09110	0.7
88.99162	1.0
91.05487	99.0
92.05799	1.7
93.03415	1.1
93.07053	12.9
94.04208	1.1
95.04967	10.8
95.08614	10.4
97.02899	6.2
97.06541	3.6
98.21420	1.4
98.47488	0.6
98.98473	1.4
99.04465	1.2
103.05467	2.3
105.03419	1.8
105.04531	1.1
105.07036	44.6
105.51368	0.7
107.04960	3.3
107.08591	4.6
108.04494	1.3
109.02852	1.3
109.06512	2.8
109.10181	5.1
111.08156	1.0
113.06033	1.1
115.05461	3.3
117.06207	1.5
117.07024	19.6
119.04950	3.1
119.08590	100.0
120.08915	1.8
121.06509	1.3
121.10130	2.3
123.04445	9.1
123.08052	3.0
123.11701	2.8
128.06242	4.5
131.07715	0.7
131.08536	3.9
133.02882	3.7
133.06532	5.4
133.10139	41.9
134.10564	0.7
135.02037	1.2
135.03029	1.0
135.04410	1.3
135.08049	1.9
135.11713	1.7
136.02142	0.9
137.05968	1.7
137.09590	3.3
143.08542	9.5
144.02567	2.0
146.07295	1.1
147.04445	6.1
149.09648	1.3
151.03900	2.8
151.07570	1.3
151.11183	3.2
161.02383	1.2
161.06017	3.9
161.09624	19.6
161.13269	4.9
163.03902	7.9
164.04102	2.1
179.03407	16.6
179.06499	6.9
179.08565	1.4
179.10680	27.1
179.14226	5.4
180.10915	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1068
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
55.01868	2.4
55.05499	3.6
55.84331	1.0
56.47350	1.0
59.04998	3.1
65.03941	1.0
67.05492	3.5
69.03437	1.6
69.07082	1.4
69.55840	7.6
71.68142	1.3
76.26305	1.0
79.05487	5.6
81.03403	1.1
81.07059	9.2
91.05486	19.0
93.07042	19.8
95.04974	5.8
95.08614	3.6
96.23596	1.1
98.21452	2.2
105.03380	1.5
105.06387	2.2
105.07041	31.9
107.04949	1.5
107.07867	2.0
107.08601	41.6
109.06513	4.2
109.10143	4.1
115.05428	2.2
117.07008	1.9
119.04946	4.1
119.08582	8.8
121.06535	5.9
121.10120	1.8
123.04412	9.5
123.08084	2.9
123.11696	4.0
131.04857	1.0
131.08591	2.6
133.02852	3.2
133.06491	4.1
133.10139	80.5
135.08011	1.4
135.11705	2.9
137.05991	4.0
137.09596	4.1
143.04927	2.2
143.08539	2.1
146.07304	1.7
147.04379	2.5
151.03923	3.2
151.07567	1.2
151.11223	7.0
161.06001	3.5
161.09642	25.7
172.90137	1.1
179.03413	13.3
179.07072	3.5
179.10681	100.0
180.11009	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
53.40683	0.4
55.01872	2.0
55.05503	0.6
56.96571	8.6
57.03441	2.3
57.07045	0.5
58.99857	1.8
59.04994	0.4
60.95839	1.1
60.99605	0.5
61.02908	1.5
65.03886	0.4
65.08067	0.3
67.05479	1.5
68.46719	0.4
69.03431	3.6
69.07054	0.6
69.54483	1.0
69.54893	1.9
70.06583	0.4
70.98101	0.6
70.99836	1.1
71.04990	0.7
73.02895	1.4
75.01097	0.4
77.00900	2.1
79.00656	0.9
79.05497	4.0
80.05001	0.4
80.36014	0.3
81.03413	2.4
81.07058	0.8
82.01452	3.8
82.99834	1.3
83.04979	0.6
84.08138	0.7
84.96029	0.8
85.02905	2.8
89.00864	0.7
90.17282	0.4
91.02453	0.5
91.05465	2.5
93.02201	1.3
93.07078	0.6
94.54292	0.4
95.01317	0.6
95.04970	1.5
95.08593	0.7
97.02900	5.3
97.06525	1.1
97.54681	0.3
98.97585	3.5
99.04456	1.0
100.02492	19.8
101.00884	19.4
101.02551	2.9
102.00945	0.6
102.02283	0.8
102.96845	0.6
103.00625	1.1
103.02421	1.4
103.54795	0.5
105.00370	0.5
105.02132	0.5
105.07030	1.1
106.00373	0.6
106.02692	0.5
107.63315	0.4
108.04461	0.6
109.02897	1.4
109.06510	0.9
110.02221	0.4
111.03275	0.6
111.04432	0.7
112.99181	0.4
113.00935	1.4
113.02357	1.3
114.02362	0.6
114.04039	0.7
115.00607	0.5
115.02453	3.4
115.04003	0.6
116.08419	1.0
116.98650	2.1
117.02048	0.6
118.01150	0.8
118.03529	9.1
119.01927	100.0
119.04868	2.9
120.01993	3.4
120.03309	0.6
120.54047	0.4
120.97887	0.5
121.01640	3.3
121.02310	0.4
121.03522	0.7
122.02212	0.4
123.01450	0.6
123.04401	0.7
124.07570	0.5
126.02477	0.4
127.02386	0.5
127.03906	1.0
128.98579	1.1
129.04031	0.8
131.01909	4.2
132.01955	0.6
132.05074	0.6
133.00793	0.7
133.01706	3.1
133.03499	9.9
133.06488	1.0
133.10129	0.5
133.52800	0.4
134.06021	1.6
134.99672	1.1
135.03189	1.2
137.02965	31.9
137.05942	0.9
138.03102	0.9
141.01300	0.4
141.02776	0.6
141.99535	0.4
142.01346	0.6
142.03491	2.6
142.25359	0.4
142.96510	0.6
143.01920	5.0
144.03667	0.4
144.99854	1.5
145.03429	2.0
145.99945	1.3
146.99599	2.3
147.01399	0.9
147.04311	4.4
149.03014	0.7
150.05260	0.7
151.02780	0.6
151.04579	3.1
152.07159	0.7
153.04070	0.5
154.03526	1.2
155.01917	2.5
156.01971	1.2
156.03189	0.9
156.05083	4.3
156.97540	1.5
157.03531	3.1
158.06642	0.9
159.01445	0.7
159.03951	1.6
159.05893	0.6
160.04587	0.9
160.97589	0.6
161.02971	23.8
161.05899	0.7
161.07141	1.7
162.03108	1.4
162.05585	0.8
163.00903	0.4
165.00723	0.5
167.01935	0.4
168.04416	0.4
168.06316	0.6
169.03526	1.2
171.01434	1.2
171.05078	0.7
172.04614	0.5
172.99397	0.7
173.01273	0.7
173.02988	2.7
173.06696	0.6
173.99477	2.3
174.03105	2.1
174.06142	1.8
174.98669	1.3
175.00955	1.3
175.02791	0.7
175.04530	1.7
176.07639	0.8
177.00758	0.6
177.02484	0.5
178.98537	0.6
179.00725	0.8
179.02231	2.9
179.04042	27.7
179.06685	1.4
179.08224	0.7
179.10776	1.0
179.99115	0.9
180.04059	0.6
180.06616	0.6
183.04982	0.5
184.04604	1.1
185.02946	1.2
187.00865	0.5
187.04494	1.0
188.07722	1.1
189.02499	0.6
191.00449	0.5
192.00586	2.2
192.04109	0.4
193.01947	0.6
193.03886	0.5
193.05562	0.8
197.01132	0.7
197.02795	2.3
197.06580	0.5
198.00266	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0339
Annotation	Esculetin
Peak:m/z	Relative Intensity
53.22763	0.3
53.30119	0.3
67.05479	0.6
70.72168	0.9
75.59576	0.3
77.03931	1.2
89.03928	1.7
95.04941	1.1
105.03401	3.3
109.02846	0.6
116.33044	0.3
117.03390	1.2
123.04430	39.2
133.02858	28.3
133.03609	0.4
133.03923	0.4
135.04388	4.1
137.05972	0.5
151.03899	9.2
161.06058	0.4
172.82130	0.3
179.03398	100.0
180.03740	1.5
191.50769	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.034
Annotation	6,7-Dihydroxycoumarin 
Peak:m/z	Relative Intensity
51.02386	0.3
53.03950	1.0
55.01869	0.5
65.32484	0.4
67.05511	0.6
69.52484	2.6
77.03934	2.7
79.05495	1.4
89.03924	4.1
91.05473	1.0
93.07030	0.6
95.04962	1.9
95.08622	0.6
98.20760	0.8
102.65410	0.3
105.03404	7.7
105.04478	0.5
105.07027	1.7
107.04961	1.2
107.08605	0.5
117.03387	2.7
119.04948	0.6
119.08571	0.8
123.04440	16.2
133.02864	35.8
133.06485	0.7
133.10162	0.6
135.04430	8.0
136.59421	0.4
137.05969	0.5
137.09567	0.5
145.03995	0.7
147.04396	0.8
151.03937	2.4
161.02357	2.7
161.05986	1.3
161.09633	0.5
161.13264	0.4
179.03410	100.0
179.10675	1.0
180.03767	1.8
192.26248	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.5
57.07056	0.7
65.69647	0.5
67.05482	1.1
71.55152	0.9
79.05497	1.1
81.07032	1.7
82.01437	1.0
82.99839	1.0
91.05489	2.6
93.07057	0.7
94.77442	0.5
95.04937	0.7
95.06109	0.6
95.08617	1.4
100.02520	2.9
101.00881	19.2
105.07048	3.2
106.06551	0.8
107.04950	0.7
108.04491	1.7
114.95677	0.8
115.01219	0.9
115.02438	1.4
118.03522	1.5
119.01929	100.0
119.04922	2.3
119.08579	1.3
120.02039	2.8
121.10149	0.9
123.04361	0.6
125.95303	0.6
133.01720	1.1
133.03490	11.3
133.06497	1.4
133.10158	2.3
134.02983	0.6
135.11746	0.6
137.02965	35.4
137.08200	1.0
142.03526	2.1
143.01915	0.7
147.04407	3.4
151.04597	4.3
151.07565	0.6
152.07089	1.0
156.03264	0.9
156.03870	0.8
156.05067	5.9
156.97484	1.4
161.02975	22.5
161.06001	1.6
161.09673	1.2
161.13271	1.2
162.03255	0.8
163.07607	0.7
174.03099	1.3
174.06201	2.3
174.98650	1.3
175.02882	0.6
175.04494	0.6
179.04056	29.9
179.06644	2.3
179.10741	2.3
179.14339	1.3
179.99240	1.0
180.04149	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.034
Annotation	Esculetin
Peak:m/z	Relative Intensity
51.02381	0.4
53.03935	1.0
55.01862	1.0
65.03947	0.5
67.05499	1.7
68.74545	0.4
69.77856	1.8
77.03924	1.3
79.05489	1.2
81.07052	1.2
82.94689	0.4
89.03905	2.9
91.05461	1.5
93.07037	1.3
95.04953	2.2
95.08597	0.5
103.05455	0.4
105.03407	4.9
105.04499	0.5
105.07046	2.3
107.04980	0.9
107.08578	0.8
109.06479	0.6
109.10141	0.9
112.78102	0.4
117.03374	2.0
119.04965	0.4
119.08552	1.5
121.06516	0.4
121.10124	1.1
123.04435	35.5
123.08044	0.9
127.36127	0.4
133.02858	32.0
133.06474	1.0
133.10127	1.5
135.04428	4.4
137.05968	0.5
147.04425	1.8
151.03897	7.5
151.07573	0.7
151.11162	0.8
161.02338	1.1
161.05975	0.9
161.09630	0.7
161.13219	0.6
179.03403	100.0
179.10686	1.4
179.14261	0.9
180.03687	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.3
53.03954	0.9
55.01875	1.7
55.05509	0.5
59.04981	0.3
60.84213	0.2
63.45932	0.3
65.03948	0.3
67.05517	2.1
68.99786	0.7
69.03436	0.5
69.07069	0.5
71.56167	0.4
76.02232	0.3
77.03942	1.1
79.05508	2.7
81.03429	0.6
81.07065	2.4
83.04971	0.4
83.11871	0.2
89.03916	2.2
89.81558	0.2
91.05486	3.6
93.07064	1.5
95.04973	3.4
95.08622	1.6
103.05487	0.5
105.03404	4.8
105.04521	0.4
105.07036	5.8
107.04961	1.2
107.08601	1.4
109.02872	0.7
109.06502	1.2
109.08488	0.3
109.10161	0.9
111.04427	0.4
115.05451	1.4
117.03403	0.8
117.07027	0.7
118.04236	0.3
119.04954	2.4
119.08580	2.3
121.06538	1.9
121.10139	0.7
123.04440	43.2
123.08040	1.2
123.11722	0.4
124.04754	0.3
131.04903	0.4
133.02866	29.7
133.06483	2.9
133.07425	0.3
133.08516	0.5
133.10132	4.3
134.03197	0.3
135.04419	4.3
136.08838	0.3
137.05991	6.2
137.09624	1.1
143.04893	1.2
146.03674	0.3
146.07245	0.4
147.04422	2.6
151.03920	12.4
151.07536	0.9
151.09427	0.3
151.11174	0.8
161.02333	0.7
161.04630	0.3
161.05992	6.9
161.07999	1.5
161.09586	1.9
161.13254	0.5
162.04265	0.7
164.04086	0.3
179.03413	100.0
179.10590	3.5
179.14293	0.9
180.03725	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.05
Annotation	Isalexin
Peak:m/z	Relative Intensity
51.02375	1.0
53.03951	8.2
55.01870	0.7
55.05501	0.4
63.02371	0.6
67.05510	0.6
69.03408	0.3
69.07065	0.3
69.42182	2.1
70.07407	0.2
77.03938	5.5
78.03448	0.3
81.03413	0.8
81.07059	0.7
88.02188	0.5
91.05494	0.5
92.05878	0.2
93.07038	0.6
93.82404	0.3
94.07402	0.4
95.04975	11.0
95.08620	0.7
96.04503	2.2
96.08954	0.2
104.05002	22.5
105.03379	0.5
105.04523	3.0
105.05256	0.4
105.07047	0.7
106.07330	0.3
107.08588	0.9
108.04465	0.4
108.08208	0.4
108.08936	0.8
109.10149	0.3
121.10172	0.5
122.06023	0.3
122.10482	0.7
123.04454	0.7
130.03970	0.3
132.04460	1.1
133.06483	0.3
133.10130	0.5
136.12022	0.4
137.06062	0.3
137.09592	0.3
146.03215	0.4
150.05481	0.7
150.09158	0.7
151.03911	0.4
160.03905	1.4
161.06004	0.3
178.05005	100.0
178.16733	0.7
179.03398	0.5
179.05421	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.05
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.4
53.03952	7.3
55.01863	0.8
55.05518	3.2
56.05854	2.1
57.07060	0.6
65.03925	0.8
67.05506	2.0
68.05824	0.9
69.07070	6.2
70.07399	3.7
76.57496	0.4
77.03934	5.1
78.03452	0.5
79.05496	4.4
80.05825	2.1
80.30749	0.3
81.03413	1.0
81.07058	4.0
82.07397	2.8
83.08619	2.9
84.08948	2.4
87.00708	0.4
88.02211	1.7
91.05488	2.1
92.05821	2.3
93.07055	7.3
94.07379	6.2
95.04971	10.4
95.08611	7.4
96.04482	2.1
96.05355	0.5
96.08945	9.4
97.10159	0.4
104.05000	20.2
105.03386	0.9
105.04525	2.9
105.07046	2.9
106.07342	2.3
107.08608	10.3
107.87364	0.4
108.08182	0.8
108.08932	16.5
109.10148	2.3
110.10489	3.2
114.03741	0.4
118.03768	0.9
118.96752	0.5
119.08573	1.0
120.08906	0.6
121.09320	0.7
121.10152	11.4
121.11022	0.7
122.10485	26.6
123.04418	1.6
130.04048	0.5
132.04439	1.6
132.08090	0.9
133.02858	0.9
133.06458	0.9
133.10074	1.8
135.11678	1.3
135.32881	0.4
136.12044	5.0
137.05986	0.5
146.03226	1.1
147.04457	0.6
149.13251	0.5
150.05434	0.6
150.13649	2.4
151.03888	1.1
151.11183	1.2
160.03889	1.9
160.07629	1.2
160.33426	0.4
161.06021	0.5
161.09627	0.6
178.05000	100.0
178.16737	21.2
179.03395	3.4
179.05302	1.7
179.10658	1.4
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
53.03937	1.1
55.05516	1.1
59.41739	0.4
62.01545	0.5
63.02369	1.3
67.05494	0.8
69.07075	1.2
69.72692	3.2
69.79078	0.5
78.04712	2.9
79.05492	2.7
81.07072	1.3
83.08627	0.5
88.23613	0.5
89.03922	50.3
91.05486	5.5
93.07044	3.6
94.90019	0.7
95.04990	0.9
95.08609	2.3
98.98473	14.2
103.05477	2.8
105.07051	1.5
106.04174	4.1
107.04962	1.0
107.08593	2.7
109.10127	0.6
117.03384	84.4
118.03706	1.5
119.05003	0.6
119.08501	0.6
121.06469	1.0
121.10162	3.8
124.05219	1.5
131.04955	1.0
131.08600	1.8
133.06564	0.7
133.10158	0.8
134.03648	11.1
135.04425	8.3
135.08131	0.6
135.11722	1.2
136.06180	0.5
138.03029	0.5
145.02852	100.0
146.03214	1.9
149.02364	2.9
149.05986	28.2
150.06398	0.6
153.93675	1.2
158.06007	1.9
159.07982	0.6
162.03076	1.0
163.03871	2.0
164.55165	0.5
173.74002	0.6
177.05476	32.2
177.09103	1.9
177.12733	2.7
177.16368	2.6
186.05505	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	177.0548
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
50.01592	0.6
50.83414	0.5
53.03946	1.4
55.01867	0.9
55.05504	0.9
59.04999	0.6
63.02383	1.1
65.95219	0.5
67.05509	1.0
69.07064	1.2
70.64925	0.5
78.04707	3.1
79.05501	1.8
81.07051	1.7
81.12924	0.5
83.08608	0.8
88.02200	0.7
89.03925	48.6
91.05485	4.8
93.07051	3.9
94.90040	0.8
95.04971	1.2
95.08616	1.1
95.32873	0.4
98.97853	1.0
98.98479	15.2
103.05496	2.4
105.03407	1.1
105.07047	1.2
106.03552	0.5
106.04178	3.4
107.04961	1.6
107.08594	2.6
109.10162	0.8
117.03390	78.6
118.03725	1.6
119.04981	1.0
121.02772	0.8
121.06523	1.8
121.10153	5.1
124.05207	1.7
125.53937	0.5
131.04947	0.9
131.08575	1.6
133.10141	0.9
134.03647	10.2
135.04436	7.4
135.11700	1.6
145.02858	100.0
146.03191	2.0
149.02367	3.3
149.05994	27.3
149.09557	0.7
149.13341	0.6
153.93715	1.3
158.05992	2.7
159.07945	0.6
159.11700	0.7
162.03123	1.8
163.03893	2.1
177.05486	28.1
177.09044	1.3
177.12817	3.7
177.16394	2.3
186.05492	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	177.0073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02713	0.6
55.74889	0.7
56.96286	1.5
56.96572	28.4
57.03415	0.7
58.99872	0.8
69.97572	0.6
71.06793	0.7
71.07118	1.4
71.95261	3.7
77.00930	1.1
77.38452	0.6
79.05486	0.8
82.01431	0.8
84.40902	0.8
89.03916	5.1
89.51575	1.7
90.51500	1.2
91.05534	0.8
93.07049	1.2
94.90023	5.6
98.97591	100.0
99.97935	0.8
100.02474	3.5
101.00884	7.0
101.02390	0.7
103.02454	1.2
105.02264	0.7
106.00287	0.9
106.04175	0.7
113.00890	5.9
116.98631	92.1
117.03385	9.8
117.99036	1.5
118.03538	2.2
118.92086	4.3
118.96731	0.9
119.01932	35.1
120.02045	0.9
121.01698	1.7
121.06546	0.8
121.48629	0.8
125.01896	1.4
127.98952	1.2
129.03961	0.9
129.99376	1.1
130.49249	3.3
131.00288	1.5
131.01920	35.2
132.01985	0.7
132.96576	0.7
132.99588	1.7
133.01744	0.8
134.03677	1.6
134.99670	61.2
135.03229	1.7
135.04376	0.6
135.92693	3.7
136.00043	3.6
136.02434	1.2
136.92105	1.4
136.93121	16.3
136.99838	0.8
137.02966	11.4
138.49959	1.0
139.49739	11.1
140.00182	2.8
141.50172	0.9
141.99997	4.5
142.03542	1.3
145.02791	10.1
149.01225	0.9
149.02977	8.8
149.05977	3.1
150.00745	0.8
150.50726	0.8
151.00568	9.5
151.50629	1.2
153.00706	8.8
153.37897	0.8
153.93712	9.4
154.01146	4.1
154.02240	1.3
154.03500	15.0
154.92981	1.7
154.94194	28.5
155.01897	1.6
157.97614	0.9
158.01289	2.8
158.97221	1.5
159.01341	1.0
162.50943	0.8
171.94818	1.2
171.99165	1.5
172.01570	2.1
172.04492	3.8
172.95299	55.2
173.01128	0.9
173.02951	3.8
176.98375	0.7
177.00911	7.2
177.02475	4.6
177.05487	2.8
178.01103	0.7
186.10144	0.7
186.96819	0.9
190.00273	2.1
190.02487	0.9
190.96487	22.5
191.04005	1.2
195.97014	0.9
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	Ionene
Peak:m/z	Relative Intensity
53.03933	0.9
55.05519	5.2
67.05508	1.6
69.07072	12.1
69.88881	2.2
69.89288	1.5
79.05497	3.8
79.08958	0.8
81.07061	12.7
83.08616	2.7
91.05486	11.0
93.07049	7.0
95.08606	7.7
98.98475	4.7
105.07037	27.4
107.08606	8.1
111.46876	0.7
115.05450	0.8
117.07006	2.4
119.08591	73.7
120.08949	1.4
121.10150	1.9
129.07004	1.4
131.08583	6.3
133.10138	100.0
134.10524	1.2
145.10149	5.5
145.11226	0.9
146.10867	2.0
147.11697	14.5
160.12540	3.3
160.70093	0.7
173.13280	1.5
175.14844	77.0
176.15152	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1484
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03948	0.6
55.05519	3.5
56.94305	0.6
57.03431	0.3
57.07083	0.5
65.03944	0.9
67.05506	2.0
69.03429	0.3
69.07075	5.2
70.06603	0.3
70.74018	0.3
71.18858	0.3
71.56213	0.3
72.08151	0.5
72.93767	0.5
77.03927	0.3
79.05508	2.7
81.07063	9.9
83.08629	1.0
85.01151	0.6
85.05313	0.3
87.02735	0.3
90.94846	0.6
91.05489	10.7
92.90105	0.7
93.07057	4.0
95.04983	0.8
95.08038	0.6
95.08617	6.8
95.10039	0.2
96.04497	0.5
97.02912	0.8
98.98476	27.6
103.05456	1.0
103.27143	0.3
103.60532	0.3
105.03378	0.4
105.07041	20.7
107.05018	0.4
107.08604	4.4
109.10156	0.4
111.04457	0.5
112.02209	0.6
115.05468	6.8
116.06264	0.5
116.99515	0.7
117.07014	3.8
119.04952	1.2
119.08594	34.8
120.08871	0.3
121.10136	0.8
122.75505	0.3
128.06247	0.5
129.07002	2.4
130.06548	1.1
131.04976	0.5
131.08591	4.3
132.05743	1.4
132.09386	0.5
132.95856	2.7
133.10141	100.0
134.10466	1.8
142.07793	1.2
143.04924	1.1
144.05687	1.9
145.06500	0.6
145.10127	2.6
146.10890	1.2
147.04424	1.2
147.08063	2.0
147.11702	7.7
150.96838	1.3
157.06471	0.7
157.07642	0.4
157.10176	0.9
158.06042	0.6
160.05219	11.1
160.08829	0.6
160.12575	1.4
173.13319	0.8
174.13574	0.4
175.04034	0.7
175.06230	0.4
175.07549	15.8
175.11246	5.1
175.14842	38.8
176.15140	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	1.5
55.05515	50.7
56.21151	1.6
59.05007	12.7
67.05482	6.1
67.51416	1.5
69.03419	2.3
69.07071	13.9
70.12630	7.0
71.08635	100.0
72.93781	9.2
73.06567	1.4
76.02235	3.1
79.93373	1.6
81.07036	5.1
83.04980	51.2
85.06530	2.1
87.04465	2.5
89.02399	4.0
90.90358	7.9
90.94839	10.8
91.05476	14.3
99.04474	2.7
99.07480	3.6
99.08099	54.5
101.06026	36.8
103.03291	6.6
105.07022	12.1
108.95868	4.0
111.03716	3.1
111.04451	49.5
113.05998	5.9
115.05426	3.4
116.06203	3.2
117.07017	14.1
119.08571	13.5
127.07562	8.0
128.06215	3.6
129.05493	24.7
129.06975	12.2
129.12750	5.1
130.07808	9.2
131.08577	77.3
131.92993	2.6
133.10146	2.9
137.05966	2.4
143.08546	18.6
144.09332	8.4
145.06447	2.8
145.09009	2.9
145.10127	32.0
148.63702	1.7
149.94040	7.6
149.96011	1.9
155.07053	33.6
155.08409	2.8
156.09273	2.4
158.07327	4.1
158.10913	24.0
167.97174	3.4
173.05847	3.2
173.08203	53.0
173.09677	9.9
173.13268	97.7
174.12700	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1119
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
51.19562	0.8
53.03928	2.4
55.01869	1.2
55.05517	4.4
57.03188	1.4
57.03442	21.7
59.03958	0.8
60.39643	0.8
63.96277	0.8
65.03940	0.8
67.05512	13.7
69.03435	1.9
69.07065	2.1
69.68578	3.3
70.08502	0.9
79.05511	5.7
81.07053	3.9
84.51212	0.8
85.01144	1.0
91.05485	19.4
92.90065	1.7
93.07044	3.4
95.04981	10.9
95.08615	1.8
96.04506	1.0
97.02878	1.0
98.98473	45.1
103.05444	1.7
105.07037	30.3
107.04967	7.5
107.08630	2.1
112.02214	1.6
115.03886	1.0
115.05464	1.7
116.06256	1.5
117.07026	8.2
119.08589	60.9
120.08984	0.9
121.06524	4.1
128.06226	2.8
129.07024	7.1
131.04919	3.7
131.08577	3.9
132.05721	3.4
133.06502	29.0
133.10123	15.2
133.92967	1.2
135.08069	2.2
141.06946	1.3
142.07808	9.1
145.06500	11.1
145.10091	2.5
146.07271	33.2
147.04399	1.6
147.08060	70.0
147.11691	14.9
148.08368	1.5
151.93806	2.0
157.07611	2.5
157.10130	8.8
160.08842	7.3
175.03920	1.0
175.07654	6.9
175.11189	100.0
175.14716	10.5
176.11594	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1327
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03947	0.8
55.05264	0.9
55.05517	14.1
57.02109	0.6
57.07068	1.4
59.04987	2.6
67.05507	4.4
68.44888	0.7
69.03426	1.1
69.07066	1.6
70.82377	0.8
70.82715	1.3
71.04993	0.8
72.93794	4.1
79.05491	2.1
81.07074	3.6
83.04491	0.8
83.04986	15.9
85.04874	0.6
85.06541	1.6
86.77380	0.6
87.04462	1.6
89.02386	1.1
90.90379	1.9
90.94820	3.4
91.05473	8.8
93.07032	1.4
95.08625	0.8
99.04446	1.3
101.06024	11.4
103.03329	1.0
105.07043	10.4
109.10149	2.0
111.04455	16.1
113.06001	2.1
115.05454	2.0
116.06226	2.3
117.06998	5.0
119.07784	1.2
119.08590	15.2
127.07558	1.9
128.06235	0.9
129.05510	4.7
129.07005	8.7
130.07791	2.1
131.08583	66.5
132.95850	1.1
133.10135	2.9
138.13681	0.6
142.07790	0.8
143.08577	22.0
144.09360	7.7
145.06473	1.7
145.10143	28.5
146.10503	0.9
149.94060	1.5
149.96123	1.5
150.96844	1.7
152.88103	0.7
155.05933	0.8
155.07059	9.2
156.09355	1.9
157.10152	0.8
158.07312	1.0
158.10930	32.9
160.55675	0.7
167.97163	1.6
171.11700	2.4
173.05913	2.2
173.08176	15.8
173.09689	2.3
173.13280	100.0
174.13617	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	171.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.4
55.01875	0.5
55.05513	7.5
67.05498	1.6
69.07079	0.8
70.96301	0.9
72.04523	20.8
79.05499	1.5
81.07067	0.6
83.08624	5.1
88.69890	0.5
88.90872	0.5
89.07162	14.8
89.90719	0.6
91.05484	9.3
93.07047	1.2
95.04949	0.4
105.07040	3.6
112.33633	0.4
115.05447	4.1
117.07015	6.3
124.06247	0.6
127.05492	0.5
128.06232	13.6
129.07013	67.8
130.07886	2.9
131.08565	2.3
133.06825	0.5
141.07008	3.2
142.07826	2.7
143.08568	35.6
144.08939	0.7
145.06534	0.6
150.54779	0.4
154.05133	0.4
155.05984	0.6
155.08612	0.5
156.09370	7.2
169.10109	2.0
171.11699	100.0
171.14850	10.9
172.09741	0.5
172.12105	3.1
172.16937	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.117
Annotation	4,6,8-Trimethylazulene
Peak:m/z	Relative Intensity
52.46581	0.5
55.05517	6.8
56.22952	0.4
57.07072	0.5
67.05528	2.0
69.03458	0.7
69.07069	0.7
72.04521	13.7
79.05487	2.0
81.07085	0.6
83.08633	3.8
89.07161	9.9
89.07681	0.8
91.05487	9.6
93.07071	0.9
95.04974	0.4
97.06585	0.5
103.05502	0.6
105.07028	3.8
109.10200	0.4
114.51704	0.4
115.05447	3.4
117.07016	7.0
119.17305	0.5
128.06227	12.7
129.07014	74.5
129.66728	0.4
130.07883	3.0
131.08609	2.2
133.06810	0.8
141.06982	2.2
142.07799	3.3
143.08569	35.0
144.08936	1.0
145.06445	0.7
147.94414	0.5
154.07819	0.5
155.06021	0.9
155.08560	1.0
156.09355	6.1
165.38812	0.4
169.10112	2.2
171.11699	100.0
172.12129	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	169.0498
Annotation	3-HYDROXY-4-METHOXYBENZOIC ACID
Peak:m/z	Relative Intensity
52.43447	0.5
53.03941	0.8
54.78093	0.5
55.01862	2.1
55.05503	2.5
56.96556	1.0
57.03423	1.0
57.07086	0.9
59.52883	0.6
65.03939	2.7
67.01874	4.1
67.05173	0.7
67.05509	10.1
68.99785	3.5
69.03425	2.2
69.07056	1.6
69.22596	6.0
70.90855	0.6
71.05000	3.6
79.05491	3.1
81.03414	4.6
81.07064	9.8
83.04977	3.9
83.08577	0.7
83.81524	0.6
85.02912	1.8
85.06549	1.9
85.94590	1.1
91.05466	1.6
93.03397	0.7
93.05180	0.5
93.05792	1.1
93.07053	3.2
95.01349	0.6
95.04974	12.0
95.08614	5.8
97.02854	0.8
97.06526	2.2
97.75641	0.5
98.21121	2.7
99.04442	2.9
99.08121	0.6
103.95639	0.5
105.07057	3.1
107.08624	3.2
109.02879	11.1
109.06530	6.5
109.10160	6.3
110.06063	0.6
111.00814	3.5
111.04482	3.6
111.08091	6.1
113.06030	1.8
121.10196	0.6
123.04438	37.1
123.08070	7.6
123.11720	3.1
124.07570	1.5
125.06044	1.3
125.09673	0.9
126.03133	7.3
127.03922	9.8
127.07598	0.9
128.95081	1.0
133.02869	3.5
133.06522	0.7
133.10150	1.5
134.06012	1.2
139.03902	1.4
141.05473	16.6
141.06995	2.4
141.09096	0.8
142.08575	1.1
146.96112	1.2
151.03912	50.3
151.07515	2.1
151.08623	0.7
151.10074	0.8
151.11180	4.6
152.04315	1.0
152.07042	2.1
153.01900	0.8
154.02626	1.2
154.07764	1.1
163.97733	1.8
169.04980	100.0
169.08699	2.6
169.10117	1.9
169.12256	2.0
169.91290	0.7
170.05276	1.7
170.08282	0.9
170.09673	1.5
181.98834	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0497
Annotation	3-HYDROXY-4-METHOXYBENZOIC ACID
Peak:m/z	Relative Intensity
53.03957	1.1
55.01863	1.4
55.05497	2.2
57.03439	1.4
57.07076	1.3
65.03923	2.3
67.01868	11.5
67.05509	12.1
68.99799	4.3
69.03411	2.6
69.07074	3.7
71.04996	3.5
71.55606	1.0
72.93774	0.7
79.05490	3.3
81.03422	3.6
81.07053	12.6
83.04966	2.9
83.08617	0.6
85.02908	7.2
85.06532	1.9
85.94603	0.7
91.05476	2.4
93.07050	5.8
95.04972	11.2
95.08604	11.4
97.06541	1.7
98.81963	0.6
99.04462	2.7
105.07034	5.1
106.86452	0.7
107.08589	5.6
109.02884	5.8
109.06532	8.6
109.10159	19.7
109.10918	1.0
111.00797	1.8
111.04448	3.3
111.08083	9.5
113.05984	1.9
113.80016	0.6
113.82870	0.6
115.05493	0.8
121.10159	0.8
123.04435	37.4
123.08077	5.3
123.11719	7.8
124.04868	0.8
125.06003	1.2
125.09607	0.9
126.03159	3.6
127.03928	13.7
127.07594	1.1
127.11201	7.3
133.02803	1.7
133.06548	0.8
133.10126	2.1
137.02275	0.7
141.05470	11.5
141.06955	3.6
141.09132	0.8
142.08675	0.7
146.96127	0.7
151.03911	60.9
151.07564	1.4
151.11171	2.8
152.04263	1.0
152.07053	0.7
152.10683	1.1
153.06995	1.1
154.07788	1.8
163.97691	1.2
169.04976	100.0
169.07516	2.9
169.10114	3.7
169.12267	2.5
169.74371	0.6
170.05302	1.5
170.08218	0.8
170.09657	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03939	4.1
55.01871	3.9
55.05515	88.8
56.05819	1.3
57.03425	3.8
57.07055	3.6
59.05005	9.6
65.03925	2.1
67.05167	1.4
67.05507	17.5
69.03432	21.2
69.07072	10.9
71.04983	2.9
71.13335	1.9
79.05490	17.7
81.03442	1.4
81.07059	18.8
83.04985	100.0
83.08622	35.4
84.05302	1.5
85.02894	1.2
85.06552	7.7
91.05472	8.0
93.07052	21.3
94.06625	1.3
95.04964	3.8
95.08619	9.2
97.06538	6.0
97.10176	10.7
99.08111	1.8
103.00648	2.1
105.07031	7.5
106.04156	0.9
107.04947	2.1
107.08599	44.1
108.04435	0.9
108.08942	1.2
109.06542	5.4
109.10162	20.6
111.04443	3.0
111.08084	27.2
112.08876	6.2
113.09648	3.2
117.92196	1.0
121.01694	6.7
121.05743	1.0
121.06506	6.4
121.07358	1.3
121.10148	20.2
123.04451	1.5
123.08086	2.4
123.11710	9.5
125.05997	2.6
125.09631	15.2
131.08565	3.1
139.02692	2.6
139.07516	1.8
139.11266	1.1
140.06975	1.1
144.03241	4.3
149.02332	3.0
149.04976	1.4
149.06085	1.5
149.09613	9.7
149.13295	5.7
151.47127	1.2
152.96175	0.9
162.04294	1.2
163.64865	0.9
167.03395	2.6
167.07043	7.3
167.08321	1.4
167.10742	4.6
167.14326	37.8
176.06790	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0497
Annotation	2,6-Dimethoxybenzoquinone
Peak:m/z	Relative Intensity
53.03969	0.4
55.01873	0.9
55.05506	0.5
56.36333	0.3
59.30446	0.3
60.63232	0.3
65.03942	0.4
67.05500	0.9
68.99792	3.1
69.03461	0.5
69.07064	0.7
69.81834	1.3
73.06509	0.3
79.05474	0.5
79.15253	0.3
81.03431	1.2
81.07069	1.7
83.04984	0.5
84.87564	0.3
85.02909	0.9
85.06534	0.5
91.05492	0.5
93.07086	0.4
95.04973	1.2
95.08611	1.1
97.02904	1.2
98.03691	2.8
98.20596	0.4
98.21220	1.0
99.04489	0.5
105.07050	0.5
107.08630	0.4
108.21887	0.3
109.02892	2.6
109.06523	1.4
110.48878	0.3
111.00817	25.0
111.04463	1.0
111.08096	0.7
113.06000	0.3
115.05486	0.5
117.81264	0.3
123.04450	1.1
123.08073	1.3
123.11723	0.8
125.02354	0.3
126.03148	31.6
133.02885	0.5
135.38824	0.3
141.05479	100.0
142.05782	1.5
151.03914	0.4
151.08640	0.6
151.29121	0.3
152.07027	0.4
169.04988	41.0
170.05327	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0857
Annotation	Phenalene
Peak:m/z	Relative Intensity
53.03940	0.9
55.01871	1.0
55.05517	2.6
57.03428	0.7
65.03948	0.6
67.01868	3.5
67.05518	2.1
69.03423	1.1
69.07069	3.3
69.48810	3.3
78.04732	0.8
79.05497	3.7
81.03452	0.5
81.07049	2.1
83.04984	1.7
83.08618	1.2
85.02924	1.0
85.06543	0.5
91.05486	3.4
93.07053	13.8
95.04973	1.7
95.08588	1.7
97.02892	0.9
97.06525	2.2
98.21484	0.6
102.94844	0.9
103.05482	0.5
105.07041	1.3
106.54445	0.4
107.04929	0.8
107.08598	7.2
109.06529	1.6
109.10155	0.7
111.04440	1.2
111.08090	1.5
119.95105	0.5
121.01691	1.8
121.02871	1.3
121.06508	4.1
121.07317	0.5
121.07605	0.4
121.08437	0.6
121.10149	6.2
123.04435	0.6
123.08069	0.9
123.11727	0.5
124.05186	0.6
125.05997	0.9
125.09633	1.7
128.06248	0.6
131.08522	0.7
133.17784	0.4
139.02748	0.8
139.03891	0.8
139.07532	3.8
141.06966	1.1
143.96646	1.1
144.03261	1.5
149.02344	4.0
149.04932	0.6
149.06004	6.4
149.09593	2.5
149.13258	1.0
150.05551	0.5
152.06221	38.0
153.06621	1.0
162.96997	0.6
165.07011	35.8
166.07800	12.8
167.03403	1.8
167.07072	24.6
167.08577	100.0
167.10558	3.1
167.14330	1.2
168.08919	2.4
169.06497	1.4
184.02368	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0703
Annotation	2,4-Dihydroxy-3,6-dimethylbenzaldehyde
Peak:m/z	Relative Intensity
53.03938	2.9
55.05502	1.5
55.46413	0.7
60.60465	0.8
67.01871	15.0
67.05502	1.1
70.17015	1.5
70.17397	2.2
77.95628	0.7
79.05467	1.3
83.01330	1.0
83.04977	1.4
84.05626	2.6
85.02905	3.6
91.05485	7.8
93.07050	38.4
95.01335	1.1
95.04975	3.8
97.06559	0.8
97.54841	0.6
98.07221	0.7
98.98486	1.0
103.00618	0.7
105.04519	1.2
107.08627	0.9
109.07600	0.7
111.08081	2.8
113.82829	0.8
121.01686	3.7
121.06518	12.3
124.05193	0.8
125.08252	57.4
126.06625	0.9
139.02730	1.2
139.07564	14.6
144.03186	1.4
145.01010	0.8
149.04776	1.0
149.05992	20.4
161.24808	0.7
162.04236	1.0
167.07057	100.0
167.15520	1.1
168.07443	0.9
181.59457	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0702
Annotation	2,4-Dihydroxy-3,6-dimethylbenzaldehyde
Peak:m/z	Relative Intensity
53.00315	0.7
53.03938	2.6
55.05496	1.6
65.03934	0.9
67.01526	1.4
67.01864	17.5
67.02971	0.6
67.05488	1.3
71.57504	0.7
76.25748	0.6
79.05479	2.0
81.03419	1.1
81.07047	0.6
82.88795	0.7
83.04990	1.0
84.05608	1.2
85.02911	3.0
87.83741	0.6
91.05478	10.1
93.07044	40.2
95.01328	1.0
95.04979	4.5
96.59067	0.7
97.88960	0.7
105.04537	1.4
105.07026	0.9
107.04946	1.4
107.08585	0.6
109.06507	0.7
111.04429	0.7
111.08072	2.4
121.01653	1.6
121.06517	11.9
121.10150	1.5
122.07118	0.8
124.05187	1.5
125.08237	20.8
125.08982	0.9
139.07553	15.8
143.96767	0.7
144.03207	0.8
149.04778	0.9
149.05984	22.7
167.07042	100.0
167.12823	1.3
168.07373	1.5
187.73891	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0865
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
56.96569	0.2
70.10445	0.7
77.03914	0.2
78.29141	0.1
79.05495	1.4
80.94930	0.1
88.36694	0.1
91.05513	0.8
93.07056	2.4
95.04951	0.2
98.97652	0.1
103.05478	11.3
104.05812	0.2
107.04962	2.1
118.06532	0.2
119.01941	0.3
120.02062	0.7
120.08115	100.0
121.08459	1.6
131.04944	2.2
143.03635	0.5
148.04813	0.4
149.05998	0.6
161.04742	0.2
166.08655	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94084	2.3
53.03950	3.0
53.40277	0.7
55.40603	0.8
55.93525	2.5
56.94313	2.4
56.96556	1.6
57.03445	5.7
57.60638	0.9
57.93565	5.4
59.05003	1.2
67.93567	3.2
68.02649	2.7
68.94289	0.8
69.03430	2.3
70.70054	1.0
70.70407	1.8
70.95879	1.6
71.01357	1.5
71.05000	9.2
71.93019	1.0
72.93798	21.0
73.93833	1.2
74.93821	3.3
81.03425	23.2
83.93050	31.9
84.01226	0.9
84.93827	3.0
84.94642	2.5
85.02905	3.2
85.94602	4.3
86.03701	1.8
87.04494	0.9
88.90100	0.7
89.06055	1.7
90.94833	5.7
92.94799	1.0
95.05007	1.0
95.48660	1.3
98.96185	1.4
99.04461	4.1
100.05244	2.9
101.00903	3.4
101.02463	0.9
101.94097	9.2
102.00954	7.4
102.02238	5.1
102.94975	3.8
102.95671	3.5
103.00639	1.3
103.95664	1.6
104.49149	1.4
106.99454	2.6
108.95843	1.0
109.02883	10.2
113.05985	1.6
113.96409	32.4
114.50208	0.9
114.96574	0.7
115.96445	36.6
115.99979	1.8
116.96400	2.0
116.97230	31.4
117.93609	2.0
118.94347	3.1
118.96590	0.8
119.01947	11.0
119.95143	8.3
119.97311	1.3
120.02010	33.8
120.03308	2.2
120.08127	1.7
121.01682	7.0
122.96900	1.5
124.95679	1.9
125.02578	1.7
125.96312	0.8
127.97972	4.0
128.97878	2.3
129.98019	1.3
131.95157	1.4
131.96431	1.0
131.97440	17.1
132.95842	6.9
132.97432	0.9
133.97473	12.9
136.51479	1.9
137.02968	3.1
137.98425	1.8
138.03082	9.7
139.02699	2.3
139.98833	1.0
140.97495	0.9
142.03539	3.6
142.96709	100.0
143.03633	26.6
143.96751	2.9
144.03232	4.5
144.95871	2.3
145.51926	1.0
145.98979	4.4
146.97401	1.4
149.96100	1.2
150.96927	1.9
154.96687	6.0
154.99060	2.4
155.97432	5.1
156.99115	2.1
160.04594	1.1
160.98856	1.0
161.04706	6.7
162.96919	2.2
163.03935	2.4
165.98323	8.6
166.05182	2.7
166.08667	1.5
167.97476	1.9
172.97775	2.1
173.98511	1.3
188.98518	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.164
Annotation	1-Ethenyl-1-methyl-4-(1-methylethylidene)-cyclohexane
Peak:m/z	Relative Intensity
53.03940	2.5
55.01865	1.3
55.05513	9.2
57.03428	1.3
57.07080	10.7
65.03927	2.5
67.05509	41.1
69.03448	1.6
69.07075	7.6
70.73944	2.2
71.08620	4.0
79.05498	9.1
81.03423	1.5
81.07063	41.6
83.04999	1.8
83.08596	4.0
83.93069	0.8
85.10171	1.5
91.05486	31.3
92.05806	1.2
93.07064	8.1
95.01319	0.9
95.04982	12.1
95.08615	64.0
101.00889	11.0
103.05454	3.6
105.07042	13.8
107.04951	1.2
107.08601	12.3
109.06514	6.0
109.10163	100.0
110.10487	1.2
110.34976	0.8
119.01931	47.5
119.04952	39.0
119.07791	1.2
119.08588	14.2
120.02063	1.8
120.08108	1.4
121.06495	2.0
121.10146	6.5
123.04464	7.3
123.08089	6.6
123.11713	37.4
124.02457	2.2
133.06535	1.6
137.02995	13.6
137.06018	7.0
137.07991	1.1
137.09613	11.8
137.13214	2.8
142.03506	28.6
142.96701	2.8
147.04424	67.4
147.08038	2.7
147.11737	6.0
160.04590	6.9
165.01840	1.9
165.05463	5.2
165.06927	1.5
165.07640	1.1
165.09088	9.1
165.12740	15.9
165.16417	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	165.164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
55.01858	1.5
55.05519	8.2
57.03430	2.0
57.07082	8.8
58.06340	1.0
58.06628	1.2
64.76421	1.0
65.03937	2.9
67.05509	43.0
69.03422	2.4
69.07064	9.1
70.87616	3.0
71.04985	1.3
71.08646	5.9
79.05494	16.2
79.56890	1.1
79.88193	1.2
81.02950	1.1
81.03400	2.3
81.07065	48.6
83.04952	1.4
83.08617	4.4
85.10172	3.5
91.05487	30.5
93.07054	11.4
94.04211	1.3
95.04980	10.9
95.08614	69.6
95.97916	1.1
97.06556	1.4
97.90682	1.0
98.58456	1.5
101.00880	6.6
103.05473	1.6
104.22601	1.1
105.03387	4.5
105.07031	15.0
107.04972	1.4
107.08595	13.0
109.02907	1.3
109.06525	7.8
109.10162	100.0
110.10466	1.4
117.07003	2.7
119.01933	35.2
119.04953	38.0
119.08572	18.0
120.08113	1.2
121.06480	2.4
121.09466	0.9
121.10161	8.1
122.03667	1.5
123.04458	6.1
123.08085	12.4
123.11716	42.5
133.02821	2.9
137.03036	10.3
137.05984	7.4
137.09625	8.5
137.13261	3.1
137.93083	1.2
142.03508	21.3
142.96721	2.0
147.04422	81.0
147.08034	7.4
147.11696	10.9
160.04555	5.0
165.01863	3.0
165.05524	19.0
165.09140	8.0
165.12772	28.2
165.16420	16.2
172.77342	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
50.85484	0.3
53.03947	1.9
53.82132	0.4
55.01877	1.2
55.05511	4.7
56.14682	0.4
56.96552	0.7
57.03433	2.4
57.07081	2.5
65.03954	1.1
65.70644	0.4
67.05165	0.8
67.05510	11.6
69.03426	2.7
69.07066	4.5
70.44968	0.6
70.45316	1.0
71.04993	1.2
71.08636	1.5
73.55497	0.3
77.03944	0.4
79.05497	9.3
81.03425	1.2
81.07063	19.9
83.04997	2.3
83.08613	2.8
91.00980	0.4
91.05488	13.3
93.07053	13.7
93.36333	0.4
94.04190	1.1
94.07858	0.6
95.04973	7.0
95.08612	17.3
97.06530	1.2
99.36582	0.4
100.30249	0.4
101.00870	1.9
103.05498	0.8
104.06219	0.5
105.03416	0.4
105.07039	14.3
107.04973	1.3
107.08602	12.9
107.09233	0.4
109.06528	20.8
109.10165	17.5
109.10922	0.9
110.07368	0.5
117.07038	1.2
119.01936	7.4
119.04945	8.5
119.08590	21.1
121.06551	2.0
121.10152	29.5
122.07297	7.7
123.04463	2.0
123.08080	10.1
123.11713	7.6
133.02835	0.8
133.07610	0.5
135.08064	2.0
137.03009	1.0
137.05995	1.3
137.09624	100.0
137.13170	2.4
138.09970	1.4
142.03499	3.8
147.04424	17.5
147.08078	1.4
147.10515	0.6
147.11691	10.1
150.10423	4.9
160.04556	1.1
165.01877	1.0
165.05479	4.7
165.06979	1.3
165.09113	5.6
165.12767	41.2
165.16441	1.0
166.13130	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0909
Annotation	gamma-Thujaplicin
Peak:m/z	Relative Intensity
53.03954	0.6
54.54767	0.5
55.05503	2.7
64.05246	0.4
64.12580	0.4
65.03938	2.4
67.05507	18.0
69.03433	0.6
69.07077	1.3
69.38869	1.7
69.39293	1.7
73.80972	0.4
79.05497	2.8
81.03448	0.5
81.07062	8.3
83.04986	3.7
91.05482	32.2
92.68542	0.5
93.07053	2.2
95.04962	4.7
95.08608	3.5
98.21619	0.4
101.00893	1.3
103.05484	1.0
104.06264	0.5
105.07050	1.9
107.04973	2.8
107.08581	2.2
109.06532	2.1
109.10159	17.7
117.07015	1.1
119.01942	8.9
119.04945	53.4
119.08575	15.2
119.09437	0.4
120.05298	1.0
120.08125	0.6
121.06517	0.9
121.10177	1.4
122.07290	12.1
123.04457	2.4
123.08089	1.6
123.11743	0.8
124.02444	0.6
137.03023	2.1
137.05989	1.4
137.09618	42.6
138.09969	1.0
142.03506	5.6
142.96754	0.5
147.04411	100.0
147.11703	1.5
148.04759	2.1
160.04576	1.8
165.01859	1.0
165.05392	2.0
165.09114	88.9
165.12778	2.8
166.09470	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0912
Annotation	gamma-Thujaplicin
Peak:m/z	Relative Intensity
50.93230	0.5
55.01857	0.5
55.05509	3.1
65.03931	1.3
66.77102	0.6
67.05511	19.5
69.03425	1.5
69.07059	1.3
79.05499	3.3
81.03433	1.0
81.07067	9.8
83.04992	4.6
91.05492	9.4
93.07050	3.4
95.04993	4.3
95.08609	4.2
101.00881	1.5
103.05455	0.7
105.07034	2.1
107.04960	3.5
107.08592	2.4
109.02839	0.6
109.06544	2.6
109.10170	19.8
117.07020	1.2
119.01941	5.8
119.04954	7.6
119.08591	16.4
120.08932	0.6
121.06486	1.2
121.10159	1.3
122.07302	12.6
123.04414	1.5
123.08094	1.0
135.08066	0.7
135.14932	0.6
137.09625	45.6
138.09953	0.6
142.03531	3.5
147.04427	16.2
147.08040	1.1
147.11693	2.3
148.04771	0.6
156.26187	0.6
160.04521	0.9
165.01828	1.4
165.09126	100.0
165.12767	4.3
166.09470	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0911
Annotation	beta-Thujaplicin
Peak:m/z	Relative Intensity
53.03949	0.9
53.48027	0.5
55.05519	2.8
57.03435	0.6
64.53938	0.4
65.03959	2.2
67.05508	20.5
69.03461	0.7
69.07080	1.5
69.22633	5.2
70.17186	0.5
74.47038	0.4
79.05492	3.4
81.03471	0.7
81.07063	8.5
83.04995	3.9
83.93074	0.6
91.05487	26.8
91.42577	0.6
92.05824	0.7
93.07049	2.6
95.04986	4.9
95.08613	4.3
101.00869	2.4
101.98510	0.5
103.05476	1.1
104.06275	0.5
105.07043	2.2
107.04977	3.1
107.08600	2.7
109.06531	2.9
109.10161	21.9
117.07056	1.2
119.01936	10.9
119.04951	41.5
119.08587	17.3
120.05304	1.1
120.08134	0.8
121.06487	1.2
121.10159	0.8
122.07287	12.4
123.04447	1.9
123.08092	1.5
123.11732	0.8
130.01291	0.5
135.08098	1.1
137.03014	2.4
137.05997	1.4
137.09627	44.8
138.09955	0.5
142.03520	6.8
142.96712	1.6
145.10194	0.5
147.04419	81.6
147.11697	1.3
148.04784	2.3
148.80617	0.4
153.80356	0.5
158.02052	0.5
160.04558	2.2
165.05414	1.5
165.09123	100.0
165.12753	3.8
166.09454	2.4
181.21106	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0912
Annotation	gamma-Thujaplicin
Peak:m/z	Relative Intensity
53.03952	1.0
54.68441	0.5
55.01867	0.9
55.05513	5.2
57.03440	0.6
57.07060	0.5
65.03951	1.4
67.05510	25.3
69.03419	1.1
69.07062	2.0
71.56683	0.8
79.05494	4.3
81.03410	1.1
81.07063	13.7
83.04987	6.3
83.08612	0.7
91.05486	17.7
93.07051	5.1
94.07846	0.5
95.04995	5.6
95.08612	7.7
101.00884	4.3
103.05449	1.2
105.07034	5.9
107.04970	3.3
107.08592	4.5
109.06538	3.8
109.10165	22.2
117.07018	1.4
118.39199	0.5
119.01933	17.7
119.04102	1.0
119.04951	15.9
119.08587	21.0
120.08059	0.5
121.06529	1.2
121.10147	3.2
122.07301	13.8
123.04428	2.9
123.08121	3.5
123.11696	2.5
123.61461	0.5
124.02505	0.8
137.03020	5.3
137.06001	1.5
137.09627	50.9
138.09903	0.7
142.03516	11.3
142.96718	0.5
147.04424	33.0
147.08052	2.1
147.11731	4.7
160.04587	2.9
165.01881	1.8
165.05371	1.7
165.09128	100.0
165.12791	8.3
166.09480	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	165.0912
Annotation	gamma-Thujaplicin
Peak:m/z	Relative Intensity
53.03948	0.4
55.05516	2.4
65.03956	0.9
65.26070	0.3
67.05507	19.7
71.08355	0.7
79.05502	1.8
81.07062	6.9
83.04982	4.1
91.05488	8.0
93.07045	2.1
95.04959	2.1
95.08615	3.2
101.00910	0.8
103.05473	0.6
104.06290	0.3
105.07049	1.3
107.04958	2.6
107.08610	1.9
109.02891	0.4
109.06551	1.6
109.10164	20.1
110.10475	0.5
117.07015	1.1
119.01936	3.2
119.04948	6.1
119.08582	15.9
121.06504	1.1
121.10169	0.7
121.86059	0.3
122.07291	12.9
123.04482	0.7
123.08062	1.2
123.11741	0.5
135.08041	0.7
137.03023	0.6
137.09624	47.7
138.09918	0.8
142.03508	2.9
147.04422	8.9
147.05513	0.6
147.08058	0.5
147.11707	0.6
153.36638	0.4
160.04466	0.3
165.01865	0.9
165.09119	100.0
165.12769	2.0
166.09506	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	165.0912
Annotation	gamma-Thujaplicin
Peak:m/z	Relative Intensity
53.03934	1.9
55.01855	1.2
55.05268	0.8
55.05516	10.9
57.03426	0.7
60.44500	0.5
65.03935	1.6
66.41290	0.6
67.05510	23.5
68.35214	0.5
69.03432	1.7
69.07050	1.6
69.68472	2.9
70.04153	0.5
71.04990	0.9
71.97572	0.5
79.05497	6.1
81.03410	1.2
81.07063	14.9
83.04982	5.0
83.08607	2.2
91.05489	23.0
93.07043	5.7
95.04974	14.1
95.08613	9.7
97.06543	0.6
100.02483	0.6
101.00888	4.9
103.05457	1.3
104.06283	0.6
105.07044	10.0
107.04956	3.4
107.08604	7.8
109.02896	1.0
109.06528	7.0
109.10163	20.0
117.07028	1.5
119.01936	30.2
119.04954	25.3
119.08589	24.4
119.09463	1.1
120.01998	0.6
120.08104	1.6
121.06499	1.9
121.10162	5.9
122.07291	11.1
123.04440	10.2
123.08090	8.9
123.11717	2.4
124.02455	0.9
137.03030	8.1
137.06032	3.0
137.09627	44.6
137.13239	0.9
138.09991	0.9
142.03508	18.3
142.96692	1.9
143.03679	0.7
147.04422	45.8
147.08057	3.7
147.11696	7.3
148.04849	0.6
148.06213	0.5
160.04556	4.3
161.04742	0.6
165.01892	2.7
165.05597	4.0
165.09126	100.0
165.12773	10.6
166.09558	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0911
Annotation	beta-Thujaplicin
Peak:m/z	Relative Intensity
51.95630	0.5
53.03942	0.9
55.05510	2.5
65.03925	0.7
67.05508	19.2
69.03431	0.7
69.07063	1.2
69.51102	2.9
79.05496	3.3
81.03389	0.4
81.07062	8.4
83.04988	4.6
91.05485	8.5
93.07059	2.2
95.04983	3.4
95.08611	3.8
101.00876	1.0
103.05453	0.6
104.06320	0.5
105.07025	2.1
107.04954	3.0
107.08620	2.1
109.06500	2.3
109.10163	20.4
117.07008	1.0
119.01924	3.6
119.04953	4.9
119.08591	15.8
121.06508	1.8
121.10096	0.6
121.44152	0.5
122.07301	13.3
123.04470	0.6
123.08099	0.5
137.02975	0.9
137.06007	1.0
137.09624	49.7
138.09988	0.5
142.03485	2.4
142.96584	0.4
147.04420	9.7
147.08034	0.9
147.11720	1.0
160.04591	0.7
165.07101	10.9
165.09123	100.0
165.12769	3.2
166.09486	2.0
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	Unknow
Peak:m/z	Relative Intensity
51.02389	0.3
53.03939	0.3
54.64351	0.2
54.78187	0.3
62.85899	0.2
65.03945	1.3
66.39565	0.2
69.80524	1.2
70.98338	0.2
89.66235	0.3
91.05485	25.4
92.05822	0.4
95.04976	1.6
98.21426	0.3
101.00893	0.4
119.02026	1.2
119.04951	53.1
120.05296	0.7
123.04451	2.0
134.51399	0.3
142.03510	1.1
147.04419	100.0
148.04820	1.4
165.05496	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03948	0.5
55.01865	0.3
55.05507	1.3
63.27036	0.3
64.33003	0.3
65.03942	1.1
65.82538	0.2
67.05505	4.9
69.03410	0.3
69.07059	0.6
70.52272	0.9
70.88572	0.3
79.05489	1.2
81.03406	0.5
81.07060	4.1
83.04971	1.6
83.93053	0.3
91.05477	25.9
92.05819	0.3
93.06537	0.3
93.07042	1.5
95.04961	3.2
95.08616	2.3
95.96558	0.2
101.00880	1.2
101.02554	0.3
105.07013	1.2
105.18533	0.3
105.19254	0.4
107.04949	0.7
107.08595	1.6
109.06531	1.8
109.10161	5.5
117.07012	0.4
119.01923	5.2
119.04939	48.8
119.08569	5.5
119.09346	0.5
120.01949	0.3
120.05223	0.7
121.10155	1.3
122.07289	2.6
123.04436	1.7
123.08060	1.0
123.11693	0.8
137.03030	1.5
137.05937	0.6
137.09610	12.5
142.03510	4.0
142.96710	0.5
147.04405	100.0
147.11653	1.0
148.04724	1.9
160.04515	1.2
165.01779	0.8
165.05518	1.3
165.09109	21.8
165.12756	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	165.0547
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.30383	0.2
57.27370	0.3
59.16940	0.3
65.03936	1.6
71.00785	0.4
71.01107	0.3
74.18399	0.3
91.05488	26.9
92.00108	0.2
95.04984	1.3
95.05514	0.3
95.14018	0.3
101.00918	0.4
110.97116	0.3
119.04953	52.7
120.05293	0.8
123.04439	1.7
142.03532	0.5
147.04419	100.0
148.04745	1.7
165.05487	1.0
172.22200	0.2
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	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
65.03943	1.9
67.05515	0.4
70.62141	0.5
70.62457	0.4
77.27420	0.3
89.38428	0.3
89.99440	0.3
91.05486	28.3
92.05854	0.4
93.07067	0.8
95.04980	4.8
98.21005	0.4
101.00868	1.5
103.05466	1.3
109.10177	0.6
111.30128	0.3
113.39928	0.3
119.01945	4.4
119.04951	54.7
120.05260	0.7
121.06490	0.4
123.04438	9.8
123.08089	0.6
124.02483	0.5
135.91862	0.3
137.02962	1.2
137.05913	0.7
137.09592	0.5
142.03494	3.3
147.04417	100.0
148.04750	1.4
150.66544	0.3
159.54872	0.3
160.04568	0.6
165.01823	0.4
165.05487	11.0
165.06897	0.6
165.09132	1.0
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	Unknow
Peak:m/z	Relative Intensity
65.03936	1.6
71.08324	0.3
71.08669	0.4
91.05489	23.3
92.05853	0.3
95.04988	1.6
101.00851	0.5
103.05450	0.3
119.01939	0.9
119.04955	50.7
120.05287	0.5
123.04455	2.2
142.03494	0.6
147.04424	100.0
148.04755	2.0
151.73709	0.2
165.05542	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04473	0.5
56.64770	0.3
60.45882	0.3
63.70841	0.4
68.78313	0.4
70.10048	1.4
80.93616	0.4
82.01465	0.5
82.99842	3.5
91.79367	0.4
96.98545	0.4
98.20869	0.5
98.21452	0.8
100.02531	0.7
101.00890	38.1
102.00997	1.1
119.01931	100.0
120.02005	2.4
121.02366	0.7
124.02457	6.4
130.14717	0.4
133.03487	0.8
137.02966	18.9
142.03514	65.0
143.03601	1.3
160.04573	14.7
165.05151	0.6
174.06012	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03949	0.3
65.03945	1.5
67.05516	0.3
71.05394	0.6
74.52396	0.3
81.07068	0.3
91.05486	25.4
93.07054	0.3
95.04974	2.4
101.00893	0.6
103.05471	0.4
109.06532	0.3
110.40044	0.2
119.01967	2.8
119.04948	49.8
120.05274	0.8
120.23960	0.2
123.04441	4.3
132.28918	0.2
137.02948	0.9
142.03502	1.8
147.04414	100.0
148.04739	1.7
165.05544	2.1
165.09109	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.55687	0.4
69.37837	2.8
69.38259	0.8
82.01461	0.6
82.99842	3.4
85.54221	0.4
100.02488	1.1
101.00896	38.7
102.00999	1.2
119.01936	100.0
120.02050	1.8
124.02460	6.6
133.03479	1.0
137.02158	0.4
137.02975	21.8
142.03520	65.6
143.03680	0.9
156.05074	0.6
160.04579	14.3
165.05138	1.5
169.44463	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
70.41096	2.6
82.01474	0.7
82.99848	3.2
98.20820	1.0
100.02499	0.7
101.00887	39.0
119.01929	100.0
120.02033	2.1
124.02472	5.6
126.65387	0.6
133.03493	1.1
137.02962	19.2
142.03511	64.7
143.03726	1.2
156.05031	0.7
160.04570	15.0
165.05093	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96316	0.3
67.97477	0.3
71.42216	0.6
72.52749	0.4
72.97502	0.4
77.99173	0.3
81.94616	0.3
82.01450	0.5
82.99827	2.5
89.00906	0.4
89.03974	0.4
98.20779	0.4
99.22807	0.3
100.02484	1.3
101.00887	33.2
101.02592	0.8
102.00970	1.1
115.02473	0.4
118.03459	0.5
119.01928	100.0
120.01994	3.3
124.02448	6.2
133.03506	1.2
137.02965	18.9
138.03145	0.8
142.03506	63.9
143.03593	2.5
144.04041	0.4
156.05038	0.8
160.04567	15.0
161.04626	0.5
165.05133	1.6
182.02011	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1483
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02381	1.0
53.03951	9.6
53.39516	0.5
54.81850	0.5
55.01859	0.8
55.05511	5.4
57.07065	1.3
65.03931	0.6
67.05176	0.6
67.05510	11.9
69.07074	6.3
70.50900	2.0
71.48448	0.5
77.03932	2.3
77.32304	0.6
79.05499	35.5
81.03416	1.9
81.07062	21.4
83.08644	2.9
89.03918	1.0
91.05483	7.8
91.31468	0.5
92.02623	3.5
93.07049	33.2
95.04975	15.8
95.08611	18.8
97.10175	1.1
105.03405	5.4
105.04527	4.4
105.07021	2.2
107.04974	1.8
107.08601	30.1
109.06506	0.9
109.10162	2.0
115.05518	0.7
117.07036	2.8
119.05017	0.6
119.05967	0.6
119.08615	2.7
120.02107	1.2
121.06522	0.8
121.10151	43.4
122.10479	1.2
130.81963	0.5
133.02866	28.2
134.03204	0.7
135.04427	30.5
135.08093	0.7
135.11707	3.9
145.06511	1.6
145.10139	1.5
163.03915	100.0
163.11186	6.2
163.14830	30.6
164.04257	2.5
164.15222	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03948	6.8
55.01871	2.9
55.05511	7.2
56.08109	0.6
56.84801	0.5
57.03421	1.5
57.07073	2.5
59.00481	0.6
62.14540	0.6
63.02344	0.7
65.03952	1.2
67.05511	4.7
69.03429	4.4
69.07069	22.9
70.68625	1.4
77.03947	1.6
78.56966	0.6
79.05496	28.9
81.03407	1.3
81.07055	13.6
83.04993	1.4
83.08614	6.4
85.02904	2.5
89.03920	15.8
91.05476	19.5
92.02634	2.5
93.07048	38.6
95.04970	14.9
95.08615	14.0
100.02497	1.4
100.63089	0.6
103.05468	14.0
105.03423	4.0
105.04504	3.8
105.07042	19.7
106.06523	0.6
107.04961	10.2
107.08596	100.0
107.42594	0.6
108.08881	1.6
109.06527	2.7
109.10139	0.9
113.60146	0.7
115.05460	2.5
117.03385	11.0
117.05771	0.9
117.07026	9.5
119.04945	1.1
119.06084	1.4
119.08598	13.2
120.02165	0.8
120.09300	0.7
121.06509	7.4
121.10147	66.7
122.10478	1.3
123.08048	1.6
130.06537	2.4
130.07787	4.2
131.04936	15.3
132.08107	2.9
133.02863	16.7
133.03806	1.3
133.06516	0.7
133.07564	0.8
133.10083	1.3
135.04424	39.0
135.08075	6.0
135.11696	31.3
136.04758	1.3
136.07579	2.0
136.12001	0.6
142.77327	0.6
143.08537	1.0
145.02882	9.4
145.06470	4.6
145.10135	12.7
147.08035	0.8
148.08888	1.2
161.90814	0.7
163.03911	78.4
163.07556	14.9
163.11188	35.6
163.12332	2.3
163.14825	32.3
163.16255	0.7
164.04265	2.8
164.05649	0.6
164.07068	1.2
164.11497	0.7
164.15215	0.7
172.54836	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.0
53.03951	9.6
53.39516	0.5
54.81850	0.5
55.01859	0.8
55.05511	5.4
57.07065	1.3
65.03931	0.6
67.05176	0.6
67.05510	11.9
69.07074	6.3
70.50900	2.0
71.48448	0.5
77.03932	2.3
77.32304	0.6
79.05499	35.5
81.03416	1.9
81.07062	21.4
83.08644	2.9
89.03918	1.0
91.05483	7.8
91.31468	0.5
92.02623	3.5
93.07049	33.2
95.04975	15.8
95.08611	18.8
97.10175	1.1
105.03405	5.4
105.04527	4.4
105.07021	2.2
107.04974	1.8
107.08601	30.1
109.06506	0.9
109.10162	2.0
115.05518	0.7
117.07036	2.8
119.05017	0.6
119.05967	0.6
119.08615	2.7
120.02107	1.2
121.06522	0.8
121.10151	43.4
122.10479	1.2
130.81963	0.5
133.02866	28.2
134.03204	0.7
135.04427	30.5
135.08093	0.7
135.11707	3.9
145.06511	1.6
145.10139	1.5
163.03915	100.0
163.11186	6.2
163.14830	30.6
164.04257	2.5
164.15222	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02378	1.6
53.03951	8.7
55.01865	0.8
55.05517	6.1
57.07063	1.1
61.02916	2.8
61.29296	0.6
65.03925	1.1
67.05169	1.2
67.05506	17.7
67.67587	0.6
69.03429	2.1
69.07069	8.8
70.95699	1.3
73.02899	1.5
77.03928	2.6
79.05497	40.8
80.05828	1.3
81.03418	1.0
81.07061	28.6
83.04990	0.8
83.08620	4.4
85.02905	2.2
89.03912	4.2
91.03928	1.0
91.05482	10.2
92.02622	4.1
93.07050	40.3
95.04976	15.6
95.08611	28.9
97.10162	1.3
98.06142	0.6
105.03402	5.1
105.04531	3.4
105.07046	3.9
107.04950	4.0
107.08602	37.9
108.08918	1.1
109.06561	1.2
109.10166	2.1
117.03368	4.3
117.05721	0.6
117.07018	2.2
119.04964	1.0
119.08602	3.1
121.06500	2.4
121.10152	46.1
122.10455	0.9
130.06503	1.2
130.07779	0.9
132.08102	1.5
133.02861	25.6
134.03204	0.7
135.04422	34.2
135.08066	2.2
135.11694	6.5
145.02873	2.6
145.06508	0.7
145.10135	4.3
163.03914	100.0
163.07561	1.9
163.11183	12.0
163.12399	1.1
163.14836	35.2
164.04271	2.8
164.15149	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1483
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02394	0.8
53.03952	11.8
55.01864	1.2
55.05514	5.1
57.07073	1.7
58.90005	0.5
59.42426	0.6
61.02939	4.0
62.89398	0.6
65.03949	1.2
67.05512	13.2
69.03442	0.9
69.07081	5.5
69.10588	0.6
70.88239	1.5
73.02924	1.2
77.03933	2.5
79.05501	34.2
81.03428	1.2
81.07066	22.1
83.08624	3.5
85.02904	2.4
89.03928	2.6
91.03939	0.9
91.05489	9.0
92.02643	4.0
93.07054	31.6
95.04980	15.5
95.08614	19.1
96.79632	0.8
97.02903	1.1
100.02463	1.0
103.05471	0.8
105.03413	5.3
105.04522	4.3
105.07023	3.5
106.06518	0.9
107.04959	3.9
107.08604	27.6
109.06524	1.1
109.10149	2.2
110.10641	0.7
115.33822	0.7
117.03400	1.1
117.07038	2.0
118.06574	0.7
119.08593	2.1
120.02102	0.6
120.35059	0.5
121.06532	1.6
121.10152	35.8
126.64727	0.5
130.06520	2.4
131.04893	0.7
132.08093	2.7
133.02867	26.4
134.03186	0.7
135.04430	29.7
135.07959	1.1
135.11678	4.2
138.03073	1.1
145.02882	2.4
145.06454	0.9
145.10121	2.7
163.03920	100.0
163.07568	2.0
163.11198	9.4
163.12399	1.3
163.14841	23.6
164.04280	2.4
164.07104	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
50.01626	0.5
51.02380	0.7
53.03951	10.3
55.01869	1.5
55.05510	4.4
56.29664	0.7
61.02934	1.0
65.03935	0.7
67.05173	0.9
67.05505	12.0
69.07083	6.1
69.80526	3.1
77.03916	1.5
79.05499	34.1
80.05830	1.1
81.03403	1.7
81.07065	19.6
83.08620	3.4
83.87727	0.7
89.03922	3.7
91.05493	7.5
92.02627	3.3
93.07047	32.2
95.04974	13.6
95.08612	17.6
95.09234	0.7
95.86578	0.6
98.20835	1.2
103.05478	0.9
105.03423	5.4
105.04530	4.1
105.07018	2.9
106.06557	1.4
106.66534	0.5
107.04953	3.0
107.08599	25.8
109.06546	1.0
109.10151	1.4
113.96437	0.8
117.03380	3.2
117.07020	1.9
118.06531	0.6
119.04914	0.8
119.08601	3.0
120.02080	1.1
120.08089	0.6
121.06503	1.7
121.10150	30.4
122.10497	0.6
130.06529	2.3
130.07755	0.6
132.08089	2.2
133.02859	25.2
134.03183	1.1
135.03392	1.5
135.04430	31.4
135.07971	0.7
135.11731	5.0
136.04736	1.1
138.03189	1.0
145.02878	3.0
145.06465	0.9
145.10135	2.5
163.03917	100.0
163.07574	2.3
163.11156	10.3
163.12416	0.9
163.14828	22.2
164.04253	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.00298	0.4
53.03949	2.9
55.01892	0.7
55.05516	0.7
63.02353	2.2
65.03933	0.5
67.05526	0.6
69.03416	0.6
69.07076	0.8
69.26296	3.6
70.57619	0.4
76.22855	0.4
77.03946	1.1
79.05499	13.0
79.05958	0.7
81.07059	1.2
89.03924	73.0
90.04266	1.1
91.05512	2.2
93.07056	3.5
95.04978	3.9
95.08628	1.3
97.32942	0.4
103.05499	2.0
105.03429	0.4
105.04512	1.1
105.07052	1.3
107.04961	15.1
107.08622	3.3
117.03385	56.0
117.07024	0.9
118.03696	1.0
119.08575	0.7
121.06519	0.7
121.10137	3.3
130.06543	0.4
131.04951	1.5
132.08081	0.5
133.02852	2.1
135.04424	100.0
135.11700	1.0
136.04730	2.0
145.02858	40.8
145.03883	1.7
145.10138	1.6
146.03192	0.6
163.03915	83.0
163.07581	1.8
163.11176	5.5
163.12369	0.6
163.14804	2.1
164.04175	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02371	1.0
52.10580	0.6
53.03947	5.5
55.01864	2.2
55.05518	3.4
63.73671	0.6
67.05502	3.1
69.03434	12.7
69.07063	5.1
70.96896	1.3
71.04996	1.5
77.03919	1.3
79.05494	16.8
81.03419	1.3
81.07052	7.7
83.04980	1.4
89.03913	15.3
89.04469	0.7
91.05482	16.6
92.02628	1.1
93.07045	58.2
95.04968	9.4
95.08606	4.2
98.57890	0.7
100.02459	1.3
103.05469	5.1
103.74469	0.6
105.03382	2.1
105.04510	2.9
105.07031	13.3
106.06534	1.0
107.04956	8.4
107.08595	36.5
109.06532	1.5
115.05434	1.6
117.03374	11.5
117.07021	7.0
118.03534	1.0
118.10522	0.6
119.04961	0.7
119.08578	7.5
121.06495	7.6
121.10149	15.0
121.11014	1.0
129.06943	0.7
130.06511	2.5
130.07796	3.2
131.04921	4.9
132.08087	2.8
133.02846	10.1
135.04422	33.5
135.08037	5.4
135.11681	14.2
136.07521	0.7
143.08516	1.4
145.02856	9.6
145.03935	0.8
145.06506	2.1
145.10124	29.9
147.08092	0.9
148.08827	3.4
161.09651	0.7
163.03912	58.2
163.07526	8.2
163.11183	100.0
163.14810	8.8
164.07060	1.3
164.11531	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	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
52.08629	0.7
52.87131	0.7
53.03939	2.4
55.05507	5.8
56.84803	0.7
65.03919	1.4
67.05165	1.4
67.05506	20.5
69.07066	4.9
71.56296	1.0
77.03889	0.7
78.93121	1.7
79.05495	29.5
81.06582	1.0
81.07064	26.0
91.05486	80.7
92.05814	1.4
93.07052	21.1
95.04947	1.8
95.08617	12.9
95.80732	0.7
103.05475	2.0
105.03367	1.4
105.07035	71.2
106.07336	1.1
107.08623	4.5
115.05453	3.7
115.09494	1.2
117.06211	1.7
117.07025	30.6
118.04211	0.8
119.08588	71.8
119.95759	1.8
120.08807	0.8
128.06226	4.2
131.08585	4.1
132.09386	1.0
133.06494	3.4
133.10139	39.5
143.08551	9.7
146.07289	1.9
159.11713	3.1
161.06010	4.0
161.09637	43.2
161.13266	100.0
162.13629	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.7
55.01863	0.7
55.05512	0.6
55.25303	0.5
56.80709	0.5
63.02380	2.0
67.05497	0.7
69.03434	0.7
69.07068	1.5
69.23857	2.4
69.24286	3.6
77.03942	1.0
79.05492	13.0
81.07054	2.4
89.03920	68.1
90.04261	1.2
91.05473	3.8
93.07053	6.7
95.04972	4.8
95.08617	1.5
98.21501	1.2
100.02532	0.8
103.05466	3.9
105.03395	0.8
105.04533	1.7
105.07058	2.5
106.06601	0.7
107.04283	1.0
107.04963	15.8
107.08596	7.2
115.05476	0.6
117.03383	56.0
117.07001	2.0
118.03723	1.3
119.08570	0.9
121.06495	1.5
121.10152	4.1
128.06366	0.5
130.06435	0.6
131.04924	4.2
132.08090	0.8
133.02849	3.5
133.06290	0.5
135.04420	100.0
135.08018	1.5
135.11644	1.9
136.04756	1.2
145.02855	42.1
145.03893	1.9
145.10132	2.5
148.08897	0.5
163.03911	83.5
163.07523	3.5
163.11182	8.5
163.12492	0.7
163.14835	3.8
164.04240	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
55.05270	0.2
55.05517	1.2
67.05508	0.9
69.07080	1.2
75.75472	0.2
79.05496	1.9
81.07063	2.0
88.98367	0.2
91.05487	8.0
93.07050	1.7
95.08617	0.6
103.05442	1.0
103.07520	0.2
104.06271	0.7
105.07038	24.8
106.07351	0.3
107.08604	0.5
115.05442	0.5
117.07019	2.9
119.08588	100.0
120.08907	1.9
121.10152	0.4
131.08578	1.1
133.06525	0.4
133.10135	9.7
143.08562	0.5
145.10188	0.4
146.07249	0.3
146.10916	0.5
159.11746	0.5
161.06004	0.6
161.09650	2.6
161.13272	16.2
162.13605	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
55.01878	0.3
55.05510	1.9
57.03431	0.3
67.05502	0.8
69.07076	1.7
69.74526	1.9
73.98264	0.4
79.05495	3.0
81.07059	3.6
85.02899	0.5
91.05486	10.3
91.06074	0.5
92.27798	0.3
93.07037	3.0
95.04976	0.8
95.08608	0.7
103.05480	1.3
104.06253	0.5
105.07036	51.6
106.07349	0.9
107.08572	0.8
115.03910	0.5
115.05466	0.8
117.07027	3.6
119.08585	100.0
120.08860	1.8
121.10132	0.8
128.06209	1.4
131.08578	3.0
133.06494	0.5
133.10136	17.9
143.08572	0.7
145.10150	0.7
146.07245	1.1
146.10815	1.1
159.11702	1.3
160.97015	0.3
161.05966	1.3
161.09642	4.7
161.13269	28.9
162.13571	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
55.05517	0.8
67.05505	0.9
69.07073	1.0
69.53800	1.1
69.54214	0.3
77.82517	0.2
79.05499	2.2
81.07067	2.3
91.05485	8.1
93.07063	1.6
95.04957	0.2
95.08602	0.3
103.05465	0.9
104.06261	0.5
105.07038	22.9
106.07359	0.4
107.08572	0.5
115.05471	0.5
117.07026	2.5
119.08587	100.0
119.76951	0.2
120.08910	1.8
121.10133	0.3
128.06291	0.3
131.08591	1.1
133.06479	0.3
133.10139	9.7
143.08583	0.5
145.10031	0.4
146.07297	0.4
146.10893	0.4
159.11726	0.7
161.06004	0.7
161.09634	3.0
161.13266	16.5
162.13641	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.3
55.01873	4.0
55.05513	7.3
58.90056	0.7
65.03961	1.0
67.05502	2.9
69.03438	2.5
69.07064	3.0
71.56070	0.6
72.86825	0.6
74.64121	0.9
76.04819	0.7
77.03920	1.1
77.04604	0.7
78.93117	1.9
79.05497	10.6
81.07055	2.9
83.04997	0.8
91.05488	33.2
92.05803	0.9
93.07042	7.5
95.04971	2.0
95.08540	0.7
96.94193	1.0
97.10170	5.6
103.05477	5.8
104.06268	0.8
105.03408	1.6
105.07037	100.0
106.07381	2.3
107.04955	3.3
107.08579	1.6
115.05465	21.1
115.09570	0.7
117.07029	12.7
117.07848	0.9
118.04178	2.0
118.06572	0.9
118.07865	3.1
119.01900	1.0
119.04939	1.6
119.08588	24.4
119.95881	1.8
120.08926	0.7
121.06494	3.6
121.10088	0.8
125.17318	0.7
128.06238	5.9
129.07042	1.0
131.04922	1.9
131.08585	12.0
132.05705	2.1
133.06500	20.5
133.10138	88.5
134.10489	2.3
137.96964	1.1
143.04950	8.3
143.05997	1.1
143.08559	7.4
145.06471	1.6
146.03627	1.4
146.07280	10.6
161.05992	21.6
161.09627	59.7
161.13249	15.4
162.05441	1.5
162.10016	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
55.01876	4.8
55.05521	4.3
64.20580	0.6
67.05505	4.3
69.03084	0.6
69.03437	11.0
69.07070	2.8
69.40858	5.3
76.21403	0.6
77.86309	0.5
78.93086	1.2
79.05500	7.0
81.03411	0.8
81.07059	5.4
82.57732	0.5
91.05486	34.4
93.07053	5.1
95.04967	1.5
95.08591	2.2
96.94188	0.8
97.32408	0.6
98.02794	0.6
98.21504	1.2
98.45004	0.6
101.95049	0.7
103.05466	3.0
105.03383	2.9
105.07038	73.9
106.07365	1.5
107.04958	6.7
107.08599	2.0
115.05479	4.7
115.09489	0.9
117.07021	12.4
118.07809	1.2
119.04967	3.8
119.08588	36.1
119.95770	1.3
121.06528	4.9
128.05370	1.1
128.06241	12.4
131.04951	2.2
131.08553	4.5
132.05750	1.1
133.02875	0.8
133.06512	6.6
133.10141	38.9
134.10558	0.9
137.05971	0.7
137.96835	0.7
141.06969	0.7
143.04984	1.1
143.08574	16.8
145.06532	5.5
146.03534	1.0
146.07275	12.4
159.08150	0.8
159.11723	1.1
161.06027	7.0
161.09631	100.0
161.13260	23.8
162.05515	1.4
162.09944	2.5
162.13567	1.1
183.31566	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62752	0.2
67.45744	0.2
70.54684	0.3
70.55028	0.3
82.99839	1.6
95.08539	0.2
100.02469	0.3
101.00886	24.5
102.00960	0.9
102.33082	0.2
115.02440	0.2
119.01926	100.0
120.02005	4.2
121.01607	0.3
121.02381	0.4
124.97543	0.4
125.02642	0.2
128.24231	0.2
133.03491	0.9
133.98082	0.9
136.48367	0.7
137.02963	27.8
138.03043	1.3
142.03485	1.5
143.01909	0.2
143.03635	1.2
144.03247	0.3
145.48923	1.3
151.04533	0.4
160.04642	0.2
161.01701	0.3
161.02960	4.4
161.04396	0.3
161.04807	0.2
162.03119	0.2
169.10536	0.2
179.04018	5.4
179.05576	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0599
Annotation	1,8-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
50.50182	0.4
52.97338	0.4
53.03949	0.4
55.01880	0.6
56.87516	0.4
58.87854	0.4
70.15722	1.1
70.16107	1.0
70.86617	0.4
77.03947	0.5
78.39165	0.5
79.05491	2.2
91.05484	5.5
103.05480	1.9
105.03427	0.8
105.07037	27.9
107.04996	0.5
114.44282	0.4
115.05466	14.6
117.36415	0.5
119.01897	0.6
119.04935	3.7
119.08620	0.6
128.89883	0.4
131.05019	0.9
133.06500	73.3
134.06842	1.1
142.04202	0.9
143.04961	3.1
152.80786	0.4
153.83391	0.5
161.05991	100.0
161.09529	2.3
162.05307	0.9
162.06372	1.7
171.05539	20.1
178.85629	0.4
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
55.05494	0.8
65.03957	0.8
67.05500	3.3
67.70553	0.6
69.45363	4.4
70.06604	0.7
71.55150	0.5
76.93388	5.0
79.05497	3.5
81.07065	3.0
85.02930	0.9
87.00855	2.3
91.05482	17.1
93.07054	1.7
93.83610	0.6
94.94424	1.9
95.04969	0.6
96.08173	0.6
103.05479	1.2
105.07039	15.4
113.02389	1.7
114.09196	4.5
115.05470	4.4
116.06252	2.8
117.01863	1.5
117.07030	45.5
117.95985	4.1
118.07304	0.8
119.08580	6.2
128.06209	1.0
129.07022	12.4
130.07809	11.2
131.08578	78.5
132.08900	1.9
135.96985	3.0
141.01808	5.2
141.07011	1.2
142.07736	0.8
143.08659	0.7
144.05730	1.0
144.09358	10.0
157.10127	2.6
159.02953	0.7
159.08109	8.7
159.11702	100.0
160.09709	1.4
160.12045	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	159.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
65.98254	0.6
67.05493	2.9
68.88939	0.6
71.45993	1.4
72.04488	0.9
76.93369	8.0
79.05492	4.5
81.07046	3.0
85.02867	0.9
91.04966	1.1
91.05489	16.6
93.07037	2.1
94.94392	3.1
97.06348	0.6
97.29675	0.7
103.05493	1.6
105.07043	13.9
113.02342	3.0
114.06549	0.7
114.09157	5.3
115.05480	4.4
116.06211	2.4
117.01852	0.7
117.07027	46.4
117.95995	7.1
118.96801	0.9
119.08595	4.5
128.06224	1.3
129.07021	10.4
129.70752	0.7
130.07796	13.4
131.08580	75.1
132.08916	1.9
135.97011	4.8
141.01857	9.8
144.09355	12.0
157.10156	3.4
159.08070	3.7
159.10150	3.2
159.11702	100.0
160.09755	1.6
160.12096	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.117
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
65.51689	0.9
66.46346	0.8
67.05495	2.7
69.43539	0.9
71.56680	1.1
74.41647	0.9
76.93372	12.4
79.05490	3.8
81.07036	1.9
85.22170	1.0
91.05486	15.0
93.07074	2.1
94.26431	1.0
94.94400	3.5
103.05478	1.5
105.07038	16.8
113.02366	1.9
114.09159	6.2
115.05453	3.2
116.06221	3.3
117.07024	41.0
117.95968	10.2
118.96780	1.0
119.08575	8.0
128.19696	1.0
129.07018	10.7
130.07817	8.2
131.08575	68.3
132.08914	1.2
135.97025	5.4
141.01843	7.5
141.06940	1.0
142.07785	1.8
143.08574	1.0
144.05765	1.0
144.09349	13.9
156.99556	0.9
157.10124	3.1
158.98669	1.0
159.06950	1.6
159.08099	9.2
159.10141	5.5
159.11697	100.0
160.09682	2.0
160.12036	2.2
166.79970	1.2
172.87294	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96577	0.6
67.05521	0.7
71.56923	0.7
76.93372	9.8
79.05512	0.6
81.07080	0.7
82.69777	0.5
87.00824	4.9
91.05498	6.0
94.94419	3.1
97.28307	0.5
98.97579	1.0
103.05471	1.2
105.07039	8.1
113.02399	1.8
114.09161	1.6
115.05466	14.3
116.04989	1.4
116.06241	1.9
116.98612	0.8
117.01868	4.5
117.04925	0.7
117.05772	14.7
117.07031	7.9
117.95997	9.0
118.06554	3.4
118.96780	1.0
119.08644	2.5
129.07002	4.2
130.06540	27.5
130.07742	1.8
131.04967	1.2
131.06960	1.2
131.08569	13.6
132.08096	97.6
133.08441	1.7
134.52431	0.5
134.99670	0.6
135.97044	4.7
140.04942	1.0
141.01842	4.9
141.06955	1.0
142.06531	21.2
143.07286	1.0
144.05693	1.1
144.09349	6.5
157.10173	1.5
158.08427	2.7
159.02921	0.9
159.08098	7.1
159.09181	100.0
159.11684	27.8
160.07582	14.5
160.09581	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.6
59.93099	0.6
61.91412	0.6
64.85668	0.5
67.05513	4.0
70.34778	2.2
76.02262	0.8
76.79715	0.6
76.93374	9.4
79.05493	4.3
81.07074	3.5
85.06507	0.5
87.00864	0.7
90.74621	0.6
91.05486	14.6
93.07056	1.8
94.94408	3.3
103.03302	0.6
103.05484	1.2
105.07039	15.3
113.02367	2.1
114.09193	4.0
115.05470	5.1
116.06238	2.2
117.07024	42.3
117.95985	7.4
118.07829	0.9
118.96774	0.9
119.08601	4.0
128.06216	0.9
129.07011	8.6
130.07816	8.5
131.04967	1.1
131.08574	75.4
132.08914	1.9
135.97018	4.1
141.01842	6.5
142.07756	0.8
143.08577	0.7
144.09334	8.9
157.10114	3.0
158.98651	0.8
159.02925	0.8
159.06966	1.4
159.08073	2.6
159.11700	100.0
160.09702	1.2
160.12007	3.4
172.09523	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86287	0.3
65.03942	0.5
67.05520	0.6
72.82463	0.3
75.89660	0.4
76.93374	6.5
79.05493	0.7
81.04576	0.4
87.00838	0.8
91.05485	4.7
91.57491	0.3
93.05789	0.8
94.94405	1.9
98.97564	0.5
103.05416	0.5
105.07022	4.3
113.02368	1.0
114.09186	1.2
115.05456	14.8
116.04987	0.9
116.06281	0.6
117.01844	0.7
117.05766	14.8
117.07003	4.6
117.95995	4.8
118.06567	2.3
118.96770	1.2
119.08564	1.4
129.07019	2.5
130.06532	27.0
130.07655	0.8
131.04987	0.5
131.06992	0.5
131.08566	10.1
132.08093	100.0
133.08415	1.2
135.97032	2.6
140.04947	0.5
141.01785	2.6
142.06529	16.0
143.07272	1.2
144.05710	0.8
144.06810	0.5
144.09360	3.2
157.10165	1.1
158.08397	2.4
158.09578	0.5
159.08098	6.3
159.09180	92.3
159.11667	18.1
160.07581	15.1
160.09583	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0917
Annotation	1,5-Naphthalenediamine
Peak:m/z	Relative Intensity
54.96725	0.3
69.91693	0.4
74.21364	0.3
76.93386	2.1
87.00834	0.6
91.05476	2.1
93.05785	0.4
94.94414	0.7
97.78630	0.3
98.21548	0.5
98.97562	1.0
105.07033	2.8
111.40918	0.3
113.02341	0.4
115.05453	13.2
115.06270	0.7
116.04978	1.1
116.98650	0.8
117.01862	0.5
117.05769	16.9
117.06976	1.4
117.95998	1.9
118.06606	1.7
119.08562	0.4
129.07039	1.0
130.06532	26.2
131.08554	2.5
132.08092	100.0
133.08432	1.4
135.97012	0.8
140.04947	0.9
141.01820	1.1
142.06525	18.7
143.07257	1.2
144.05667	0.4
144.09387	1.7
158.08414	2.0
159.09178	90.8
159.11523	6.6
160.07587	13.7
160.09512	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0127
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98626	0.4
56.96571	14.9
57.03448	1.1
57.93575	1.4
64.73419	0.3
67.05482	0.3
69.03455	0.9
69.07069	0.8
70.06602	0.5
70.98122	0.6
71.04993	1.1
71.40186	0.5
71.95265	2.4
74.97626	0.4
75.94612	0.6
79.73808	0.3
81.03419	0.9
84.08137	0.5
84.96049	0.6
85.02895	0.6
87.04488	0.6
89.06052	0.7
90.01568	0.7
93.95644	0.5
97.02911	0.6
97.44878	0.3
97.96809	1.1
97.99185	0.5
98.97592	100.0
99.04465	0.7
99.97937	0.5
109.02858	0.9
110.01300	0.6
112.07631	1.0
115.04082	0.4
115.97854	0.8
116.97238	5.9
116.98629	60.4
117.02073	1.3
119.01872	0.5
124.99143	0.4
126.02580	1.9
131.00148	0.8
131.99562	0.4
134.95839	0.6
134.99666	24.9
135.03104	1.6
140.00168	1.6
143.00143	0.6
144.03624	2.4
144.53752	0.4
152.96942	2.2
153.00717	2.8
153.74762	0.3
158.01280	1.3
158.06705	0.4
158.09668	1.4
158.15428	0.4
161.01259	0.4
170.99577	0.4
175.98497	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.2
54.92915	0.2
55.01881	0.3
55.05510	0.3
55.49279	0.2
56.96573	16.1
57.03436	1.1
57.93575	1.2
61.02934	0.3
68.02647	0.5
69.03444	0.7
69.70470	1.0
69.70883	0.5
70.06618	0.3
70.98118	0.6
71.05002	1.1
71.95274	2.8
73.02911	0.5
74.03684	0.4
75.94604	0.7
81.03417	1.1
81.50935	0.3
84.96046	0.5
85.00489	0.3
85.02912	0.8
86.03709	0.4
87.04471	0.4
89.06036	1.0
90.01546	0.5
91.02326	0.3
95.79472	0.2
96.33411	0.2
97.02360	0.2
97.02917	0.9
97.96809	0.8
97.99186	0.4
98.21471	0.5
98.97594	100.0
99.04468	1.0
99.97927	0.5
100.02477	0.6
101.00809	0.6
109.02847	0.3
110.01297	0.5
110.97598	0.4
112.55734	0.5
115.03917	0.6
115.97865	0.4
116.97243	4.1
116.98631	62.4
117.02061	0.8
118.03577	0.5
119.01889	0.7
124.99066	0.5
126.02556	1.4
128.98602	0.3
131.00145	0.9
131.99554	0.3
134.95821	0.4
134.99670	26.1
135.03079	2.1
135.53246	0.3
140.00186	1.4
141.94008	0.3
143.00183	1.3
144.03661	2.4
144.98056	0.3
146.99669	0.4
147.05000	0.5
149.01245	0.4
152.96928	1.5
153.00717	2.7
158.01308	1.4
158.06610	0.4
158.09674	0.7
161.00056	0.3
161.01247	0.9
165.38976	0.2
176.07640	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28804	0.4
55.01869	1.1
56.96359	0.3
56.96572	3.0
57.03436	0.9
58.99861	1.0
61.02914	0.4
66.40450	0.4
70.00665	0.8
70.01060	1.0
70.95872	0.7
72.93787	0.5
73.02917	1.0
78.52966	1.9
82.01438	2.6
82.99832	3.6
83.01488	0.5
84.99269	0.4
85.02911	0.5
86.52693	0.4
87.53500	0.6
91.02473	0.9
92.52694	1.4
95.01332	1.0
100.02487	5.3
101.00884	32.0
101.02570	1.9
101.53240	0.7
102.00976	1.3
102.02202	0.4
103.02456	0.7
106.10998	0.3
109.52021	0.3
109.54203	0.4
110.07178	0.7
111.98487	0.5
114.04064	1.0
115.01273	0.6
115.02447	1.4
117.01846	0.7
118.03518	2.1
119.01929	100.0
120.01995	3.1
124.02477	4.7
131.01932	2.2
132.02014	1.2
132.05060	1.3
132.95848	1.5
133.03468	7.7
133.05156	0.6
137.02963	21.1
138.03009	0.8
142.03514	45.7
143.03648	1.2
145.03522	0.4
149.09091	0.4
150.06126	0.5
150.96902	1.8
151.04556	2.8
156.05107	1.0
160.04565	9.6
161.04752	0.4
165.05049	1.0
174.06171	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.05513	13.8
55.93526	0.8
57.03442	0.8
57.07091	4.3
59.04992	2.0
67.05515	4.5
69.03435	1.7
69.07071	5.9
69.26138	5.8
69.96188	0.9
70.95860	6.1
71.04987	3.9
71.08622	0.7
71.94109	0.6
72.93794	100.0
73.02915	0.7
73.93839	0.8
81.03415	1.7
81.07059	11.2
83.04989	4.8
83.08620	5.4
85.06554	4.5
88.96907	1.7
90.94831	23.3
95.05009	1.4
95.08615	17.6
97.06573	1.1
97.10170	3.3
98.20703	1.0
98.98463	1.5
99.04462	4.1
102.94843	0.7
106.31844	0.6
108.95879	3.4
109.02902	4.1
109.06552	1.3
109.10172	4.1
110.06052	0.8
111.04446	3.8
111.98505	2.2
112.01546	0.7
113.06023	3.2
113.96410	53.6
115.05504	1.0
123.86139	0.5
127.03944	4.5
127.07574	1.6
128.06186	0.5
129.99536	1.4
131.96390	1.2
131.97446	35.5
132.95831	7.3
137.02457	0.8
137.05977	1.3
137.09665	1.1
137.13271	7.6
141.07002	0.9
145.99069	0.6
149.97255	2.8
149.98367	0.6
150.96912	12.2
153.07037	2.0
154.99071	4.1
155.03398	2.7
155.07082	7.6
155.08588	8.8
155.10616	1.0
155.14352	2.3
172.84583	0.6
173.98601	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25292	0.5
51.53992	0.5
52.33014	0.5
53.03941	1.2
54.63305	0.4
55.01866	1.0
55.05512	8.7
55.93516	1.1
57.03434	1.4
57.07077	29.0
58.91288	0.5
59.05004	6.5
62.52781	0.5
65.03947	0.6
67.05508	4.7
67.28823	0.5
69.03436	1.8
69.07070	9.6
70.95874	7.8
71.04998	3.7
71.08276	0.6
71.08632	4.5
71.56736	0.9
72.93792	100.0
73.93828	0.9
79.05510	1.1
81.03420	1.7
81.07062	11.3
83.04978	5.7
83.08626	3.0
84.05281	0.5
85.02898	0.7
85.06545	5.5
88.96903	1.7
90.94833	27.9
93.07069	1.3
95.04977	1.7
95.08614	13.6
97.06549	1.4
97.10173	2.3
98.98470	1.8
99.04445	2.7
99.08094	2.4
108.95874	4.1
109.02886	6.3
109.06532	1.4
109.10146	3.8
111.04439	4.5
111.11711	1.1
111.98450	2.3
112.09483	0.5
113.06017	3.7
113.96407	53.6
116.53579	0.5
120.17271	0.5
127.03922	4.0
127.07570	1.7
129.05460	0.5
129.99527	1.5
131.96297	1.9
131.97443	38.2
132.95837	9.1
137.02409	0.6
137.06010	1.4
137.09601	0.8
137.13272	7.0
145.99054	1.0
148.00710	0.5
149.97220	2.5
149.98418	0.5
150.96893	15.0
150.98082	0.9
153.07040	0.9
154.99049	2.3
155.03429	4.1
155.07074	9.2
155.08556	4.7
155.10722	1.3
155.14328	9.6
155.15546	0.6
155.97437	1.4
156.08139	0.9
173.98538	1.4
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	Unknow
Peak:m/z	Relative Intensity
53.03954	0.5
55.01880	0.5
55.05515	4.5
55.93528	1.2
57.03453	0.9
57.07082	2.7
64.51255	0.6
65.03951	0.7
65.88461	0.4
67.05505	3.8
69.03433	1.2
69.07077	11.3
69.33734	0.5
70.95867	5.0
71.04997	1.2
71.08638	17.1
71.56346	0.7
71.67912	0.5
71.94093	0.5
72.93796	100.0
73.50005	0.5
73.93851	1.1
74.06116	0.5
79.05525	0.8
79.50143	0.6
81.03428	2.1
81.07057	6.2
83.04989	3.4
83.08635	1.4
85.02913	1.0
85.06552	13.4
85.07066	0.7
85.76281	0.5
88.96917	1.5
90.94836	25.1
93.07069	0.7
95.04964	1.5
95.08618	4.7
97.10159	0.5
98.98463	1.2
99.04487	1.8
99.08098	8.4
100.11286	0.6
100.94390	0.5
108.95880	4.4
109.02902	3.4
109.06528	1.2
109.10175	2.6
110.07151	0.8
111.04485	3.7
111.98497	2.8
113.06033	2.4
113.96412	57.3
114.22724	0.5
114.96565	0.7
127.03903	3.3
127.07556	1.9
129.99513	1.5
131.97450	36.7
132.95839	7.2
137.05975	1.0
137.09612	1.0
141.07005	1.0
145.98987	0.8
149.97202	2.4
150.96901	13.0
151.55830	0.5
153.01028	0.5
153.07057	1.2
154.99084	4.0
155.03423	3.5
155.07039	6.3
155.08543	4.5
155.10616	0.6
155.14316	18.6
155.97366	0.8
168.97961	0.8
173.98499	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1431
Annotation	Grandisol
Peak:m/z	Relative Intensity
53.03948	1.5
53.57982	0.5
55.01878	1.1
55.05516	11.8
55.93521	0.8
56.94331	0.6
57.03444	1.3
57.07080	33.5
59.05008	8.9
62.85431	0.5
65.03931	2.2
66.72221	0.7
67.05508	14.4
67.28589	0.5
68.99756	0.6
69.03426	1.9
69.07072	12.5
69.96180	0.6
70.95869	9.4
71.04997	8.0
71.08627	0.7
71.18088	0.7
71.18415	0.6
72.93794	100.0
73.93840	1.2
79.05505	1.9
81.03426	3.0
81.07062	13.6
83.04991	7.7
83.08633	4.5
85.02913	1.6
85.06548	4.9
88.58710	0.6
88.96916	2.4
89.96341	0.5
90.94836	26.7
91.05499	1.4
93.03409	0.7
93.07056	2.6
95.04978	4.2
95.08613	21.6
96.05362	0.7
97.06538	15.2
97.07137	0.9
97.10181	4.2
98.98475	1.5
99.04469	11.5
99.08121	1.1
107.08593	1.0
108.95870	4.7
109.02885	6.1
109.06542	3.5
109.10165	14.8
110.07233	0.6
111.04453	7.6
111.08154	0.7
111.98470	4.4
113.06010	4.7
113.96410	53.2
115.05488	0.8
119.08599	0.6
127.03928	5.9
127.07587	2.2
127.98035	0.7
129.99535	2.1
131.96379	1.6
131.97444	36.6
132.95840	10.3
137.02391	1.0
137.05978	1.2
137.09619	3.5
137.13274	8.5
145.99052	0.8
149.97278	3.3
149.98433	0.8
150.96898	23.0
150.98061	1.3
153.07056	0.9
154.99007	3.3
155.03415	4.9
155.07083	12.8
155.08597	3.3
155.10677	13.9
155.11888	1.0
155.14294	8.7
155.97495	2.1
173.98555	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1067
Annotation	Crocusatin A
Peak:m/z	Relative Intensity
53.03935	1.3
54.81097	0.8
55.01861	2.5
55.05525	5.2
55.93523	1.1
57.03448	1.2
57.07067	2.4
59.04994	0.8
65.03947	4.2
65.50499	0.8
67.05173	1.0
67.05511	16.9
69.03430	2.3
69.07074	9.7
69.96159	1.0
70.53307	2.6
70.94432	0.8
70.95871	8.1
71.05000	19.9
72.93796	100.0
73.02901	1.1
79.05489	4.8
81.03430	3.9
81.07061	6.2
83.04993	8.4
84.50457	0.7
85.02855	1.2
85.06553	9.1
88.96925	0.9
90.94831	30.3
91.05487	2.7
93.03411	1.2
93.07050	5.5
95.04983	7.0
95.08620	21.9
97.06540	53.4
98.98464	3.1
99.03834	1.6
99.04465	28.9
107.08587	2.4
108.95852	4.1
109.02893	4.8
109.06526	8.1
109.10165	13.5
111.04453	10.8
111.98458	3.5
112.01533	0.8
113.06027	4.3
113.09615	1.0
113.96410	54.0
119.08594	1.8
125.09660	0.9
127.03919	4.7
127.07564	3.3
127.97957	1.0
129.05565	0.9
129.99547	1.6
131.96405	1.6
131.97452	37.1
131.98474	1.8
132.95853	7.7
137.02328	1.1
137.05933	1.9
137.09630	7.8
141.02884	0.9
149.97208	3.0
150.96899	12.7
153.07050	1.0
154.99049	3.1
155.03416	5.4
155.07033	12.2
155.08485	4.0
155.10689	25.2
156.06499	1.0
159.41422	0.9
168.97955	1.5
173.98383	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1068
Annotation	Crocusatin A
Peak:m/z	Relative Intensity
53.03946	1.0
55.01869	0.8
55.05517	4.8
55.93517	1.1
57.03455	0.7
58.13813	0.6
62.97193	0.7
65.03968	0.9
67.05505	9.8
69.03436	0.9
69.07077	10.2
70.95869	2.9
71.05000	17.7
71.11497	0.8
71.11845	1.3
72.93797	100.0
79.05495	3.8
81.03426	2.6
81.07057	2.7
83.04982	4.3
85.06553	8.4
88.96879	0.8
90.94838	23.9
91.05484	1.2
93.07068	5.2
95.04985	5.5
95.08612	17.5
97.06541	54.0
98.98484	1.7
99.04464	33.7
107.08612	2.4
108.95875	1.9
109.02888	4.0
109.06532	8.2
109.10167	6.9
111.04446	4.4
111.08076	0.8
111.98465	1.0
113.06024	2.7
113.96413	54.3
119.08576	2.2
127.03922	2.8
127.07571	1.6
131.96381	1.4
131.97446	35.2
132.95844	4.4
137.09612	6.5
141.06934	1.0
149.97221	2.0
150.96892	7.1
153.06984	1.1
154.99063	3.2
155.03445	3.0
155.07043	8.0
155.08530	6.4
155.10674	24.6
156.09268	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34162	0.5
53.03957	0.7
55.01882	0.5
55.05511	3.6
55.93525	0.6
57.07077	0.5
63.04487	0.5
65.03962	1.2
67.05512	5.9
69.03432	1.2
69.07076	5.9
69.96178	0.7
70.95563	0.6
70.95904	2.6
71.04999	11.4
71.94089	0.7
72.93796	100.0
73.93842	0.8
78.86539	0.5
79.05494	2.5
81.03419	1.6
81.07072	2.6
83.04993	3.2
85.06563	5.6
86.82371	0.5
86.95361	0.5
88.96901	0.8
90.94838	28.7
91.05494	0.8
93.07059	2.5
93.57839	0.5
95.04983	4.4
95.08617	11.4
97.06541	36.4
98.06837	0.6
98.98498	1.1
99.03830	1.1
99.04466	20.1
107.08611	1.7
108.95872	3.9
109.02881	3.1
109.06535	4.7
109.10165	5.0
111.04436	3.4
111.08075	0.6
111.98488	1.2
113.06018	2.3
113.96410	55.3
119.08598	1.6
119.31248	0.5
122.66312	0.5
125.09631	0.8
127.03925	2.3
127.07578	1.2
131.97449	38.5
132.95883	3.5
132.97708	0.6
137.05978	0.7
137.09601	4.5
145.98985	0.7
149.97235	2.3
149.98370	0.5
150.96899	6.1
153.06996	0.9
154.99042	4.8
155.03438	3.1
155.04495	0.7
155.07022	7.3
155.08543	4.3
155.10677	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	155.1068
Annotation	Boschnialactone
Peak:m/z	Relative Intensity
53.03952	2.0
54.13173	1.0
55.01889	1.5
55.05515	33.2
55.93536	1.5
57.03425	2.4
57.07074	2.9
59.05007	4.7
65.03935	3.7
67.05511	52.7
69.03437	3.2
69.07082	6.5
70.23898	0.9
70.95864	7.0
71.01363	2.7
71.05000	78.4
71.56143	1.0
72.93797	100.0
79.05496	3.8
81.03425	4.0
81.07064	21.6
81.83922	1.0
83.04980	7.3
83.08636	12.5
85.06563	3.0
90.94836	23.3
91.05486	5.2
93.03437	2.0
93.07067	10.2
95.04979	94.7
95.08615	85.5
96.05296	1.6
96.08937	1.3
97.06537	6.8
98.98494	2.0
99.04465	63.2
99.08069	1.2
107.08597	2.3
108.95872	1.7
109.02890	7.1
109.06531	4.8
109.10166	57.6
111.04433	7.3
111.08086	6.4
111.98491	2.1
113.06015	9.4
113.09637	1.7
113.96413	50.9
119.08614	3.5
127.03918	4.5
127.07567	3.3
129.05612	1.1
129.99538	1.7
131.96370	2.1
131.97446	34.7
132.95856	8.4
137.02341	1.0
137.05981	1.8
137.09630	14.0
137.13330	0.9
142.03673	1.0
149.97224	2.2
150.96913	12.9
153.07016	1.6
154.99120	2.4
155.03416	5.4
155.07056	11.8
155.08560	7.0
155.10631	8.6
173.98520	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.05270	0.3
55.05515	4.8
56.05022	0.6
56.05850	0.3
57.07089	1.5
61.33537	0.3
65.03931	0.7
66.04320	0.3
67.05495	1.2
68.05001	0.3
68.96326	1.2
69.03421	0.9
69.07061	0.5
69.91021	0.8
69.91442	0.8
70.06587	0.9
70.94252	0.8
71.04987	0.7
71.75648	0.3
71.94090	1.2
72.93794	12.4
79.05498	2.4
80.05014	0.4
81.03429	0.5
81.07063	6.7
82.06583	1.3
83.04967	1.1
83.07375	0.5
83.08632	1.4
84.04507	0.4
84.08154	0.7
85.06539	0.4
86.97403	0.3
88.95293	0.3
90.94825	2.7
91.05465	0.5
93.03428	0.4
93.05777	0.8
93.07036	0.5
94.06546	0.3
94.07381	0.3
95.04976	2.6
95.08616	1.0
96.04520	0.5
96.05301	2.5
96.08121	0.4
97.05275	2.5
98.06063	2.8
98.06628	0.4
98.09691	2.0
98.21432	0.4
99.04476	0.4
108.05231	0.3
108.08138	3.5
108.08871	0.6
109.02885	0.3
109.06522	5.9
109.10150	1.3
109.98972	0.7
110.06054	3.9
111.04458	1.5
111.06834	3.5
112.04771	0.3
112.08436	0.7
113.05997	0.4
113.33744	0.3
113.96404	6.3
124.07565	0.6
125.08384	1.1
126.09153	3.6
127.03932	0.7
130.96329	1.5
131.97466	4.2
136.03922	0.5
136.07593	0.7
137.02339	0.3
138.05524	0.6
139.06282	4.2
139.07379	0.4
148.97356	3.0
149.97205	0.6
150.22256	0.3
152.07112	0.6
153.97943	0.4
154.08633	100.0
154.90680	0.4
154.99017	0.4
155.03418	0.6
155.07030	1.5
155.09016	1.8
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	2-Isopropenyl-5-methylhexa-trans-3,5-diene-1-ol
Peak:m/z	Relative Intensity
53.03949	1.9
55.01859	3.0
55.05262	1.4
55.05516	23.2
57.03433	2.5
57.07073	3.7
59.04987	3.0
65.03942	14.0
67.05511	18.8
68.96319	1.2
69.03439	7.6
69.07075	39.5
70.54104	2.5
70.94263	10.7
70.95856	2.9
71.04995	5.0
71.94125	1.7
73.06554	1.0
79.05500	20.1
81.03419	1.1
81.07065	22.5
83.04990	10.5
83.08628	17.6
85.06553	1.3
88.95291	1.8
88.96915	1.4
91.05491	15.1
93.03410	4.7
93.07054	67.4
94.07389	1.0
95.04977	100.0
95.08614	32.0
96.05328	2.4
97.02905	2.2
97.06541	45.9
98.06901	1.0
105.07044	4.9
107.04979	4.5
107.08603	77.6
108.04453	1.0
108.05180	0.8
108.08929	1.6
109.06517	7.3
109.10167	33.8
109.10920	1.9
110.03651	1.5
111.04456	21.2
111.08093	26.9
111.96891	5.5
115.05524	1.0
117.07053	1.0
119.06078	1.3
119.08595	2.2
123.11712	1.3
125.02371	1.7
125.05994	7.5
125.09648	4.3
129.97925	4.3
134.54175	1.0
135.04439	3.1
135.06372	0.9
135.08063	7.7
135.11702	28.5
135.12715	1.8
148.97386	2.7
153.01848	3.3
153.05518	7.1
153.07040	2.0
153.09128	13.3
153.10211	1.3
153.12764	37.4
154.13103	1.1
158.53249	0.8
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
53.00307	1.5
53.03933	2.2
55.01867	4.3
55.05516	18.8
57.03446	1.7
57.07080	2.6
59.05005	6.3
65.03948	10.6
67.01869	15.2
67.05506	11.9
68.96343	1.5
68.99790	9.3
69.03436	9.8
69.07080	19.5
69.07454	2.1
70.94262	17.0
70.95856	4.0
71.04996	23.7
71.94095	2.9
73.06561	13.6
78.29410	1.1
79.01842	1.5
79.05496	28.4
81.03410	2.6
81.07061	68.4
83.01328	2.0
83.04984	15.5
83.08607	5.2
88.95296	4.6
91.05493	8.6
93.03407	2.6
93.07055	42.1
95.04977	100.0
95.08613	12.5
97.02898	4.0
97.06541	16.8
100.30897	1.2
105.07053	3.9
107.04932	5.0
107.08598	43.0
109.06557	6.8
109.10165	13.1
111.04443	12.8
111.08080	13.0
111.96870	8.5
111.98487	1.2
119.08614	1.4
125.02351	3.2
125.05998	7.0
125.09637	3.8
127.03915	1.6
129.97908	6.1
135.04427	1.7
135.08063	8.2
135.11703	20.1
138.06715	1.6
148.53117	1.4
148.97354	2.5
153.01848	30.2
153.05490	6.1
153.06938	2.4
153.09154	10.3
153.12761	21.5
171.02893	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	153.1275
Annotation	2-Isopropenyl-5-methylhexa-trans-3,5-diene-1-ol
Peak:m/z	Relative Intensity
50.57887	0.3
53.03942	0.7
55.01882	1.0
55.05516	3.1
57.03436	1.2
57.07077	1.8
58.38952	0.4
59.05009	2.4
65.03947	4.9
67.05509	8.8
68.89581	0.3
69.03436	1.7
69.07076	3.9
70.94257	2.8
70.95873	0.9
71.05010	2.0
71.94107	0.4
73.06559	0.3
79.05502	5.0
81.07067	8.5
83.04996	3.1
83.08633	1.4
85.06559	2.0
86.59716	0.3
88.30172	0.3
88.95271	0.6
91.05495	2.8
93.03400	1.3
93.07056	8.4
95.04977	100.0
95.08615	9.8
96.05308	1.5
97.06543	6.7
105.04509	0.3
105.07043	1.3
107.04970	1.8
107.08609	10.3
109.02866	0.4
109.06528	2.9
109.10164	11.1
111.04464	5.9
111.08088	12.6
111.11717	0.6
111.96883	1.8
117.07022	1.1
121.02904	0.5
125.02373	0.4
125.06036	2.0
125.09648	0.8
129.97934	1.7
135.04420	0.7
135.08080	3.4
135.11713	6.2
148.97356	0.5
153.01901	2.8
153.05479	2.1
153.06981	1.1
153.09152	3.5
153.10220	0.7
153.12762	16.8
165.78400	0.4
167.17224	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00312	1.2
53.03949	5.9
54.00673	1.2
55.01862	4.0
55.05267	1.4
55.05515	20.8
57.03436	2.7
57.07069	1.6
59.05007	7.9
65.03948	14.2
67.05507	18.0
68.96329	3.4
69.03429	5.9
69.07073	17.1
69.35738	10.4
70.94267	13.8
70.95860	5.2
71.04999	31.2
71.94099	1.1
73.06561	20.3
79.05056	2.4
79.05499	37.9
80.05843	1.3
81.03437	1.3
81.07062	92.0
82.07337	1.9
83.04989	15.7
83.08617	3.4
85.06560	1.4
88.95280	3.8
88.96883	1.5
91.05484	17.8
93.03430	6.7
93.07050	51.6
94.06589	1.2
95.04975	100.0
95.08614	12.6
95.14123	1.2
96.05328	2.4
97.06533	19.7
98.21461	2.2
103.51342	1.1
105.04496	1.7
105.07050	4.3
107.04966	16.2
107.08603	56.2
109.06530	10.0
109.10158	14.4
110.03645	3.0
110.25481	1.3
111.04453	23.1
111.08089	14.3
111.96883	8.4
111.98485	1.3
113.63103	1.1
117.06969	1.8
119.06057	1.7
119.08582	2.1
125.02380	1.7
125.06001	9.4
125.09636	4.7
129.97906	5.1
130.96352	2.1
135.04446	8.7
135.08054	9.6
135.11707	26.5
136.07567	2.9
148.97362	5.2
153.01852	10.2
153.05493	20.6
153.06648	1.4
153.07362	3.3
153.09161	9.1
153.12750	16.8
153.13901	2.1
154.04970	1.6
154.08653	3.6
174.21953	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03950	7.9
55.01880	4.6
55.05518	15.2
59.04997	4.3
65.03944	6.9
67.05510	8.9
68.96351	1.4
68.99785	3.2
69.03441	6.9
69.07073	5.6
69.74420	3.8
69.74822	1.4
70.94262	4.4
70.95860	2.6
71.04996	17.4
73.06558	8.9
77.03918	1.7
79.05502	39.8
80.05821	1.1
81.03432	1.1
81.07063	49.6
82.07373	1.3
83.04989	36.6
83.08621	1.9
88.95281	1.8
89.03905	5.1
91.04956	1.7
91.05489	20.0
93.03411	2.6
93.07053	61.5
94.07362	1.3
94.29913	0.9
95.04980	30.8
95.08632	5.6
97.02905	2.1
97.06537	8.1
98.20769	2.0
98.21414	2.2
105.04518	2.3
105.07024	4.5
107.04965	70.1
107.08604	40.0
107.21828	0.9
108.05281	1.0
109.06512	6.0
109.10163	5.7
110.03698	2.1
111.04453	11.5
111.08094	11.4
111.96879	1.9
115.05486	2.4
117.03387	2.0
117.07016	4.4
119.99845	0.9
123.54967	0.9
125.05995	8.0
125.09642	3.7
126.05505	1.8
129.97925	0.9
130.96284	1.5
135.03378	2.0
135.04428	39.2
135.08067	24.7
135.09122	1.5
135.11705	12.2
136.07602	4.1
137.02361	2.2
138.03139	3.5
148.97357	2.8
153.01921	2.8
153.05479	100.0
153.09079	14.5
153.12738	7.5
154.05879	2.1
154.08643	4.2
159.13675	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	(+)-cis-p-Mentha-2,8-dien-1-ol
Peak:m/z	Relative Intensity
52.58705	0.7
53.03944	1.7
55.01855	1.9
55.05513	8.5
57.03445	5.1
57.07069	1.8
59.05005	1.6
65.03945	4.1
67.05512	28.9
69.03426	1.9
69.07074	51.8
70.94267	6.6
70.95851	2.5
71.04987	2.1
71.94110	4.4
76.96603	0.9
77.03934	0.9
79.05499	26.8
81.07066	36.6
83.04973	5.0
83.08638	5.7
85.06569	2.0
88.95300	2.3
91.05476	3.9
93.03403	2.2
93.07051	46.8
93.36845	0.8
94.07400	1.0
95.04972	3.2
95.08613	19.7
97.06534	19.3
105.07051	1.6
107.04949	1.0
107.08601	46.4
109.06509	1.0
109.10165	31.6
110.03635	0.9
111.04523	4.6
111.08083	7.3
111.96894	4.9
112.96732	1.4
119.08608	0.9
125.06012	2.8
126.06328	1.4
129.97902	3.3
135.11703	100.0
136.12057	2.6
151.71725	1.0
153.05475	3.5
153.07265	3.1
153.09160	1.9
153.12756	87.1
154.04939	0.9
154.13112	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00308	1.4
53.03953	8.2
55.01872	6.1
55.05265	1.3
55.05516	17.9
57.03431	2.2
57.07065	1.3
59.05003	7.9
65.03949	11.4
67.05507	15.1
68.96325	1.8
69.03441	7.7
69.07069	11.5
69.67918	5.9
70.94267	9.1
70.95850	2.6
71.05000	29.8
71.07648	1.0
73.06561	17.7
77.03927	1.8
79.05499	42.0
79.05960	2.2
81.07062	91.0
83.04992	16.0
83.08610	2.4
85.02972	1.4
88.95310	2.2
91.05487	34.2
93.03410	5.9
93.07050	100.0
94.07376	1.2
95.04975	51.4
95.08626	10.7
97.02882	2.2
97.06547	11.4
105.04496	2.7
105.07058	6.9
107.04959	12.7
107.08601	71.6
107.22346	1.1
109.06535	7.6
109.10162	10.1
110.03655	1.7
111.04447	17.2
111.08091	17.6
111.96884	3.6
115.05460	3.3
117.07038	6.6
119.06078	2.2
121.09419	1.2
121.37436	1.1
125.06022	6.3
125.09634	4.2
129.97919	3.0
130.96385	1.6
135.04411	3.8
135.08058	38.1
135.11700	22.4
137.02328	7.4
138.03123	11.1
145.70876	1.0
148.97350	3.6
153.01877	6.5
153.05481	35.1
153.09111	25.3
153.12772	14.1
153.13953	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	153.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
55.01868	0.2
55.05503	0.4
57.03431	0.2
63.39296	0.1
65.03941	2.1
67.05505	3.3
69.03436	0.4
69.07059	0.4
69.40638	0.3
69.41048	1.0
70.94262	0.7
70.95863	0.3
71.04995	0.3
74.60384	0.1
78.57941	0.2
79.05479	0.8
81.07065	0.6
83.04977	0.7
91.05486	0.8
93.03415	0.3
93.07041	1.8
95.04973	100.0
96.05309	1.3
97.06539	0.4
105.07099	0.2
106.96280	0.1
107.04966	0.6
107.08601	1.3
109.06541	0.6
109.10165	0.6
110.03645	0.2
111.04440	0.8
111.08092	3.6
111.96902	0.3
117.07047	0.2
125.05978	0.4
125.09618	0.3
129.97934	0.3
130.96414	0.2
135.08076	1.0
135.11656	0.2
148.97406	0.2
153.01886	0.2
153.05511	0.4
153.09120	2.1
153.10246	0.1
153.12756	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.3
55.05505	0.4
57.03447	0.2
65.03645	0.2
65.03944	2.2
65.21273	0.2
66.33916	0.2
67.05509	3.2
69.03429	0.2
69.07071	0.2
70.68885	0.5
70.94261	0.5
70.95879	0.3
71.04990	0.5
79.05495	1.1
81.03433	0.2
81.07071	0.8
83.04979	0.5
88.95276	0.2
91.05485	1.0
93.03410	0.4
93.07055	2.0
94.06593	0.2
95.04974	100.0
96.05289	1.3
96.24191	0.2
97.06543	0.6
107.04972	0.4
107.08598	1.8
109.06534	0.9
109.10141	0.3
111.04446	1.0
111.08090	3.8
111.96867	0.2
125.06015	0.4
129.97783	0.3
135.04413	0.2
135.08051	0.9
135.11731	0.4
148.97377	0.3
150.12685	0.2
153.05493	0.7
153.09119	2.1
154.71143	0.2
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	3-Isopropylcatechol
Peak:m/z	Relative Intensity
53.03947	10.6
54.01607	0.9
54.30255	1.0
55.01883	6.2
55.05514	16.5
57.03412	1.7
59.04988	3.5
63.35384	1.0
65.03939	8.7
67.05511	12.5
68.96322	1.4
68.99783	3.5
69.03430	7.7
69.07073	8.2
70.71759	1.0
70.94260	4.6
70.95887	1.4
71.04996	12.7
71.14051	2.2
72.26867	1.0
72.93629	1.2
73.06567	7.0
73.87357	1.0
79.05499	42.2
79.05960	2.3
80.05829	1.4
81.07063	36.5
83.04986	32.5
83.08598	1.6
86.04572	1.0
89.03936	2.2
91.05489	29.9
93.03415	3.2
93.07053	100.0
95.04977	56.4
95.08619	4.7
97.02888	3.3
97.06535	9.3
105.04506	1.6
105.07036	8.0
107.04964	44.2
107.08603	57.0
108.08127	1.8
109.06540	10.4
109.10153	7.7
110.03664	1.5
111.04453	11.5
111.08091	19.1
111.96867	3.4
115.05466	4.7
115.71189	1.1
117.07032	7.8
119.06091	1.7
122.78953	1.1
125.05990	6.0
125.09660	5.5
129.97885	1.7
130.96288	1.9
135.04434	21.0
135.08064	44.7
135.11710	10.1
136.07576	5.4
137.02338	1.8
138.03122	3.7
148.97401	2.8
153.01874	3.4
153.05479	61.4
153.09099	26.4
153.12750	6.5
154.08643	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	153.0548
Annotation	4-Methylsalicylate
Peak:m/z	Relative Intensity
51.02396	0.6
53.03951	5.3
55.01877	4.0
55.05517	11.5
57.03422	0.9
59.04993	2.2
65.03951	4.5
67.05510	5.8
68.99799	3.3
69.03427	3.6
69.07067	4.3
70.03082	0.7
70.03414	2.3
70.94259	2.3
70.95869	1.8
71.01353	0.7
71.05000	8.1
73.06560	5.7
77.03912	1.6
79.05500	30.2
81.03421	1.1
81.07063	25.0
82.07382	0.6
83.04986	31.9
83.08609	0.9
85.02908	1.0
89.03912	5.5
89.70020	0.6
91.05495	12.8
93.03406	2.3
93.07052	35.6
94.07349	0.8
95.04362	0.8
95.04976	16.0
95.08609	2.2
97.02901	1.0
97.06540	5.8
99.04459	0.7
102.72672	0.6
105.04519	1.7
105.07047	3.6
107.04964	64.7
107.08606	25.8
107.09235	0.4
107.09383	0.7
108.08120	1.1
109.06532	3.6
109.10155	3.2
110.03648	2.2
111.04459	7.0
111.08089	7.5
111.96860	2.3
115.05466	1.2
116.07006	0.6
117.03395	2.0
117.07022	1.9
119.06072	0.8
119.50258	0.6
125.06008	5.2
125.09634	2.0
129.48775	0.6
129.97925	0.7
130.96310	0.9
135.04425	36.4
135.08066	15.0
135.11707	6.3
136.04787	0.8
136.07532	1.7
137.02318	1.1
138.03123	2.5
148.97400	0.9
153.05479	100.0
153.09087	9.0
153.12733	3.3
154.05840	1.0
154.08636	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	153.0548
Annotation	4-Methylsalicylate
Peak:m/z	Relative Intensity
51.02382	0.7
51.28190	0.5
52.74074	0.5
53.03949	4.5
55.01877	4.6
55.05263	0.6
55.05516	9.3
55.74456	0.6
55.93542	0.6
57.03426	1.6
59.05033	0.6
62.17527	0.6
65.03945	8.3
67.05515	6.6
68.96329	2.1
68.99477	0.5
68.99796	3.3
69.03438	5.6
69.07072	4.1
69.88750	2.8
70.94261	5.7
70.95877	3.0
71.01342	0.5
71.04981	1.8
75.42645	0.5
77.03930	0.8
79.01832	0.6
79.05500	28.0
80.05823	0.6
81.03413	1.6
81.07066	4.7
83.04990	31.2
83.08619	1.1
84.05283	0.7
85.02872	0.8
88.95306	1.9
88.96916	1.1
89.03925	4.1
91.05495	11.9
93.03412	4.0
93.07054	27.7
95.04975	17.0
95.08624	3.3
97.02904	2.3
97.06545	7.4
101.49810	0.5
105.04523	2.0
105.07057	3.6
107.04966	71.4
107.07864	1.1
107.08604	20.8
108.05302	1.8
108.08121	1.1
109.06535	5.5
109.10164	4.1
110.03664	7.8
111.04460	13.5
111.08101	7.2
111.96881	3.5
115.05463	1.9
117.03384	1.5
117.07053	3.2
119.06084	1.0
125.06001	9.3
125.09652	2.6
127.09471	0.5
128.53026	0.5
129.97929	2.5
130.96284	1.4
135.04430	51.6
135.08063	13.9
135.11719	2.3
136.04750	0.7
136.07574	2.7
137.02335	2.2
138.03120	9.0
148.97374	2.9
153.02052	2.7
153.05481	100.0
153.09061	8.8
153.10234	1.1
153.12749	2.5
154.05779	1.6
154.06987	0.6
154.08600	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0707
Annotation	2-Descarboxy-cyclo-dopa
Peak:m/z	Relative Intensity
53.03956	3.8
53.74004	0.6
55.01865	1.3
55.05514	6.2
56.01395	9.7
56.04784	1.2
56.05038	16.8
57.03431	0.8
58.02697	0.8
58.02961	9.8
63.17911	0.6
65.03596	1.3
65.03942	19.9
67.05507	52.3
68.05024	3.6
68.05832	2.5
69.03428	4.9
69.07073	3.8
70.06593	14.8
70.94270	1.7
71.56852	0.8
79.05495	24.1
80.05010	3.4
80.05804	1.2
81.03402	1.7
81.05798	7.3
81.07061	10.9
82.02934	1.2
82.06586	3.1
82.07391	2.5
83.04980	2.3
88.95306	0.8
91.05475	2.4
92.05800	2.8
93.03406	6.8
93.05775	1.6
93.07043	4.3
94.06561	1.9
94.07375	2.4
95.04973	52.9
95.08609	2.7
96.04494	3.5
96.07555	0.9
96.08137	10.7
96.08821	1.1
96.08965	1.0
97.06532	2.0
100.20638	0.6
104.81754	0.7
106.06544	3.7
106.07343	1.7
107.04988	1.5
107.08601	3.1
108.04477	1.5
108.08161	1.3
108.08912	2.2
109.01131	1.9
109.05263	1.5
109.06502	2.4
109.10157	1.9
110.03632	2.2
110.06054	1.8
110.06848	1.6
110.10486	2.1
111.03699	1.3
111.04448	22.9
111.05209	1.3
111.08086	2.8
111.96888	1.1
123.06814	1.1
124.04794	1.5
124.07600	9.3
124.08438	0.8
125.06004	8.7
129.97913	1.0
134.06010	2.5
134.10472	2.3
135.04437	1.1
135.08063	1.3
135.11697	1.0
152.01662	17.2
152.07068	100.0
152.10570	2.1
152.11713	4.0
153.01843	2.1
153.05469	3.5
153.07425	1.9
153.09113	1.7
161.91747	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0548
Annotation	4-Methylsalicylate
Peak:m/z	Relative Intensity
55.01883	3.5
55.05515	10.0
59.05806	2.9
65.03947	18.4
67.05511	9.0
69.03424	9.6
69.07049	11.9
70.94283	17.3
70.95861	4.8
71.29770	5.6
79.05506	22.0
81.07067	8.1
83.04991	13.1
91.05509	8.7
93.03423	9.7
93.07054	22.7
95.04972	14.4
95.08601	5.3
97.06548	11.5
102.54348	3.1
107.04971	28.2
107.08602	29.5
109.06535	5.5
109.10154	8.7
111.04449	32.0
111.08082	5.7
111.96931	5.0
125.06025	15.7
129.97885	4.0
130.96291	3.8
135.04427	13.1
135.08080	15.7
135.11719	7.6
136.07571	5.9
136.92848	3.9
138.03134	8.6
148.97372	7.3
153.01880	13.3
153.05484	100.0
153.06734	7.1
153.09111	10.1
153.10236	5.5
153.12735	7.0
167.42108	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	151.0755
Annotation	3,5-Dimethyl-4-hydroxy benzaldehyde
Peak:m/z	Relative Intensity
53.03945	4.0
55.01867	4.9
55.05517	7.2
57.03432	1.0
65.03947	6.1
67.05509	39.3
68.05019	0.8
68.99780	1.4
69.03436	7.3
69.07058	1.3
71.01348	0.7
71.35932	1.4
77.03915	2.1
77.52612	0.6
79.05495	11.2
80.05003	1.0
81.03410	2.3
81.07063	15.5
83.04977	2.5
91.05491	18.1
93.07053	15.2
95.01310	1.1
95.04362	1.0
95.04979	26.1
95.08613	39.8
96.08137	1.3
97.04857	0.7
103.05472	2.3
105.03416	5.3
105.04513	1.1
105.07040	30.4
106.06548	1.1
107.04958	2.5
107.08592	6.4
108.02088	1.5
108.05733	5.4
109.06540	10.3
109.10157	4.7
111.04446	1.6
111.07965	1.2
119.01901	0.9
119.04926	6.8
120.05706	0.7
121.06544	1.6
123.04438	100.0
123.08078	45.3
123.11691	4.3
124.04797	1.8
124.90710	0.6
132.95882	0.8
133.02864	16.8
133.06494	5.8
133.10141	4.8
134.06013	0.8
136.08850	0.7
141.05473	1.5
145.75708	0.6
151.02837	5.2
151.03938	48.8
151.04970	3.1
151.07544	96.0
151.11157	11.4
152.01672	2.0
152.04317	1.2
152.07086	2.0
152.08061	1.5
161.03020	0.8
169.03499	0.7
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	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
50.97203	0.5
53.03947	2.0
55.01870	1.3
55.05513	6.6
57.03435	0.7
57.07063	1.1
59.04990	0.5
65.03939	2.6
67.05508	22.2
69.03425	2.8
69.07068	1.4
69.63851	3.9
71.23057	0.6
79.05498	19.3
81.03405	0.9
81.07061	88.9
82.07386	1.1
83.04995	1.2
90.05846	0.5
91.05489	6.4
93.07047	12.4
95.04977	16.1
95.08611	7.7
96.05824	0.6
97.06533	1.3
105.07040	11.8
107.08594	7.5
108.05770	0.7
109.02872	0.6
109.06525	62.1
109.10162	18.7
121.10149	0.8
123.04435	3.7
123.08073	7.3
123.11719	12.5
127.07561	28.7
128.07961	0.6
133.06493	1.3
133.10130	9.1
151.02817	0.9
151.03922	3.2
151.07591	5.3
151.11194	100.0
152.07080	0.7
152.11528	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.039
Annotation	Piperonal
Peak:m/z	Relative Intensity
52.03157	0.4
53.03943	0.4
55.01863	0.6
55.05497	1.0
57.07070	0.5
59.05001	0.3
60.55704	0.3
65.03941	5.8
67.05507	5.6
68.99798	0.6
69.03394	0.5
69.07071	0.5
70.82361	0.7
74.93056	0.3
76.67420	0.3
79.05479	1.4
80.02633	0.8
80.06670	0.3
81.03407	0.5
81.07062	4.2
83.04974	0.4
91.05470	1.1
91.44423	0.3
93.03389	0.3
93.07046	2.3
95.04971	34.0
95.08609	4.9
96.05295	0.5
98.03625	0.4
105.07024	3.1
107.08595	0.9
108.02096	7.1
109.06512	1.5
109.10151	3.3
110.03659	0.6
111.04454	0.9
123.04434	5.2
123.08043	2.3
123.11712	1.2
130.10455	0.3
133.02902	0.4
133.06433	0.5
133.10132	1.2
136.01566	0.5
141.05507	0.8
151.03906	100.0
151.07452	2.9
151.11176	3.9
151.14799	0.5
152.04256	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0552
Annotation	5-Hydroxyoxindole
Peak:m/z	Relative Intensity
53.03944	5.7
55.01877	3.4
55.05511	1.1
55.97926	0.6
56.05036	1.3
56.96569	13.1
57.03452	3.7
59.05003	0.7
59.89717	0.6
60.95859	0.7
65.03944	11.1
66.04278	9.5
67.05508	29.8
67.05876	1.4
67.93567	1.2
68.02653	1.2
68.05027	1.3
68.05819	0.7
69.03431	1.4
69.43276	1.3
69.43688	3.6
71.04987	2.7
72.93789	4.9
73.02920	0.9
74.97630	0.9
76.72469	0.7
78.03445	0.9
79.05500	7.5
79.51929	1.2
80.05029	3.8
80.05830	3.4
81.03419	7.2
81.07057	2.9
82.01428	1.0
84.04495	2.9
85.02904	2.6
86.03707	1.4
89.06026	0.8
90.52955	1.0
90.90385	9.9
90.94827	4.2
91.05475	3.2
91.52118	1.8
92.05804	1.5
93.03432	1.0
93.05821	1.5
93.07051	2.1
94.03699	3.2
94.06571	75.1
95.03455	1.3
95.04980	7.8
95.06911	0.7
95.08603	0.8
96.04501	8.4
98.20725	1.1
98.97582	1.3
99.04463	2.3
99.53513	0.9
100.00090	0.7
100.02496	4.9
100.05232	1.1
101.00860	2.2
102.02320	0.7
103.05495	1.9
104.04007	0.8
104.05090	1.2
104.05817	7.4
104.52764	0.6
104.56037	2.1
105.03384	1.8
105.04504	0.8
105.07048	2.9
106.06563	19.2
107.04919	1.4
107.08625	1.5
108.04488	7.8
108.05247	1.8
108.91441	1.1
108.95854	1.6
109.02881	3.2
109.05138	0.7
109.06550	1.9
109.10153	0.7
110.08392	1.0
110.97570	0.8
111.04453	1.0
112.04794	1.6
113.53204	1.3
115.02354	0.9
116.98640	1.0
118.01141	2.1
118.03550	2.8
119.01910	4.6
119.04975	1.1
120.54015	1.2
121.02866	3.0
121.03992	1.3
121.06500	0.7
122.03220	21.7
122.04321	3.8
122.06036	43.1
122.06766	1.8
122.09707	0.7
123.04432	5.5
123.08072	2.2
124.03967	3.2
127.07079	4.0
129.53571	0.9
129.54515	1.4
130.04579	0.9
131.01929	1.2
131.92993	0.9
132.04427	0.9
132.05298	1.0
132.96515	0.9
133.02788	1.8
133.05095	1.1
133.10228	0.7
134.99649	1.0
135.04388	1.3
135.05379	0.9
137.02979	1.4
138.54169	2.3
140.03450	1.0
141.02763	4.0
141.96991	3.5
142.03525	3.4
143.03635	0.9
145.01572	1.1
145.03490	1.9
147.54626	1.3
147.55669	1.3
148.03938	1.6
149.94046	4.7
149.97266	2.2
150.02710	58.8
150.05504	100.0
150.07773	24.0
150.09134	5.8
150.10167	1.4
150.99203	0.9
151.02788	1.6
151.03928	5.8
151.04971	1.2
151.05975	1.4
151.07550	1.8
151.11198	1.7
152.07089	2.8
153.07373	0.8
157.03601	0.8
167.95122	1.0
167.97142	1.0
168.06564	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	149.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42251	0.9
53.03951	4.2
55.01866	2.5
55.05507	2.5
60.91199	0.9
65.03945	46.9
66.04259	1.2
67.05512	1.4
69.07069	3.4
70.67272	2.5
79.05500	17.4
81.07053	3.2
89.23570	0.8
90.55236	0.8
91.05486	21.1
93.03414	13.0
93.07045	34.4
95.04955	5.0
95.79273	0.9
98.03668	3.3
103.05476	10.6
105.04525	1.0
105.07031	22.3
106.07846	2.2
107.04981	1.0
107.08602	13.5
109.06533	1.2
111.04456	10.7
116.06271	1.4
119.08605	6.2
119.09316	1.0
121.02869	55.0
121.03971	14.3
121.06506	2.9
121.10152	22.9
122.03210	1.0
123.08057	2.1
129.06976	1.1
131.04939	11.4
131.08562	2.8
133.07635	1.5
149.02351	100.0
149.06000	3.0
149.09630	68.7
149.13220	1.9
150.02708	2.1
150.09956	1.3
167.03363	0.9
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
51.02381	0.5
53.03944	3.2
55.01882	3.0
55.05520	2.6
60.64656	0.4
65.03944	45.2
66.04294	0.7
67.05495	1.4
68.99785	0.6
69.03432	0.5
69.07063	1.4
71.64183	0.4
76.00362	0.4
77.03928	0.7
79.02659	0.4
79.05499	16.6
81.03442	0.4
81.07069	2.3
81.64041	0.4
83.33318	0.4
91.05486	19.8
93.03407	9.9
93.07048	31.7
94.07416	0.6
95.04978	4.3
95.08595	1.0
98.03658	2.7
103.05464	5.9
105.04501	0.9
105.07036	21.9
106.07864	2.8
107.04929	1.2
107.08595	9.2
108.08116	0.5
109.06519	1.3
111.04458	9.3
115.05470	1.2
116.06242	2.2
119.04939	0.5
119.06105	0.5
119.08587	4.6
121.02870	52.1
121.03979	14.4
121.06504	2.4
121.10153	17.9
122.03183	0.9
122.04356	0.4
123.08073	1.7
129.07022	0.7
131.04982	2.1
131.08565	2.3
133.07652	0.5
134.07245	0.8
140.45081	0.5
149.02350	100.0
149.05991	3.2
149.09625	61.4
149.13274	2.4
150.02672	3.3
150.05502	0.5
150.09981	2.8
150.11003	0.5
167.03400	1.2
169.03459	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
50.49022	0.9
53.03933	3.8
55.01867	2.9
55.05506	2.6
56.16967	1.0
65.03944	49.5
67.05492	2.5
69.03411	2.8
69.07059	1.4
69.67449	1.2
71.07278	1.3
71.07603	1.8
77.03899	1.7
79.05500	27.1
80.05844	1.1
81.07053	4.6
82.94128	1.1
86.47831	1.3
91.05487	31.7
92.05806	1.2
93.03402	12.1
93.06466	2.4
93.07050	41.4
95.04995	6.1
98.03664	2.3
103.05470	8.9
105.04531	1.7
105.07034	31.5
106.07800	3.7
107.04931	2.3
107.08603	11.7
109.06521	2.0
111.04475	5.5
113.81281	1.1
115.05482	2.1
116.06234	4.6
119.08607	5.8
121.02872	51.7
121.03982	15.9
121.06483	6.1
121.10154	22.3
123.08073	2.9
129.07011	2.3
131.04938	3.3
131.07732	1.3
131.08588	7.5
133.07574	1.1
149.02353	100.0
149.05991	2.7
149.09627	84.8
149.13268	2.2
150.02672	2.1
150.09979	3.9
169.03442	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
56.90338	0.3
56.94863	0.4
58.09999	0.4
64.92810	1.0
65.03946	11.7
65.69637	0.3
69.75249	0.3
70.53172	1.2
80.45924	0.5
91.05488	100.0
92.05817	2.0
96.72776	0.4
105.04536	0.4
105.07011	0.5
119.04953	86.2
120.05304	1.9
123.96491	1.4
145.07539	0.4
147.04419	30.5
148.04825	0.7
162.78651	0.4
166.48050	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
63.02380	0.6
64.92809	1.0
65.03944	14.0
70.14645	1.3
70.15047	1.0
91.05485	100.0
92.05818	1.9
98.20893	0.6
105.07000	0.9
119.04951	88.3
120.05289	1.6
120.84323	0.6
123.96483	2.1
136.07695	0.6
147.04417	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	147.0442
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
62.92445	1.0
65.03947	10.8
70.85867	2.4
75.74277	0.9
77.93152	0.8
91.05490	100.0
92.05848	1.7
119.04957	95.7
120.05286	3.4
147.04424	34.9
147.11685	1.3
160.02370	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
50.13971	1.2
52.88129	1.1
53.03942	5.0
55.01861	3.6
55.05512	2.6
58.83320	1.2
64.60989	1.1
65.03943	52.5
67.05511	1.8
68.57820	1.1
69.07059	2.4
70.90269	3.0
79.05495	19.3
81.07050	4.4
86.49567	1.1
91.05482	21.3
93.03435	10.1
93.07049	38.0
95.04971	4.1
95.08600	1.5
98.03682	2.4
103.05456	8.6
105.07030	25.4
106.07844	2.3
107.04937	1.4
107.08601	11.5
111.04436	11.0
116.06236	2.1
119.08589	5.3
121.02871	60.7
121.03976	14.3
121.06505	3.4
121.10155	23.3
122.03223	1.7
123.08070	1.8
131.04919	9.3
131.08571	2.8
134.07259	1.6
149.02353	100.0
149.05989	3.1
149.09625	69.9
149.13318	1.6
150.02638	2.6
150.10034	1.5
169.03415	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
63.97035	0.5
64.98823	0.5
65.03945	11.2
70.95977	0.6
71.15874	1.0
79.25758	0.6
83.19360	0.7
91.05489	100.0
92.05830	2.2
105.07050	1.3
119.04955	95.7
119.08609	1.9
120.05283	2.8
147.04420	34.6
147.11674	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
51.02370	0.5
64.43381	0.5
64.92809	1.5
65.03945	10.9
69.98261	2.2
74.29337	0.4
88.55061	0.5
91.05488	100.0
92.05822	2.1
98.21464	0.8
105.07032	1.2
110.61502	0.6
110.64845	0.5
119.04955	88.0
119.08592	1.9
120.05285	1.9
123.96503	2.6
147.04425	31.9
147.08086	0.8
148.04807	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
53.03955	0.6
60.33072	0.4
64.92817	1.5
65.03944	10.6
70.62332	0.9
70.62669	0.6
77.03947	0.4
91.05488	100.0
92.05818	2.3
105.07057	1.3
115.57109	0.4
119.04954	92.4
119.08610	1.1
120.05276	2.7
123.96474	3.1
135.89032	0.4
147.04425	32.2
147.11661	0.5
148.04784	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
55.41539	0.7
63.08506	0.6
63.82376	0.7
65.03947	12.6
71.01437	1.6
72.92183	0.6
82.20013	0.6
91.05487	100.0
92.05824	2.3
96.28113	0.7
119.04949	94.5
120.05291	2.3
147.04417	36.6
148.04765	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
53.26953	0.5
54.49406	0.5
64.92821	0.5
65.03945	11.7
68.12492	0.4
70.70867	1.1
70.83938	0.4
72.85268	0.6
91.05486	100.0
92.05813	2.0
103.05473	1.0
104.46136	0.5
104.83527	0.4
105.07033	4.9
110.32266	0.5
111.89351	0.6
116.27532	0.6
117.07027	1.4
119.04948	91.5
119.08585	6.3
120.05265	1.6
140.68039	0.5
147.04419	32.8
147.08017	1.6
147.09114	0.9
147.11697	2.5
148.04695	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	Unknow
Peak:m/z	Relative Intensity
64.92814	2.0
65.03947	10.9
68.67886	0.4
70.28564	1.7
78.38415	0.4
85.04057	0.4
87.08770	0.4
87.84386	0.4
88.14653	0.4
91.05486	100.0
92.05801	2.1
103.05448	0.5
105.07039	2.4
119.04950	89.1
119.08594	1.9
120.05285	2.5
120.36084	0.4
123.96471	2.5
140.60912	0.4
147.04419	31.8
147.05452	1.4
147.08052	1.1
147.09119	0.5
147.11726	0.6
148.04861	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0649
Annotation	2-Naphthol
Peak:m/z	Relative Intensity
53.03935	1.9
55.01865	2.6
57.03435	0.9
69.03429	4.8
70.10679	1.5
71.05004	4.2
81.03436	3.1
83.01331	0.9
85.02901	5.7
91.05486	12.9
96.28539	0.6
97.02922	3.4
99.04454	9.8
103.05477	17.7
105.07026	6.8
115.05461	25.2
116.06296	1.0
117.07023	71.5
118.06580	1.1
118.07348	1.5
121.96647	2.6
127.03909	1.6
127.05438	8.2
129.06938	0.7
130.07802	4.4
140.30843	0.8
143.08549	0.7
144.05739	0.8
145.06491	100.0
145.10135	10.7
146.06865	2.6
155.06044	43.8
156.06357	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.0
55.01877	1.4
57.03427	2.3
59.04993	0.5
61.02922	1.4
62.92985	1.2
67.05502	2.6
69.03437	4.8
71.01357	1.0
71.04996	7.8
71.10735	0.8
71.11044	0.6
76.90001	0.6
79.05487	1.8
81.03416	3.7
85.02913	8.2
89.03904	1.3
91.05487	16.0
92.05801	0.6
97.02888	2.7
99.04459	18.2
101.02388	0.6
103.05467	3.9
105.07034	63.3
106.07344	1.4
109.02864	1.4
114.20217	0.7
115.05456	10.8
116.06237	2.2
117.07021	28.1
118.06598	1.2
118.07333	0.7
118.94323	0.7
121.01616	0.6
121.96625	2.2
127.03908	2.8
128.04959	1.1
128.06212	8.6
129.07005	14.9
130.07790	48.4
131.08147	0.9
131.84557	0.6
143.08577	9.0
145.05017	1.3
145.06487	4.7
145.10127	100.0
146.06017	3.3
146.10452	2.9
147.08037	1.0
155.06015	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1068
Annotation	trans-2-Octenoic acid
Peak:m/z	Relative Intensity
55.01876	3.5
55.05511	18.4
57.07088	17.2
67.05508	9.4
69.03426	9.8
71.04999	100.0
73.06552	13.9
74.39556	2.8
79.05508	5.4
81.07063	7.2
83.04974	12.6
83.08611	9.3
85.06546	43.3
85.07014	4.4
87.51448	2.7
91.05470	4.1
97.02885	4.9
97.10182	10.9
98.09645	3.1
98.20711	7.7
105.07019	3.2
107.08596	30.5
115.05483	4.3
119.96724	2.8
125.02361	8.3
125.09645	23.6
128.06221	46.0
135.63933	2.9
143.03403	55.4
143.08611	18.3
143.10699	4.0
155.06134	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	143.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.8
55.01875	2.9
55.05519	10.5
57.07083	6.8
59.04998	2.4
65.03952	1.7
67.05499	5.0
69.03119	1.6
69.03436	15.0
69.07063	2.0
71.05000	43.4
71.56896	1.5
73.06555	5.4
75.40543	1.2
79.05489	1.5
81.07040	1.5
83.01354	1.5
83.04979	5.1
83.08612	4.2
83.95922	1.1
85.02954	1.2
85.06546	19.0
87.02687	4.3
91.05460	1.4
91.16002	1.1
97.02904	11.1
97.10175	6.8
101.95049	3.1
104.02959	1.6
107.08599	14.5
115.05454	2.3
119.01929	4.5
125.02359	12.8
125.09647	9.4
128.06236	21.4
128.90317	1.3
129.41418	1.3
143.03407	100.0
143.08577	6.0
143.10661	2.6
144.03745	1.8
144.04724	2.4
144.08067	2.6
155.06021	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1067
Annotation	trans-2-Octenoic acid
Peak:m/z	Relative Intensity
53.03929	2.2
55.05508	21.3
57.06828	1.8
57.07079	23.9
59.05000	3.6
59.38663	1.7
67.05505	12.8
67.36650	2.0
69.03426	9.2
69.07056	5.0
71.04992	100.0
71.41042	2.5
72.05333	2.1
73.06559	11.1
73.57851	2.1
76.68027	1.9
79.05495	6.7
80.82466	1.7
81.07055	4.2
83.04980	14.4
83.08614	10.3
85.06544	45.7
87.02645	2.0
91.05496	2.1
97.02895	4.8
97.10168	13.3
105.07065	2.1
107.08589	35.1
119.01915	2.1
125.02349	6.0
125.09624	19.7
128.06212	14.0
143.03404	44.6
143.08546	7.1
143.10666	4.6
144.04736	2.7
148.82016	1.8
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
69.94250	15.3
69.94649	8.7
72.13353	4.2
73.04929	5.5
74.15385	4.6
75.40269	4.4
90.40855	4.7
91.85320	4.4
101.00896	22.9
119.01929	100.0
137.02982	21.1
142.03508	11.0
160.04552	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	142.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
65.90340	4.2
70.97976	11.6
72.86852	4.7
90.75433	4.5
98.20882	4.3
101.00888	27.6
119.01936	100.0
137.02968	21.3
142.03519	16.6
145.70209	4.3
154.05504	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	142.0865
Annotation	Ethosuximide
Peak:m/z	Relative Intensity
55.01864	3.0
55.05517	7.0
56.05028	3.4
58.06593	8.4
59.56152	2.2
59.93106	5.7
60.96529	2.1
65.42572	2.2
69.03438	12.2
69.07072	21.6
70.98228	3.9
71.08636	95.7
79.05493	5.9
80.40631	2.1
83.04971	2.1
96.04504	2.7
96.08138	24.4
97.02904	8.0
97.06517	10.6
101.95049	1.8
114.09172	50.5
118.96784	7.0
119.01911	6.2
124.07563	2.3
125.02355	9.1
128.06248	2.9
137.02969	2.2
141.06999	3.4
142.04976	3.2
142.07570	2.7
142.08649	33.8
143.03410	100.0
145.55206	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	143.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.4
55.05516	19.5
56.60247	1.7
56.74338	1.7
57.07078	17.5
59.04994	2.8
67.05503	8.7
69.03440	14.0
69.67963	2.9
69.68373	8.7
71.04999	97.8
73.06562	12.7
76.02127	1.6
79.05494	5.9
79.80096	1.7
81.07069	5.3
83.04977	8.5
83.08593	6.1
83.79037	1.8
85.06544	45.2
87.02696	7.9
91.05470	2.5
97.02905	11.1
97.10165	9.8
98.06061	4.1
98.21434	2.4
101.95072	5.1
103.05437	1.8
103.39470	1.8
104.02924	3.0
107.08598	27.8
115.05439	2.8
119.96098	3.0
121.00845	1.9
125.02374	11.7
125.09660	20.1
128.06262	24.4
129.07007	2.1
139.01804	3.9
141.07043	2.4
143.03407	100.0
143.08537	11.0
143.10703	6.2
144.04756	5.3
155.06004	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	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04386	7.5
52.23050	7.5
53.09084	7.5
69.61543	53.6
74.11440	6.9
91.73450	8.6
98.20739	12.1
101.00904	39.1
119.01926	100.0
124.02467	10.3
137.02933	35.7
142.03479	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95418	8.8
59.95498	25.0
60.95147	19.7
70.13728	18.4
70.77915	6.2
81.55426	5.7
101.00886	29.8
117.99113	5.7
118.99215	14.3
119.01944	100.0
119.98792	26.9
133.98129	8.3
137.00209	15.0
137.02969	27.3
137.99889	12.1
142.03485	12.0
145.48975	6.1
145.64853	6.8
154.56160	5.4
161.33295	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	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
63.74983	5.5
70.21918	10.2
70.22267	24.3
101.00882	32.7
118.18279	6.6
119.01919	100.0
137.02965	28.3
142.03473	20.8
160.04451	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	140.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.4
56.05046	0.6
56.96566	2.1
57.19670	0.4
57.93574	1.2
58.06604	100.0
59.06939	0.9
59.35443	0.4
64.70089	0.4
65.03965	0.6
67.05513	4.0
69.03433	3.4
69.07081	2.2
70.48001	1.0
71.95273	0.7
81.07092	0.9
82.19274	0.4
84.08150	0.9
94.06594	1.3
95.04967	3.3
95.08649	0.4
98.97596	8.2
112.07620	5.9
112.08341	0.5
113.02397	0.8
113.06033	1.2
116.97301	1.0
116.98633	5.3
122.03269	0.5
122.06065	1.1
123.04467	0.8
125.02386	0.5
134.99670	3.4
140.03412	0.8
140.04393	0.7
140.07129	1.6
140.08127	0.4
140.14343	2.5
141.01845	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0707
Annotation	Myrothenone B
Peak:m/z	Relative Intensity
56.96556	3.5
58.06600	20.4
65.03937	6.9
66.04257	3.1
67.05508	62.8
67.05875	3.0
68.05846	1.8
69.03432	59.0
69.07071	35.2
69.73634	5.6
69.74041	3.8
70.06590	2.8
71.94814	1.4
71.95222	2.0
77.73034	2.0
78.06634	1.8
84.08141	11.1
94.03745	3.6
94.06592	11.8
95.04974	49.9
98.97600	18.9
107.41011	1.4
111.04446	1.9
112.04116	1.7
112.04754	9.6
112.07611	100.0
113.06012	18.0
116.97242	4.6
116.98637	11.0
122.06030	6.9
123.04403	5.1
124.98567	1.6
134.99672	5.6
140.04263	2.1
140.07076	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	140.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.7
56.05035	2.9
56.96568	14.3
57.93572	6.8
58.06603	2.5
65.03946	7.0
66.04276	2.0
67.05510	67.2
69.03076	3.7
69.03436	61.8
69.07078	37.6
70.01621	8.4
70.02945	1.9
70.06621	2.7
71.95271	3.7
84.08154	10.7
94.06570	18.3
95.04977	49.2
95.08616	3.0
97.05334	1.6
98.21439	2.1
98.97591	46.5
109.27652	1.7
112.04805	3.5
112.07615	100.0
113.02386	3.0
113.06023	16.9
116.97294	13.1
116.98620	39.6
122.06058	7.4
123.04424	6.1
123.05571	2.0
134.99625	16.6
140.03419	2.5
140.07079	19.0
140.08060	3.4
141.01891	2.4
153.00664	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	140.002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
56.05030	2.8
56.96292	1.6
56.96571	39.2
57.93572	41.0
59.93110	1.2
66.53381	1.2
67.02964	1.1
67.05486	1.6
67.93566	6.8
68.05042	1.8
70.06586	2.3
70.94786	3.1
71.95276	9.8
75.94570	1.2
83.06103	1.6
84.04497	1.9
94.06588	6.8
95.01359	1.3
95.05011	1.6
96.05657	1.3
98.06084	1.9
98.97594	96.9
99.05608	1.6
112.03971	4.7
112.04726	1.8
112.07622	4.5
113.02390	3.7
116.96383	2.5
116.97257	77.4
116.98616	100.0
122.06040	4.1
122.07163	1.2
123.05553	1.6
128.03421	2.4
134.99669	83.9
139.98814	2.8
140.00186	2.7
140.03416	6.7
140.07040	4.8
140.08096	2.9
140.10660	2.1
140.95119	2.0
141.01868	4.8
141.96170	1.3
148.96210	8.4
149.01199	1.8
153.00720	13.0
156.02965	2.8
158.01276	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	140.0021
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96292	1.3
56.96569	24.7
62.12879	0.7
70.07996	2.2
70.08411	1.5
71.95273	5.1
74.63251	0.7
79.48470	0.7
91.79203	0.6
98.97591	100.0
116.98632	67.9
134.98627	1.1
134.99666	23.7
140.00204	1.1
153.00769	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	140.0021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95443	0.6
56.96290	1.3
56.96570	25.3
59.31424	0.7
71.36280	0.9
71.95274	6.2
72.40386	0.6
98.97592	100.0
116.98630	67.5
116.99837	0.9
119.14172	0.6
133.08913	0.6
134.98633	1.2
134.99666	23.5
140.00197	1.9
153.00760	3.3
158.01265	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1326
Annotation	(R)-(-)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03958	1.5
55.05513	6.1
57.07081	13.5
65.03936	1.6
67.05510	29.9
69.07073	6.9
70.14152	2.9
71.92812	0.7
79.05499	9.7
81.03407	0.7
81.07065	69.3
81.10136	0.6
82.07390	1.4
83.08645	0.9
84.13916	0.7
88.07626	0.7
91.05483	3.8
93.07057	9.2
93.30162	0.8
94.04199	0.8
95.04978	1.5
95.08615	100.0
96.08966	2.3
96.90571	0.6
104.89040	0.6
107.08604	1.3
109.06528	2.7
109.10168	10.1
119.08533	0.8
122.03612	1.2
122.07314	0.7
137.02383	2.5
137.05986	3.1
137.09650	4.8
137.13261	11.4
138.09158	0.7
147.55899	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0391
Annotation	Gentisate aldehyde
Peak:m/z	Relative Intensity
53.00311	12.8
53.03936	1.3
55.01871	2.6
55.05515	3.6
56.96560	1.8
59.94687	0.6
65.03949	22.0
67.01859	1.2
67.05513	4.1
68.99793	4.0
69.03430	3.1
69.07066	1.5
70.95372	1.2
70.95728	0.8
71.01358	0.9
71.04974	0.5
79.05507	0.7
80.87829	0.5
83.04993	5.7
83.06101	1.9
93.03400	8.8
93.07028	2.4
95.04971	3.2
95.08614	0.9
97.02901	1.9
97.06538	1.6
98.97596	3.5
98.98465	4.6
111.04451	25.5
111.08109	1.6
112.07611	0.9
116.97238	1.0
116.98643	2.5
121.02010	0.6
121.02875	11.6
125.53567	0.5
134.99655	2.0
137.95309	0.5
139.03912	100.0
139.07518	1.7
139.08571	1.0
139.11259	1.1
139.12323	3.8
140.04283	1.7
141.73422	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1326
Annotation	(R)-(-)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03939	3.2
55.01874	1.6
55.05519	6.7
57.07082	10.5
59.66488	0.8
65.03934	2.7
66.04719	0.9
67.05511	37.1
69.07074	7.5
71.08080	2.0
73.25984	0.9
79.05064	1.1
79.05501	14.0
81.03391	2.1
81.07064	79.3
82.07378	1.6
91.05499	9.4
93.07049	11.4
94.04195	7.8
95.05004	4.1
95.08616	100.0
96.08929	1.6
105.04503	1.0
107.04964	3.8
107.08587	1.4
108.09391	1.1
109.02938	0.8
109.06527	6.1
109.10175	13.3
119.04938	1.1
119.08582	7.4
122.03654	9.6
122.07298	8.2
137.02403	5.1
137.03415	1.3
137.05981	17.1
137.09627	16.6
137.13254	12.1
138.01776	1.0
138.09132	2.4
142.31361	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1326
Annotation	(R)-(-)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03949	1.7
55.01867	0.5
55.05516	6.0
57.07080	11.4
64.67133	0.4
65.03947	1.5
66.92428	0.4
67.05511	32.1
68.05878	0.5
69.07070	6.8
70.42763	1.0
70.43108	0.7
71.08624	0.5
77.03897	0.5
79.05500	10.2
81.03425	1.3
81.07063	70.6
82.07389	1.1
83.08612	0.5
91.05484	6.0
92.05795	0.6
93.07050	8.8
94.04195	1.9
95.04961	2.5
95.08614	100.0
96.04535	0.5
96.08983	1.5
105.04581	0.5
107.04940	0.8
107.08602	1.7
108.09379	0.8
109.02898	0.5
109.06546	2.5
109.10162	10.1
110.06033	0.7
116.73263	0.4
119.05015	0.8
119.08599	1.8
122.03675	1.3
122.07283	2.0
122.10953	0.7
123.06837	0.6
123.49229	0.4
137.02451	4.4
137.03462	0.8
137.05960	4.6
137.09622	6.6
137.13266	12.0
138.01736	0.8
138.05507	0.7
153.86836	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1326
Annotation	(R)-(-)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03939	3.7
55.01875	2.4
55.05509	6.4
56.69960	2.2
57.07078	10.5
57.74860	1.6
65.03938	3.1
66.04717	2.0
67.05508	33.0
69.03451	1.6
69.07060	6.0
71.41108	2.0
71.41417	1.9
73.91983	1.7
79.05489	10.3
81.03444	8.0
81.07062	57.1
91.05477	7.2
93.07046	10.5
94.04205	10.1
95.04981	3.1
95.08611	100.0
96.08968	1.9
109.06523	6.9
109.10192	8.6
119.05000	2.3
119.08520	1.9
122.03648	8.0
122.07308	6.5
122.34359	1.9
123.06812	2.8
137.02380	17.9
137.03488	5.3
137.05963	16.0
137.09650	11.1
137.13260	9.3
138.09200	2.0
143.65036	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1326
Annotation	(R)-(-)-alpha-Phellandrene
Peak:m/z	Relative Intensity
50.59422	0.7
50.77084	0.7
53.03940	2.9
55.01881	0.9
55.05310	0.7
55.05517	7.6
57.07080	10.0
57.66352	0.7
65.03934	2.9
66.04715	1.3
67.05509	35.7
69.07072	8.1
71.01760	1.4
71.39611	0.7
72.01364	0.7
79.05497	13.5
81.03425	2.0
81.07063	76.7
82.07401	1.2
91.05494	9.5
93.07052	10.2
94.04198	8.7
95.04980	3.2
95.08612	100.0
96.08923	1.5
107.04969	3.1
107.08589	1.7
109.02949	0.9
109.06506	5.2
109.09445	1.5
109.10158	14.7
110.06053	0.9
119.04959	1.3
119.08590	5.4
120.04501	0.8
121.06573	1.1
122.03664	6.7
122.07288	5.8
123.06793	1.2
129.53493	0.7
137.02475	6.9
137.05989	17.5
137.07043	1.6
137.08038	0.8
137.09627	17.1
137.10699	1.0
137.13249	9.5
138.01762	1.0
138.05495	1.0
138.09114	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.1
55.01863	1.1
55.05526	5.7
57.07080	11.4
65.03938	2.2
66.56235	0.7
67.05510	31.5
67.55359	0.7
69.07077	7.1
71.56296	1.3
79.05501	7.1
81.03432	3.8
81.07064	53.5
82.07389	1.3
91.05498	4.9
93.07048	9.0
94.04198	4.5
95.04980	1.4
95.08615	100.0
96.08961	1.7
98.82613	0.7
103.09051	0.7
107.04965	1.6
107.08588	0.9
108.53827	0.7
109.02892	1.6
109.06524	2.7
109.10181	10.1
119.04988	1.0
119.08572	1.1
121.48321	0.6
122.03689	6.0
122.07267	4.8
137.02385	7.5
137.03484	2.7
137.05991	10.4
137.09619	6.6
137.13272	10.0
138.09137	1.1
144.40100	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1326
Annotation	(R)-(-)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03943	3.1
55.01863	1.1
55.05526	5.7
57.07080	11.4
65.03938	2.2
66.56235	0.7
67.05510	31.5
67.55359	0.7
69.07077	7.1
71.56296	1.3
79.05501	7.1
81.03432	3.8
81.07064	53.5
82.07389	1.3
91.05498	4.9
93.07048	9.0
94.04198	4.5
95.04980	1.4
95.08615	100.0
96.08961	1.7
98.82613	0.7
103.09051	0.7
107.04965	1.6
107.08588	0.9
108.53827	0.7
109.02892	1.6
109.06524	2.7
109.10181	10.1
119.04988	1.0
119.08572	1.1
121.48321	0.6
122.03689	6.0
122.07267	4.8
137.02385	7.5
137.03484	2.7
137.05991	10.4
137.09619	6.6
137.13272	10.0
138.09137	1.1
144.40100	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1325
Annotation	(R)-(-)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03931	2.5
53.84296	0.8
54.28672	0.9
55.05511	6.0
57.07075	13.3
65.03925	1.4
67.05505	31.1
69.07072	6.1
69.82269	4.8
79.05128	1.1
79.05499	12.0
81.03403	3.7
81.07059	72.3
91.05476	8.2
93.07052	10.4
94.04200	10.9
95.04970	2.2
95.08610	100.0
96.04558	1.0
96.08926	1.0
98.20756	2.0
107.04938	1.5
107.08569	1.4
109.02877	1.0
109.06511	3.3
109.09406	1.4
109.10154	12.6
119.04865	1.1
119.08551	1.6
122.03661	13.4
122.07292	5.7
130.58121	0.9
137.02379	7.6
137.03477	2.8
137.05980	25.5
137.07040	1.2
137.09604	9.4
137.13254	12.4
138.05518	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1325
Annotation	(R)-(-)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03942	4.2
55.01869	2.0
55.05518	9.0
57.07080	14.1
65.03938	3.5
66.04726	2.2
67.05509	49.7
67.05869	2.6
69.03437	2.7
69.07072	7.8
71.17993	2.2
78.88226	1.1
79.05497	14.7
81.03421	4.4
81.07062	84.6
84.04547	1.1
91.05486	13.7
93.07053	13.2
94.04195	19.2
95.04974	6.9
95.08614	100.0
96.08922	2.0
107.04984	5.5
107.05595	1.4
107.08578	2.2
109.02923	1.2
109.06532	6.7
109.09407	1.0
109.10159	21.4
117.07041	1.2
118.30036	1.2
119.04932	2.1
119.08582	6.7
120.04453	1.2
121.06491	2.3
122.03656	24.0
122.07287	25.7
127.03905	1.5
129.93333	1.1
137.02371	6.4
137.03485	3.9
137.05002	2.1
137.05989	35.7
137.09631	32.8
137.10709	2.3
137.13268	11.5
138.01718	1.3
138.05467	2.3
138.09149	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1326
Annotation	(R)-(-)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03946	2.1
55.01889	0.8
55.05516	6.2
57.07083	10.7
65.03943	1.4
66.04726	0.7
67.05511	35.1
69.07075	6.1
70.12303	3.8
71.78225	0.9
76.09227	0.9
79.05496	10.3
81.03443	2.1
81.07066	59.3
82.07357	1.4
91.05494	11.5
93.07056	11.8
94.04197	3.9
94.54917	0.9
95.04981	4.8
95.08616	100.0
96.08940	2.3
107.04941	1.1
107.08615	2.1
109.02886	1.2
109.06545	5.7
109.10163	14.1
110.06051	1.8
119.04955	2.9
119.08588	2.2
122.03686	4.2
122.07306	4.6
123.06754	1.1
137.02493	10.6
137.03468	1.9
137.05968	10.4
137.09621	10.5
137.13258	13.4
138.01788	1.2
138.05518	2.2
138.09158	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	137.0962
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
50.36937	1.3
50.64981	1.2
53.03947	15.0
55.01877	15.7
55.05518	10.0
57.03416	2.0
57.07080	9.9
65.03931	4.8
66.04725	4.1
67.05509	74.8
67.05872	3.6
68.99780	2.7
69.03431	3.5
69.07063	6.2
71.01348	4.0
71.55886	1.8
71.99446	1.3
77.03929	2.3
79.05494	18.5
81.03424	59.9
81.07060	60.7
91.05490	38.6
92.05791	1.7
93.07056	24.1
94.04195	36.8
95.04969	19.9
95.08612	94.6
96.04510	1.5
104.06264	1.8
105.04545	2.2
105.07061	1.6
107.01295	8.2
107.04946	13.6
107.08613	4.5
108.05738	3.3
109.02866	10.9
109.06533	18.9
109.09360	2.5
109.10161	47.9
110.06081	2.1
117.07034	1.4
119.04956	6.8
119.08589	15.2
121.06509	7.4
122.03658	59.3
122.07296	57.4
123.04070	1.6
127.03936	17.6
137.02364	100.0
137.03476	48.2
137.05980	86.1
137.07065	3.0
137.09625	88.2
137.13243	10.3
138.01765	1.7
138.05453	2.9
138.09079	2.0
138.09998	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	137.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.3
55.01868	11.3
55.05520	18.0
57.03421	2.1
57.07077	3.1
65.03939	8.2
66.04733	4.7
67.05512	100.0
69.03436	3.0
69.07068	12.1
69.83884	1.9
71.26991	3.8
79.05499	26.7
80.81362	1.8
81.03427	15.6
81.07066	65.0
91.05491	44.6
93.07044	20.8
94.04195	40.3
95.04446	3.6
95.04984	39.6
95.08617	67.5
98.53839	2.1
107.01302	2.2
107.04964	15.2
107.08594	9.8
109.02891	4.1
109.06530	20.4
109.10171	48.6
110.06027	1.9
110.10512	1.9
110.29395	2.1
117.07008	5.9
119.04974	4.2
119.06079	2.1
119.08588	27.3
121.06549	4.4
122.03658	60.3
122.07296	51.1
127.03927	3.4
137.02394	28.5
137.03500	8.7
137.05988	90.5
137.09633	86.6
137.13271	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	137.0962
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03939	8.4
55.01869	9.7
55.05515	14.0
55.72363	3.1
57.07075	3.7
65.03935	11.3
67.05177	6.1
67.05512	100.0
69.03431	7.0
69.07065	7.9
79.05497	21.8
80.19920	2.5
81.03404	7.8
81.07063	53.0
90.28561	2.9
91.05480	50.2
92.67001	2.7
93.07042	23.5
94.04190	32.2
95.04972	29.7
95.08613	66.6
104.06271	3.4
105.04521	3.5
107.04941	19.4
107.08617	4.1
109.02938	3.3
109.06519	21.1
109.10163	53.7
117.07054	4.9
119.04952	5.3
119.08596	31.6
121.06509	7.2
122.03676	31.4
122.07296	74.7
122.08168	4.4
122.61101	2.8
123.06774	3.3
137.02510	16.6
137.03400	4.4
137.05994	62.0
137.09627	99.4
138.05530	3.9
138.09109	7.1
142.56258	3.3
155.42340	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	137.0962
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
52.02604	1.3
52.64905	1.3
53.03941	6.5
55.01865	5.0
55.05511	8.9
57.07064	5.4
65.03930	5.6
66.04715	4.6
66.85756	1.6
67.05505	74.7
68.05856	1.6
69.03408	4.4
69.07068	7.9
70.67805	4.6
79.05506	16.8
81.03410	15.0
81.07059	60.0
91.05482	33.8
93.07037	16.6
94.04188	30.7
94.07352	2.4
95.04978	15.1
95.08609	71.9
105.04499	1.8
107.01311	1.7
107.04947	9.9
107.08597	4.7
108.05720	2.0
109.02888	5.6
109.06520	15.3
109.09371	2.2
109.10153	38.7
110.06097	1.6
117.07050	2.7
119.04955	3.7
119.06127	1.6
119.08586	13.2
121.06501	10.2
122.03650	41.9
122.07287	60.9
123.08046	3.1
127.03915	4.5
127.07613	1.7
137.02376	22.3
137.03482	10.1
137.05980	71.4
137.09621	100.0
137.13182	7.2
138.05476	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	137.0234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.2
53.03952	12.9
54.03498	0.6
55.01878	12.7
55.05498	1.4
57.07059	0.7
65.03937	1.4
66.04726	1.5
67.05511	9.0
68.61221	0.6
68.99806	3.3
69.03436	0.7
69.07058	1.4
70.01453	2.8
71.01349	6.0
79.05503	3.5
81.03422	61.5
81.07056	9.3
91.05491	10.3
92.05018	0.6
93.07052	5.0
94.04204	6.4
95.04974	4.5
95.08053	0.9
95.08615	10.9
107.01326	9.9
107.04958	1.7
107.08569	0.8
108.04387	0.8
109.02892	10.8
109.06554	3.7
109.10149	4.0
113.02399	0.8
119.04911	2.0
119.08611	1.8
122.03662	7.7
122.07309	4.8
127.03925	21.2
137.02345	100.0
137.03459	60.1
137.05939	16.0
137.07939	1.2
137.09608	9.8
138.02721	1.2
138.03806	1.0
138.05469	1.2
138.09123	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03946	1.4
65.03929	2.0
66.04720	7.5
69.49294	4.9
69.49704	1.8
79.05496	4.8
81.07077	1.9
91.05485	3.4
94.04195	49.2
98.20780	1.5
107.04937	1.9
109.06495	1.1
119.45189	0.8
122.03661	75.7
123.03992	1.2
131.29730	1.0
137.05991	100.0
138.06331	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02396	1.1
53.03948	1.5
55.01879	0.8
65.03947	2.1
66.04728	7.7
67.05511	2.0
69.03452	0.6
77.03957	0.5
79.05499	4.9
81.03414	0.8
81.07055	3.0
85.41446	0.5
91.05492	5.3
93.07061	1.5
94.04194	48.1
95.04454	0.6
95.04970	2.0
95.08624	1.7
98.21456	1.0
107.05001	2.3
109.06538	2.2
109.10129	0.6
122.03657	68.8
123.03977	1.4
137.02573	2.9
137.05983	100.0
137.09578	1.6
138.05408	0.9
138.06345	2.4
149.52426	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.062
Annotation	Adenine
Peak:m/z	Relative Intensity
50.65463	0.3
53.57766	0.3
56.96555	0.9
71.00578	0.5
71.00886	0.3
81.98917	0.3
82.03998	0.3
91.05452	0.6
92.02520	0.8
94.04064	4.6
109.05135	0.9
112.05100	0.5
112.89368	0.3
119.03564	12.6
119.04420	0.7
136.02203	3.4
136.06201	100.0
137.04604	6.6
137.06543	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0759
Annotation	N-Benzylformamide
Peak:m/z	Relative Intensity
51.02372	2.2
51.02587	0.7
53.03951	19.2
54.04288	0.7
55.01865	2.9
55.05501	1.3
56.96542	0.9
65.03944	25.6
65.19339	0.7
65.81999	0.9
66.03465	1.2
66.04303	0.7
66.04718	1.1
67.01874	4.7
67.05511	10.1
68.05032	0.9
69.03417	2.4
70.02942	1.3
70.19781	0.9
70.20123	2.8
77.03943	2.9
78.04723	1.7
79.05496	4.9
80.05032	7.8
80.05818	3.2
81.03422	5.8
81.06722	0.7
81.07079	7.7
82.07390	1.1
83.04988	1.0
89.03933	1.0
90.04251	1.0
91.05486	55.5
92.05819	5.3
93.05791	11.4
93.07045	23.2
94.04170	5.4
94.06560	2.5
94.07401	5.0
95.04974	30.2
95.05968	1.0
95.08610	2.4
96.04496	1.1
96.05304	1.0
105.04530	7.8
106.06557	0.9
106.07359	2.8
107.04976	2.1
107.08597	2.4
108.04522	11.5
108.05289	2.6
108.08122	13.9
108.08929	6.0
109.01116	10.8
109.02905	1.3
109.06533	3.0
109.07669	1.0
109.10161	3.3
110.06062	0.8
113.17637	0.6
116.05775	1.0
117.05772	0.9
118.06538	3.9
118.07323	1.5
119.03560	6.1
119.04954	3.2
120.08937	0.9
121.08871	1.1
122.03680	6.4
122.07288	1.8
126.05524	34.1
127.05820	0.9
129.82373	0.7
136.02174	100.0
136.03928	4.2
136.05223	3.1
136.06195	71.4
136.07578	65.5
136.08383	3.4
136.11197	3.0
136.12111	1.1
137.02469	6.3
137.03505	2.4
137.04588	6.8
137.05989	12.2
137.07951	1.9
137.09608	5.0
147.04498	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03944	9.4
55.01868	4.4
55.05514	10.3
57.07053	1.4
61.32088	1.4
62.66286	1.2
65.03940	4.1
65.29321	1.2
67.05167	2.4
67.05509	34.1
69.07067	6.5
71.56242	1.6
72.18857	1.5
73.50790	1.3
77.03922	1.6
79.05496	74.6
81.03432	1.6
81.07065	25.1
88.27388	1.2
89.03928	1.8
91.05483	42.4
93.07051	100.0
95.04977	10.5
105.04499	2.8
105.07039	13.7
107.04939	10.3
107.08604	69.8
108.08942	2.4
109.01125	4.0
109.06528	4.3
115.05441	6.5
117.07059	6.6
119.06094	2.4
119.08601	4.7
133.10132	2.4
135.04460	8.8
135.05408	2.1
135.06532	1.8
135.08072	24.1
135.10677	2.8
135.11702	58.0
136.02179	43.2
136.03804	1.9
136.06203	9.2
136.07571	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	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03951	7.4
55.05517	8.1
56.32648	1.4
57.07095	1.4
65.03930	2.5
67.05498	3.9
69.07055	3.2
70.07903	1.2
71.41265	2.4
72.88483	1.4
74.57526	1.2
77.03897	1.3
79.05496	24.2
80.05851	1.4
81.07038	3.5
89.03907	4.0
91.05488	59.1
93.06467	2.5
93.07049	46.5
95.04969	7.1
98.60021	1.2
105.04507	2.5
105.06390	1.9
105.07040	25.5
107.04942	4.5
107.08604	100.0
108.08897	1.4
109.06550	7.1
109.07169	1.2
115.05504	1.8
117.03393	1.5
117.07033	4.2
119.06056	4.1
119.07784	2.1
119.08590	23.8
119.99242	1.3
120.09370	8.4
133.10161	1.8
135.04407	4.3
135.08058	4.8
135.11705	38.5
136.02213	7.2
136.06207	1.5
136.12090	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64631	1.3
53.03952	7.1
55.05515	8.7
57.07085	1.8
65.03923	4.3
67.05498	5.0
69.07071	4.1
70.81683	4.1
79.05498	26.9
81.03419	1.6
81.07057	4.4
82.48782	1.3
91.05487	59.3
91.59328	1.2
93.07049	59.7
95.04977	10.3
95.08619	1.5
104.06278	1.7
105.04514	3.3
105.07029	24.1
107.04961	3.2
107.08599	100.0
108.08920	2.2
109.06526	6.8
115.05527	1.9
117.07036	5.7
118.96922	1.2
119.06074	4.0
119.08591	17.0
120.09364	5.4
126.33176	1.4
133.10092	2.0
135.04433	2.7
135.08067	5.5
135.10687	1.7
135.11703	35.2
136.02174	5.3
136.06204	2.4
139.18417	1.4
140.99355	1.5
150.21521	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03957	4.4
55.05514	10.2
57.07087	1.2
63.74818	0.8
65.03943	3.6
67.05499	3.3
67.80826	0.8
69.07064	3.2
69.39720	3.1
69.40138	3.5
70.65049	0.7
77.03939	1.1
78.04700	0.8
79.05493	23.8
81.03409	1.4
81.07065	3.3
91.05485	40.9
93.07043	50.3
95.04972	7.8
95.08650	1.0
96.23891	0.8
105.04537	2.1
105.06381	1.4
105.07037	18.5
107.04952	1.2
107.08597	100.0
108.08936	1.8
109.06512	7.6
115.05481	0.8
115.71751	0.7
117.07000	1.4
119.06063	3.0
119.08584	9.7
120.09364	3.2
133.10091	0.9
135.04404	1.4
135.08057	1.3
135.11694	18.6
136.02164	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.5
55.05522	8.9
65.03937	2.1
67.05507	3.0
69.07071	3.7
69.44960	11.9
79.05501	22.8
81.07046	3.1
91.05493	40.0
93.07056	36.9
95.04963	6.1
97.39237	1.7
105.04580	2.4
105.07031	19.5
107.04938	1.9
107.08604	100.0
108.08953	2.3
109.06511	5.7
117.07039	2.2
119.06109	3.4
119.08588	8.4
120.09398	3.2
127.82819	1.7
135.08066	1.8
135.11719	17.7
136.02156	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03948	5.5
55.01858	1.7
55.05521	10.2
55.56464	1.2
57.07058	1.6
60.31685	1.2
65.03926	3.3
67.05496	4.5
69.03446	1.1
69.07070	3.5
70.82478	3.0
72.16029	1.1
79.05495	31.4
81.07056	5.7
89.50554	1.2
91.05486	55.6
92.05820	1.4
93.07051	60.7
94.07837	1.5
95.04985	9.6
95.08659	1.2
96.05299	1.2
103.05517	1.5
105.04534	2.7
105.07038	26.8
107.04982	7.0
107.08600	100.0
108.08937	2.2
109.06513	7.2
115.05441	3.4
117.07034	2.9
119.06068	4.2
119.08594	12.9
120.09434	5.6
133.10141	1.5
135.04428	9.8
135.08069	9.4
135.10698	1.7
135.11700	30.9
136.02179	16.2
136.07536	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02385	1.3
53.03951	10.3
55.01871	2.2
55.05291	1.2
55.05516	12.4
63.02362	3.5
65.03936	3.0
67.05520	5.5
69.07064	4.0
71.56239	1.3
77.03942	1.9
79.05499	41.5
81.07063	6.1
82.96564	1.0
89.03927	72.5
90.04292	1.1
91.05488	55.3
92.06274	2.3
93.07050	57.8
95.04970	11.2
105.04530	4.6
105.06376	1.9
105.07043	24.5
107.04966	17.1
107.08604	100.0
108.08936	2.5
109.01093	1.5
109.05971	0.9
109.06547	8.7
115.05443	2.6
117.02641	0.8
117.03382	23.8
117.07037	4.3
119.06076	3.6
119.08593	12.4
120.09366	3.9
135.04431	46.9
135.08047	9.1
135.11702	27.0
136.02173	20.8
136.06195	2.3
136.07625	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.77650	1.2
53.03943	6.0
55.01870	2.2
55.05517	9.2
57.21881	1.3
65.03947	4.1
67.05489	5.3
67.49536	1.4
68.45721	1.2
69.07056	1.9
69.78259	8.4
73.43235	1.2
79.05500	24.7
81.07063	4.6
91.05492	43.1
93.07054	48.6
95.04960	8.0
95.73251	1.3
103.05519	1.4
105.04562	2.4
105.07042	24.6
107.04981	4.0
107.08602	100.0
109.06541	9.6
117.07072	2.4
119.06104	3.5
119.08587	10.1
120.09361	3.2
133.10126	3.3
135.04424	2.7
135.08092	3.9
135.11703	24.5
136.02187	12.9
136.06226	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.08840	1.0
53.03948	7.7
55.01864	4.0
55.05509	10.4
61.67248	0.8
65.03932	6.0
67.05170	1.7
67.05507	24.7
69.07076	5.7
71.37040	1.2
77.03920	1.8
78.01441	0.9
79.05498	70.3
81.03407	1.5
81.07061	22.1
86.16709	0.9
89.03924	1.3
91.05486	54.2
92.05758	1.3
92.06274	1.6
93.07048	74.6
95.04960	9.1
105.04511	3.4
105.07039	21.2
107.04973	8.5
107.08601	100.0
108.08909	1.7
109.01081	1.7
109.06511	9.8
114.33138	1.0
114.72087	1.0
115.05483	1.3
117.07051	1.7
119.06081	3.7
119.08624	0.9
133.10129	1.3
135.04419	7.8
135.05475	1.9
135.08066	16.3
135.09085	1.4
135.10670	2.0
135.11697	40.2
136.02165	29.2
136.03806	1.5
136.05228	1.6
136.06197	9.5
136.07564	2.2
141.59151	1.0
152.68779	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03953	9.6
55.01866	2.6
55.05502	5.7
57.07081	1.8
62.85617	1.4
65.03932	3.2
67.05506	7.3
69.07067	2.7
69.45730	8.0
76.51070	1.2
77.03877	1.3
79.05495	29.4
80.61014	1.1
81.07062	3.3
88.74324	1.4
91.05485	65.3
93.07048	54.4
95.04975	10.8
101.24235	1.3
103.05447	2.2
105.04552	3.3
105.06383	2.3
105.07038	28.6
107.04962	13.4
107.08599	100.0
109.01107	3.8
109.06512	9.6
115.05423	2.5
117.07024	3.7
118.06533	1.6
119.06052	4.7
119.08588	19.9
120.09360	5.6
124.05241	1.4
133.10152	1.7
135.04430	10.0
135.05455	2.8
135.06529	1.8
135.08083	12.7
135.09041	2.6
135.11699	32.4
136.02173	48.9
136.06177	14.4
136.07121	1.7
136.07597	1.6
138.88039	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0442
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
51.02382	0.5
53.03955	5.0
55.01878	0.8
55.70076	0.3
60.38645	0.3
65.03930	0.5
67.05492	0.3
69.03452	0.3
70.75301	0.2
70.87682	0.7
73.43107	0.3
77.03939	1.3
79.05499	38.1
80.05827	0.5
80.77850	0.3
80.78313	0.3
81.03369	0.3
89.03922	2.2
91.05491	4.8
93.07041	2.0
95.04974	6.4
105.03387	0.8
105.04517	2.1
105.07049	0.8
107.04964	12.5
107.08602	2.8
109.01047	0.3
109.06556	0.4
112.70650	0.3
115.05463	0.8
117.03385	0.6
117.07053	0.6
119.08555	0.4
120.09490	0.3
133.02870	4.8
134.90277	0.3
135.04425	100.0
135.07971	2.3
135.11710	0.8
136.02165	2.7
136.04758	2.3
136.06203	1.3
136.07608	0.5
145.44157	0.3
146.79753	0.3
153.05507	0.3
153.40657	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0807
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03933	6.5
55.01878	14.3
55.05508	2.6
65.03951	12.2
67.05513	11.5
69.03433	13.3
71.12228	3.8
71.38046	1.6
75.76926	1.4
79.05502	57.4
79.45273	1.5
81.07048	3.2
89.03929	2.8
91.05491	100.0
92.05810	2.0
93.07058	19.5
95.04990	14.0
105.04514	3.4
105.07039	34.8
106.07349	1.6
107.04968	15.9
107.08604	66.7
109.01116	4.5
109.06520	14.9
115.05469	31.8
116.06319	2.0
117.07033	19.7
119.06068	6.8
119.08607	5.7
120.05717	1.9
120.09324	1.5
135.04420	13.8
135.05527	3.7
135.06538	2.6
135.08070	53.0
135.11731	9.9
136.02177	55.7
136.05292	2.0
136.06203	11.4
136.07582	2.7
141.00832	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
53.28656	0.5
55.05505	2.0
57.16388	0.4
57.53834	0.4
71.45406	0.7
79.05491	6.5
91.05486	19.1
93.07041	7.4
95.04945	1.6
98.15143	0.4
103.05485	3.7
105.07036	53.3
106.07349	1.2
107.08624	1.0
115.05450	6.6
116.06226	1.5
117.07024	6.6
118.07810	7.0
124.49413	0.5
129.06989	0.5
131.08569	6.6
133.06497	1.7
133.10138	100.0
134.10466	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	135.0442
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
51.02363	0.7
53.03952	6.3
55.01859	1.6
55.05502	2.4
61.58559	0.6
63.02386	4.2
65.03949	1.2
67.05508	2.4
69.07082	1.2
69.43597	0.6
71.05537	1.3
73.67168	0.6
73.74749	0.6
77.03925	1.2
78.89928	0.6
79.05495	30.7
80.60117	0.6
81.03437	0.7
81.07059	3.8
89.03921	100.0
90.04266	1.3
91.04959	1.1
91.05484	13.4
93.07043	16.9
95.04969	9.6
105.04529	3.2
105.07039	4.1
107.04963	15.5
107.05698	0.8
107.07866	1.2
107.08599	18.0
109.01071	0.8
109.06506	1.6
115.05461	1.6
117.03386	34.8
117.07065	1.3
118.03701	0.9
119.08579	2.9
120.09428	0.8
135.04424	60.7
135.08043	6.9
135.11700	8.6
136.02164	9.1
136.04832	1.1
136.06187	1.9
136.07542	0.9
145.03947	1.1
149.76733	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03942	2.2
55.05505	3.5
67.05502	1.1
70.96658	1.2
70.96989	0.7
73.23202	0.6
76.57367	0.6
77.03938	0.7
79.05050	1.0
79.05492	10.7
91.05484	32.5
92.05812	0.7
93.07046	7.0
95.04980	2.4
103.05464	5.8
104.06268	0.7
105.07032	80.7
106.07365	2.2
107.08585	1.5
113.66651	0.6
115.05447	8.1
116.06221	2.0
117.07021	11.0
118.07805	10.5
120.29581	0.6
129.07001	1.4
131.08566	9.3
133.06516	6.6
133.10133	100.0
134.10486	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03939	1.4
55.05510	2.8
58.68812	0.6
63.49002	0.6
65.03944	0.9
67.05495	0.7
71.56864	0.9
76.91140	0.6
79.05495	9.8
91.05486	30.0
93.07051	8.0
95.04983	2.2
103.05475	6.5
105.03403	0.8
105.07037	83.0
106.07379	2.0
107.08619	1.4
115.05483	8.2
116.06239	2.2
117.07025	9.2
118.07816	9.3
129.07080	0.6
131.08580	9.5
131.92934	0.6
133.02879	0.9
133.06540	4.3
133.10138	100.0
134.10484	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	133.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.05517	3.7
65.03935	0.8
67.05503	1.2
69.48970	2.3
69.49381	0.8
69.96699	0.4
79.05503	9.2
82.63148	0.4
91.05486	27.0
93.07044	5.7
95.04984	1.7
103.05494	4.3
105.07040	70.4
106.07372	1.2
107.08585	2.1
115.05464	9.2
116.06238	1.4
117.07025	10.4
118.07813	10.5
129.07002	0.5
131.08580	8.7
133.06512	1.3
133.10141	100.0
134.10509	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03947	1.9
55.05515	3.0
65.03925	0.9
67.05501	1.4
71.56822	1.4
79.05498	11.3
91.05488	33.9
92.05801	1.0
93.07060	6.0
95.04977	2.3
103.05478	5.7
105.03394	1.1
105.07039	100.0
106.07364	2.1
107.08607	1.2
115.05454	7.5
115.46653	0.7
116.06259	1.4
117.07037	8.3
118.07819	9.4
129.07066	1.1
131.08577	10.9
133.02856	1.3
133.06534	3.8
133.10143	78.6
134.06000	0.8
134.10458	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	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.05505	3.5
59.37129	0.7
64.08659	0.8
71.16058	1.0
77.03901	0.9
79.05500	8.6
91.05484	27.6
93.07050	6.4
95.04969	2.4
96.46314	0.8
103.05489	5.3
105.04499	1.1
105.07034	69.7
107.08562	1.3
115.05470	8.0
115.06212	1.3
116.06236	2.2
117.07019	10.8
118.07810	11.2
131.08583	10.0
133.10136	100.0
134.10460	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03946	2.0
53.81710	0.6
54.21361	0.6
55.05511	4.0
65.03917	0.8
67.05494	0.9
68.10511	0.6
70.12362	1.4
70.12772	1.8
77.03943	0.8
79.05495	9.2
87.40581	0.6
91.05489	31.1
93.07055	5.5
95.04993	1.6
98.20856	0.8
103.05486	6.7
105.07040	84.6
106.07347	1.6
107.08633	1.1
107.50307	0.6
109.06470	0.8
115.05448	7.2
116.06243	1.9
117.07009	10.4
118.07807	9.7
129.07040	1.1
131.08585	9.6
133.10143	100.0
134.10498	2.3
136.56236	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33700	0.7
53.03946	2.4
55.05519	4.3
61.62325	0.7
67.05506	0.8
69.99735	1.5
70.00122	2.1
79.05503	8.3
91.05489	28.3
93.07044	5.8
95.04969	2.0
99.49318	0.7
103.05479	5.1
105.07040	73.8
107.08598	1.4
115.05463	8.4
116.06242	1.8
117.07024	9.3
118.07809	9.1
131.08580	10.4
133.06509	2.1
133.10141	100.0
134.10458	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03942	1.2
55.05503	1.8
64.74258	0.9
65.40906	0.9
69.47118	1.0
70.31974	4.1
79.05492	9.3
91.05491	24.1
93.07056	6.8
95.04987	2.3
98.20855	1.2
103.05460	4.3
105.07043	56.3
115.05461	7.0
116.06310	1.1
117.07017	12.1
118.07814	11.2
118.70898	1.2
131.08568	8.6
133.10144	100.0
134.10472	3.3
137.66643	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03945	2.2
53.17090	0.5
55.05500	2.8
56.79815	0.5
65.03934	0.7
67.05510	1.2
71.56901	0.7
79.05499	12.2
87.48951	0.5
87.91410	0.5
91.05486	33.0
92.05811	0.7
93.07050	7.4
95.04984	2.3
103.05473	6.2
105.07037	100.0
106.07376	1.8
107.08603	1.7
115.05462	9.0
116.06239	1.5
117.07025	10.4
118.07816	12.5
129.06989	1.0
131.08578	12.3
133.02867	1.0
133.06505	4.6
133.07591	2.5
133.10138	69.1
134.06036	0.7
134.10463	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.5
51.64391	0.4
52.00515	0.4
53.03956	2.1
55.05514	4.0
58.00205	0.5
60.68927	0.4
65.03942	0.9
67.05515	0.7
70.95724	1.0
77.03922	0.9
79.05061	0.7
79.05498	9.7
86.92902	0.5
91.05487	32.0
92.05798	0.7
92.06303	0.7
93.07051	7.0
94.70789	0.4
95.04945	2.6
103.05479	5.1
105.07038	80.1
106.07385	1.7
107.08628	2.1
111.80383	0.4
113.91895	0.5
115.05461	7.8
116.06242	1.7
117.07028	9.5
118.07809	10.1
129.06943	0.5
131.08582	8.6
133.06540	3.4
133.10139	100.0
134.10461	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03947	2.0
55.01878	1.3
55.05511	4.7
58.53688	0.6
65.03929	1.6
67.05501	1.0
69.54586	3.7
78.24695	0.6
79.05502	9.8
91.05488	31.6
93.07041	6.8
95.04972	2.3
98.20808	0.8
103.05483	4.7
105.07040	90.8
106.07353	1.6
107.08659	1.4
115.05480	9.6
116.06278	1.4
117.07028	10.8
118.07825	9.5
129.06999	0.8
131.08592	8.5
133.06502	8.7
133.10141	100.0
134.10504	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	133.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76152	3.4
51.44964	3.3
53.03946	3.3
55.01877	10.7
55.17353	3.1
55.38757	3.3
56.96574	100.0
57.03432	6.5
58.99580	3.2
61.01142	6.6
66.29388	3.2
66.52972	3.6
69.03436	4.6
69.30756	11.0
69.31180	19.7
70.07401	4.7
70.98138	4.1
71.01362	4.1
71.04993	16.6
79.05530	3.6
82.01458	6.0
82.07719	3.0
84.46062	3.3
85.02907	4.7
85.56189	3.3
87.02701	10.7
87.10049	13.8
89.00777	3.3
91.02407	3.0
95.01323	4.3
97.99205	7.8
98.01283	3.7
98.20921	13.6
98.97588	11.2
99.04461	20.9
100.02485	19.3
100.52445	4.6
101.00882	11.2
103.02409	4.2
105.07036	7.1
110.01288	9.5
114.04043	7.4
115.01155	4.2
116.98618	7.6
118.03516	8.5
119.01922	73.0
120.02026	5.0
121.01707	4.1
127.03953	9.5
132.05083	4.0
132.90536	4.0
133.03484	13.5
133.06566	4.3
133.07562	3.8
134.06035	6.7
137.03046	15.3
142.03534	11.2
151.04555	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	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86586	0.4
53.03953	1.1
57.84750	0.4
65.03945	1.4
69.03426	0.5
69.71902	1.9
69.72318	1.0
70.03769	0.7
85.04839	1.6
85.08477	2.4
86.09703	0.6
90.90392	0.7
91.05487	100.0
92.05833	2.2
98.20746	0.8
99.43103	0.5
100.02788	0.4
103.05479	4.5
105.07042	0.8
113.07961	1.7
115.05467	7.9
116.06252	24.4
117.06589	0.6
128.06224	2.0
129.07014	15.3
130.07387	0.9
131.04944	1.6
131.08574	87.6
132.08032	0.8
132.08916	1.8
133.06493	0.7
143.06049	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1022
Annotation	Isoleucine
Peak:m/z	Relative Intensity
51.55308	0.8
55.01885	1.1
56.96577	8.9
57.03447	1.0
59.40533	0.7
67.05519	0.7
69.03432	0.8
69.07076	2.0
69.96166	0.8
70.51150	1.8
82.01463	1.0
85.25188	0.8
86.09715	100.0
87.10047	1.4
90.90416	0.9
96.50566	1.2
98.21347	1.3
98.97588	2.9
100.02490	2.8
105.07061	0.9
116.98668	1.8
118.01054	0.7
118.03473	0.9
119.01926	2.5
123.35993	0.9
131.96185	1.1
132.05162	1.0
132.10153	1.1
149.97289	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.3
57.44502	0.6
58.39035	0.5
65.03947	1.3
65.14909	0.6
69.03431	1.2
70.03764	1.2
71.36797	0.8
84.04517	0.7
84.08119	0.7
85.04841	2.3
85.08478	3.2
86.09736	0.9
90.90358	0.8
91.05486	100.0
92.05839	1.6
98.20853	0.6
103.05475	6.4
105.07014	1.2
109.06505	0.6
113.07932	4.2
115.05453	7.5
116.06252	26.3
117.06597	1.2
128.06215	1.6
129.07008	16.2
130.07274	0.7
131.04915	1.4
131.08571	82.5
132.08060	0.9
132.08945	2.3
133.06519	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.8
53.93307	0.5
57.97698	0.5
65.03949	1.2
69.03443	0.6
84.04507	0.6
85.04221	0.6
85.04842	1.6
85.08501	2.2
86.09646	0.6
91.05489	100.0
92.05820	1.6
98.21553	1.2
103.05479	4.8
104.28662	0.5
105.07089	1.0
111.46404	0.5
112.95408	0.5
113.07964	2.5
115.05463	7.4
116.06252	26.6
117.06580	0.7
128.06270	2.0
129.07016	14.6
130.07372	1.1
131.08577	94.1
132.08037	0.8
132.08881	2.8
133.06516	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01422	0.5
53.03950	1.2
54.76429	0.4
57.07080	0.7
65.03947	1.4
69.03436	0.6
70.03776	0.8
71.29497	0.8
83.26650	0.5
84.08144	1.3
85.04865	2.5
85.08479	3.2
86.09724	1.0
91.05491	100.0
92.05799	1.3
96.07156	0.5
103.05480	4.9
105.07060	1.0
113.07973	3.0
115.05463	7.0
116.06259	24.1
117.06569	0.7
124.24586	0.5
124.33589	0.5
128.06238	1.6
129.07019	13.8
131.04956	1.6
131.08580	82.9
131.16234	0.6
132.08043	0.6
132.08929	2.3
133.06483	0.8
146.28693	0.5
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	Unknow
Peak:m/z	Relative Intensity
56.05026	3.1
57.07081	62.2
61.03491	1.0
67.05488	2.2
68.05038	1.2
69.03436	47.4
69.07061	5.5
70.07441	1.0
71.04984	1.1
71.28147	1.0
71.47861	1.8
72.08170	1.9
74.09724	38.5
82.06587	2.4
84.04514	28.7
84.08147	36.8
84.08920	1.3
91.05479	2.1
101.19444	0.9
103.05470	11.8
104.72059	0.9
112.07614	100.0
113.07974	2.5
130.02173	1.6
130.04994	2.3
130.06555	15.9
130.07420	1.6
130.07607	1.4
130.08655	20.9
130.15929	78.7
131.04912	1.4
131.08586	2.4
131.16267	1.1
133.44540	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0391
Annotation	1,2,3-Trihydroxybenzene
Peak:m/z	Relative Intensity
51.02369	2.2
53.03710	3.4
53.03950	61.3
55.01874	10.3
57.03440	11.1
69.03432	18.2
70.89937	3.2
71.04592	1.8
71.04992	31.6
81.03419	100.0
83.01337	7.7
85.02901	6.7
97.02905	13.5
99.04457	24.1
105.97744	1.4
109.02240	1.5
109.02882	44.2
127.03920	62.5
128.03452	1.5
128.04362	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0647
Annotation	Quinoline
Peak:m/z	Relative Intensity
53.03946	1.1
55.05508	0.6
56.05031	3.6
57.07074	3.2
67.05510	1.3
69.03430	30.8
69.07071	3.2
69.39458	2.6
70.06599	0.5
71.04980	1.4
74.09705	1.9
77.03913	0.4
82.06586	1.7
84.04505	35.5
84.08144	40.3
85.08444	0.3
88.07621	0.3
89.16704	0.3
91.05473	2.6
94.06574	0.9
95.04948	1.9
103.05470	9.9
104.05762	0.3
105.04473	0.4
112.07606	70.3
113.07922	0.7
115.05446	1.2
116.06236	1.0
119.64558	0.3
128.04977	1.9
129.06482	4.1
130.04956	2.5
130.06526	100.0
130.07335	4.4
130.08604	16.5
130.15912	3.6
131.04965	0.4
131.06897	1.7
131.08577	2.1
146.05969	0.9
146.06914	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0393
Annotation	4-HYDROXY-6-METHYLPYRAN-2-ONE
Peak:m/z	Relative Intensity
52.41366	0.2
52.99986	0.2
53.03952	3.3
55.01879	1.0
55.92662	0.2
57.03437	0.3
58.55898	0.2
67.01857	0.5
68.99783	0.4
69.96291	0.2
71.01358	0.3
71.04981	0.6
71.05461	0.3
71.05813	0.3
81.03420	3.5
81.23376	0.2
83.01292	0.2
83.55884	0.2
94.05128	0.2
99.04443	0.4
109.02885	6.8
127.03925	100.0
128.04277	1.3
130.47057	0.2
133.78046	0.2
135.28096	0.2
139.29549	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40549	0.3
58.99849	0.4
69.64841	0.3
70.44292	1.0
82.99828	1.7
89.33404	0.3
98.21201	0.7
100.02486	0.9
101.00890	25.6
101.02554	1.7
102.02225	0.4
119.01931	100.0
120.02012	2.4
121.02314	0.6
124.02436	0.3
133.03482	1.0
137.02968	27.3
138.03050	0.7
142.03513	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	124.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38182	0.2
58.99854	0.4
68.54996	0.2
69.96716	0.2
70.77507	0.4
70.99844	0.5
73.47830	0.2
77.00917	0.4
82.01437	0.6
82.99841	2.1
83.01505	1.2
84.01192	0.3
89.00919	0.3
100.02499	1.9
101.00885	27.0
101.02555	5.4
102.00991	0.3
102.02236	0.9
118.03514	0.8
119.01926	100.0
120.01989	1.7
120.03272	0.5
121.02371	0.4
124.02425	0.8
124.03977	0.6
133.03516	1.0
135.37033	0.2
137.02962	28.0
138.03085	0.4
142.03514	5.3
143.03528	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0964
Annotation	2E,4Z-Octadienal
Peak:m/z	Relative Intensity
55.01871	1.5
55.05517	6.5
65.03925	1.5
69.03436	100.0
69.07069	1.6
69.42109	7.2
71.01323	0.7
73.66208	0.8
79.05500	6.5
80.04996	1.1
81.07060	4.6
83.04970	5.3
91.05467	3.9
95.08605	1.4
97.02898	10.4
97.06570	4.2
102.02245	3.9
105.07036	1.6
107.04980	1.2
107.08610	8.3
108.04440	1.6
120.02007	2.2
120.03271	2.5
125.02339	3.6
125.04283	1.5
125.05968	5.0
125.06957	1.3
125.08768	1.0
125.09640	17.9
126.05537	0.9
133.83575	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99862	0.2
71.26024	0.4
77.61477	0.2
82.99837	1.8
83.01507	0.5
84.14114	0.2
93.98050	0.2
100.02497	1.1
101.00889	22.7
101.02547	2.0
102.01009	0.4
102.02248	0.5
103.60163	0.2
108.29050	0.2
118.03509	0.6
119.01930	100.0
120.02010	1.7
121.02355	0.4
124.02461	0.3
133.03484	1.0
133.90909	0.2
137.02966	30.7
138.03088	0.9
142.03522	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	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42309	0.2
69.27802	1.5
69.28209	0.3
82.01469	0.3
82.99838	1.7
83.01529	0.6
98.20808	0.5
98.21500	0.4
100.02496	1.1
101.00890	24.4
101.02572	2.3
102.00980	0.2
102.02222	0.5
118.03526	0.5
119.01931	100.0
120.01993	1.8
121.02371	0.3
124.02486	0.5
133.03473	1.0
137.02968	31.0
138.03104	0.5
139.03445	0.3
142.03511	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	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.7
55.05516	4.5
57.07087	4.3
63.28209	0.6
65.03928	1.2
65.61369	0.4
66.04713	0.5
67.05505	16.9
68.05012	0.7
69.07073	2.4
70.74969	1.2
78.60448	0.6
79.05492	18.6
80.05022	11.6
81.07058	100.0
82.01453	1.6
82.07400	1.1
85.01586	0.5
87.32352	0.6
89.71592	0.6
91.05482	0.7
93.07044	2.9
94.07828	1.2
95.04968	12.8
95.05554	1.0
95.08609	15.4
96.04494	5.6
100.02483	11.0
105.04563	1.0
105.07041	1.1
106.02877	0.7
108.05762	0.9
112.03971	2.2
118.03522	6.6
119.01915	1.6
121.10168	1.3
123.04435	5.0
123.05561	24.9
123.06461	1.4
123.08051	9.0
123.11710	19.1
124.03972	4.8
124.12054	0.5
140.03455	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.7
55.05526	3.7
57.07081	3.0
63.39931	0.6
65.03946	1.6
67.05509	22.5
69.07072	2.2
70.08159	3.4
77.87679	0.6
78.03453	0.8
79.05492	15.2
79.82867	0.7
80.05024	25.5
81.07063	100.0
82.01424	0.8
82.07386	1.0
93.07065	2.0
95.04984	12.8
95.08617	11.2
96.04508	11.9
98.20820	1.0
100.02483	5.7
106.02967	1.1
106.89070	0.7
108.05733	1.4
112.03981	2.3
118.03532	5.2
119.01921	1.1
123.04490	4.0
123.05560	54.8
123.08079	6.6
123.09167	1.6
123.09985	1.0
123.11707	14.0
124.03963	12.8
124.05920	1.5
124.07614	1.0
140.03419	0.9
141.05089	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.6
55.01867	0.9
55.05516	6.3
57.07077	5.8
65.03954	1.7
66.04694	0.8
67.05512	28.4
69.03432	1.1
69.07078	3.8
70.85801	1.4
70.86143	1.0
73.48434	0.8
77.03940	1.2
78.03452	0.6
79.05497	19.2
80.05022	10.4
81.03421	1.1
81.07064	100.0
82.01458	2.5
82.07383	1.0
86.10183	0.6
86.41331	0.7
91.05518	1.3
93.06558	0.6
93.07047	4.1
94.07850	1.3
95.04977	32.9
95.06963	0.7
95.08616	28.2
96.04500	4.2
96.55075	0.8
100.02500	12.5
101.00929	0.6
103.05467	0.8
105.04542	2.0
105.07039	4.5
106.03006	0.7
107.04958	1.0
108.05745	9.2
112.03971	2.1
118.03542	8.1
119.01913	1.9
121.06530	1.0
121.10187	1.4
123.04456	10.8
123.05564	22.6
123.08076	32.0
123.11717	22.4
124.03966	5.6
124.08406	0.6
131.96661	0.7
137.02962	1.2
140.03348	1.0
141.05003	0.7
142.09259	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Santene
Peak:m/z	Relative Intensity
53.03947	2.4
55.01868	0.8
55.05514	4.7
57.07077	4.3
65.03931	1.9
67.05507	13.6
69.07075	2.5
71.56676	0.5
79.05492	16.4
80.05027	4.6
81.07059	100.0
82.01427	0.5
82.07409	1.4
93.07051	2.1
94.07801	1.0
95.04980	5.7
95.08611	14.9
96.04495	2.2
100.02488	1.8
105.07034	0.8
108.05724	0.6
108.09397	0.6
112.03976	0.6
118.03502	1.7
121.10134	1.2
123.04464	2.1
123.05560	11.2
123.08070	5.9
123.11712	22.6
124.03949	2.4
126.54825	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.0
55.01865	0.8
55.05517	4.7
57.07083	4.6
59.40961	0.6
65.03946	2.2
67.05509	18.1
69.07070	3.3
69.40562	3.4
69.40968	1.6
78.03455	1.2
79.05501	18.5
79.05963	1.0
80.05025	18.7
81.07063	100.0
82.01468	0.7
82.07384	0.6
85.64584	0.6
91.05509	1.1
93.07034	3.0
95.04983	18.9
95.08608	16.6
96.04493	9.3
98.06946	0.7
100.02486	8.8
105.04543	1.0
105.07039	1.1
106.02903	1.2
108.05741	1.3
108.09400	0.7
112.03962	2.0
118.03527	6.4
119.01921	1.3
121.10149	1.8
123.04470	4.9
123.05561	36.6
123.08076	9.4
123.09025	1.0
123.09179	0.8
123.10816	1.2
123.11715	22.7
124.03957	10.1
124.08625	0.6
134.69469	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0443
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01602	0.5
51.02382	1.5
53.03703	0.7
53.03952	14.0
55.01863	1.2
55.05511	1.1
57.07069	0.6
65.03941	1.6
67.05169	0.6
67.05510	8.9
69.76496	1.8
69.76901	0.8
77.03938	2.6
79.05501	5.3
80.05025	9.0
81.03420	1.2
81.07063	8.4
82.01447	0.6
88.15437	0.4
93.07063	0.5
95.04977	100.0
95.08609	3.2
96.04498	4.3
96.05267	0.8
96.08127	0.4
100.02486	5.9
101.00864	0.9
105.03407	1.5
105.04523	5.0
105.07065	0.5
108.05789	0.9
109.62796	0.3
112.03973	1.4
118.03534	3.8
119.01928	5.0
123.04452	26.2
123.05566	20.2
123.08066	5.6
123.11706	1.5
124.03966	5.2
124.04790	0.8
124.05874	0.4
137.02982	1.5
140.03482	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0443
Annotation	Tropolone
Peak:m/z	Relative Intensity
51.02383	1.4
53.03704	0.8
53.03950	12.8
55.01873	1.3
55.05508	1.1
65.03952	1.0
67.05509	6.7
69.95777	2.1
75.35631	0.3
75.87323	0.3
77.03950	2.2
79.05506	3.1
80.05025	6.4
81.03437	2.2
81.07064	8.1
82.01424	1.7
91.71782	0.4
93.07042	1.0
95.04974	100.0
95.08614	2.7
96.04487	2.6
96.05298	1.4
100.02489	8.7
101.00875	0.9
105.03415	0.8
105.04514	5.0
105.07059	0.4
106.02912	0.4
108.05756	0.5
112.03997	0.7
118.03537	5.5
119.01945	3.8
123.04446	21.8
123.05560	13.3
123.08064	4.6
123.11709	1.4
124.03961	2.9
137.02980	1.7
140.03456	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.4
53.73388	0.5
55.05520	5.4
56.13224	0.5
56.98850	0.5
57.07080	5.5
57.32050	0.5
65.03947	0.9
67.05509	15.3
69.07080	3.0
69.53294	2.5
69.53699	1.3
79.05498	14.1
80.05027	4.1
81.03439	0.7
81.07063	100.0
82.01443	0.8
82.07398	1.0
93.07057	2.3
94.07834	0.9
95.04980	7.5
95.08612	15.6
96.04498	2.1
98.21552	0.5
100.02476	3.0
105.07078	0.9
108.09407	0.5
118.03524	1.7
121.10148	1.4
123.04459	2.2
123.05569	10.1
123.08094	5.5
123.11711	22.7
124.03944	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
54.11747	0.6
58.99858	1.2
61.98176	0.4
70.25795	2.4
77.00903	0.7
82.01449	26.7
83.01525	1.2
83.94679	0.6
84.94297	0.6
88.98205	0.5
100.02489	100.0
100.67724	0.7
101.00266	0.9
101.00888	10.9
101.02580	2.4
114.04059	0.8
118.01184	1.4
118.03529	42.5
119.01927	39.8
123.04082	0.9
123.05573	2.1
131.01894	0.8
134.24127	0.5
137.02977	11.3
140.47922	0.6
141.05078	0.7
142.03473	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0444
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
50.01585	0.3
51.02378	1.2
53.03954	12.9
55.01870	0.9
55.05509	1.1
57.07076	0.8
65.03944	0.9
67.05514	6.7
68.05014	0.3
69.07075	0.3
70.69260	0.7
77.03940	3.5
78.03482	0.3
79.05505	3.0
80.05032	2.0
81.03435	1.5
81.07066	13.1
81.08634	0.2
82.01440	0.8
90.42326	0.3
93.07067	0.6
95.04979	100.0
95.08605	3.4
96.04513	0.8
96.05315	0.9
100.02495	3.2
100.18289	0.2
101.00919	0.4
105.03453	1.3
105.04524	5.8
105.07000	0.3
108.05748	0.5
118.03558	1.8
119.01917	0.9
123.04452	25.2
123.05548	4.6
123.08070	3.5
123.11705	2.7
124.03969	1.2
124.04783	0.3
141.97000	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.49193	1.0
51.02387	1.1
53.03955	16.3
55.01839	1.0
55.05508	8.5
65.03945	6.0
67.05492	3.5
69.34050	4.9
69.34473	3.8
77.03925	2.9
79.05500	69.9
80.05818	1.2
81.03433	2.0
81.07055	4.1
89.02768	1.1
91.05489	49.7
92.05810	1.8
93.07053	90.0
94.07394	1.9
95.04977	23.1
95.54504	1.2
103.05477	23.2
105.04543	6.5
105.07042	100.0
106.07870	7.7
111.04467	1.1
119.07783	1.8
119.08583	16.7
120.05734	1.1
121.02872	6.8
121.03957	1.9
121.06526	14.4
121.10151	61.2
123.08079	10.6
133.07597	6.3
136.93893	1.1
138.06735	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99861	0.9
70.54488	1.7
71.41824	0.5
82.01450	23.9
82.99842	0.6
83.01474	0.5
99.72307	0.4
100.02491	100.0
101.00896	7.2
101.02572	1.8
114.04038	0.9
118.03532	46.3
119.01932	33.8
123.04077	1.4
134.15533	0.5
136.04578	0.7
137.02965	10.3
141.05193	0.6
142.03474	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99861	1.6
61.84835	0.6
70.25994	1.9
74.59605	0.5
76.40428	0.6
76.42258	0.6
82.01450	28.0
83.01504	0.9
88.46157	0.5
95.04962	0.5
97.48384	0.5
98.20869	0.7
100.02488	100.0
101.00886	7.6
101.02605	1.7
103.81882	0.6
114.04012	1.3
118.01157	1.4
118.03530	41.2
119.01928	38.4
123.04034	1.3
123.05547	1.5
124.47805	0.6
126.58244	0.6
132.05115	0.6
137.02974	12.3
141.05074	0.7
142.03517	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	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
53.03947	15.8
53.40244	1.8
55.05518	10.2
59.49264	1.5
65.03944	2.7
65.37852	1.4
65.87307	1.4
67.05502	2.0
69.23401	11.5
69.23817	4.8
76.33785	1.6
77.03925	4.1
79.05500	70.8
81.07052	5.3
91.05482	48.6
93.07051	98.8
94.07407	1.7
95.04974	19.5
102.55546	1.8
103.05489	25.9
105.04543	5.3
105.07037	100.0
106.07826	10.5
107.34795	1.4
112.40645	1.6
119.08591	14.0
120.05727	1.6
121.02904	1.8
121.06538	6.9
121.10153	68.3
123.08073	10.5
133.07622	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	121.1015
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
53.03951	11.3
55.05517	11.4
63.38467	1.6
65.03943	13.1
67.05175	3.1
67.05512	41.2
71.55952	2.8
71.56341	2.0
77.03896	1.4
79.05501	98.1
80.05826	1.9
81.07050	1.6
91.05497	33.9
93.04549	2.3
93.07053	100.0
93.15313	1.6
94.07435	1.8
95.04979	14.8
103.05470	14.7
105.04515	6.1
105.07038	47.8
106.07830	2.9
119.08596	5.6
121.02871	13.3
121.03970	5.3
121.06543	16.9
121.10146	54.2
122.06027	4.1
122.09656	3.7
123.08078	5.5
133.07610	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	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
53.03728	1.5
53.03947	14.7
54.20819	1.2
55.05507	6.0
57.01386	1.1
65.03942	8.3
67.05487	4.5
70.59452	4.0
71.46027	1.1
77.03924	1.9
78.04688	1.1
79.05491	57.2
80.52589	1.1
81.07072	2.8
84.95184	1.2
91.05479	38.6
93.07043	71.5
94.07359	1.8
95.04967	17.7
98.20869	1.2
100.82175	1.1
101.56811	1.1
103.05471	19.7
105.04519	5.0
105.07030	100.0
106.07841	8.4
111.04465	1.2
119.08580	13.6
121.02882	7.5
121.03979	3.5
121.06496	13.4
121.10143	63.1
123.08076	10.4
133.07594	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	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.01597	1.1
51.02377	2.4
53.03706	1.8
53.03951	25.8
55.01861	3.6
55.05518	4.2
58.85162	0.9
60.86081	0.8
65.03947	9.7
67.05492	3.3
69.33920	5.1
69.34348	3.4
77.03925	3.5
78.04690	0.9
79.05496	49.4
80.06295	0.9
81.03420	2.7
81.07053	2.7
91.05484	77.7
92.05802	1.5
93.07047	94.8
94.04167	0.8
94.06506	0.9
94.07382	1.6
95.04972	36.4
98.20692	1.4
102.04710	0.9
103.05473	71.4
104.05814	1.8
105.04546	12.4
105.07034	100.0
106.07889	7.3
111.04446	1.9
119.08585	12.6
121.02879	10.9
121.04089	4.7
121.06514	82.8
121.10143	52.8
122.06043	1.4
122.06880	1.6
122.09660	1.2
122.10493	1.7
123.03537	1.1
123.08079	10.0
133.07591	5.9
138.06827	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02388	1.4
53.03947	11.5
55.01884	1.3
55.05515	2.5
55.56513	0.6
60.30613	0.6
65.03948	10.8
67.05508	2.7
67.78741	0.7
71.02963	1.6
74.85326	0.7
77.03928	1.7
79.05495	46.0
80.06251	0.7
81.03424	1.2
81.07075	1.7
91.05484	28.5
93.03372	0.9
93.07050	39.6
95.04971	14.2
103.05479	24.2
104.05796	1.0
105.04524	2.9
105.07037	100.0
106.07859	7.5
107.04879	0.9
111.04427	3.9
119.08589	13.9
120.05737	1.2
121.02876	11.9
121.03976	3.3
121.06524	16.9
121.10149	56.0
122.06052	1.0
122.10452	1.4
123.08076	12.2
133.07619	6.8
138.06789	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
52.32417	1.4
53.03952	15.2
55.01873	1.7
55.05515	11.2
65.03952	13.5
67.05506	32.1
70.88763	3.7
74.61979	1.3
77.03894	1.8
79.05498	87.5
91.05487	29.0
93.04539	2.8
93.07048	100.0
94.06488	1.8
95.04962	15.2
103.05482	12.8
105.04537	3.9
105.07039	41.5
106.07816	4.6
111.04469	1.7
119.08604	4.8
121.02877	16.0
121.03974	6.3
121.06525	15.8
121.09305	3.6
121.10149	48.2
122.06029	3.3
122.09676	3.6
123.08083	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01595	0.6
50.13854	0.4
51.02380	2.1
53.03948	22.5
55.01884	2.4
65.03934	1.6
70.69958	0.8
77.03931	5.1
77.24004	0.3
79.05488	1.6
81.03429	2.5
91.05482	67.2
92.05828	0.9
93.07045	58.2
94.04166	0.5
94.07333	0.5
95.04970	30.8
102.04687	1.7
103.05472	82.0
104.05803	0.9
105.04512	9.5
105.07018	0.9
111.04436	0.4
111.20889	0.3
118.06493	0.5
118.98640	0.3
119.04940	0.7
121.06506	100.0
122.06817	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02401	0.7
53.03952	9.5
55.05516	2.4
64.50713	0.7
65.03949	6.7
66.05444	0.7
67.05487	1.2
69.34541	0.8
70.43569	1.7
70.43905	1.1
77.03940	1.3
79.05495	40.7
81.07074	0.9
91.05483	18.0
93.07049	22.0
94.06580	1.1
95.04971	10.9
103.04787	1.2
103.05473	20.3
105.04525	2.8
105.07035	100.0
106.07865	7.9
111.04473	2.1
119.07736	0.5
119.08582	16.0
121.02896	7.1
121.04031	3.6
121.06519	16.2
121.07427	1.3
121.10149	58.4
122.06055	1.5
122.09663	1.1
122.10479	0.9
123.08082	11.4
129.62596	0.9
133.07587	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	121.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.7
53.03702	1.2
53.03953	22.8
55.01877	3.4
55.05497	1.2
64.06166	0.6
65.03951	3.6
65.93081	0.5
67.05509	1.0
67.41681	0.4
68.99805	0.5
77.03928	3.8
78.04733	0.7
79.05502	14.2
81.03430	2.4
81.07075	0.6
81.33705	0.5
91.05490	73.8
92.05807	1.3
93.07053	68.6
94.04188	0.6
94.07404	1.4
95.04979	34.4
102.04690	1.3
103.05480	83.7
104.05827	1.0
105.04524	11.2
105.07037	23.8
105.77995	0.5
106.07819	2.1
111.04460	1.3
119.08596	3.5
121.02910	2.3
121.06519	100.0
121.10149	14.3
122.06868	1.8
123.08090	2.4
133.07590	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01596	1.4
51.02374	2.9
53.03704	1.5
53.03954	27.9
55.01868	3.0
55.05502	2.1
56.24582	1.0
65.03930	6.1
67.05513	1.1
71.15543	1.7
77.03921	5.4
78.04727	1.5
79.05501	31.1
79.05963	1.5
81.03442	2.2
81.07066	1.0
91.05489	76.5
92.05782	1.1
93.07053	85.3
95.04980	39.2
102.04716	0.9
103.05479	89.2
104.05799	1.7
105.04533	12.1
105.07038	61.7
106.07819	4.0
119.08604	8.9
121.02892	4.2
121.06520	100.0
121.10156	34.0
122.06846	1.2
123.08094	8.0
133.07631	3.2
139.37476	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02378	1.6
53.03950	23.1
55.01879	3.4
57.02132	0.6
65.03945	6.2
70.87706	1.4
70.88032	0.5
77.03931	3.9
79.05489	1.8
81.03416	2.5
89.40765	0.5
91.05486	64.1
92.05817	0.7
93.07050	61.8
95.04977	36.7
98.37124	0.5
102.04707	1.1
102.49265	0.6
103.05476	79.5
104.05836	1.0
105.04523	11.2
105.07049	2.0
111.04443	2.1
118.47891	0.6
121.02911	5.6
121.04022	1.7
121.06516	100.0
122.06852	1.3
122.09672	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06705	0.4
53.03946	2.4
54.04287	0.4
54.41968	0.4
65.03941	5.0
69.59457	2.6
78.04717	1.1
79.05501	6.4
83.88435	0.4
91.05486	100.0
92.05801	1.0
93.07053	6.2
95.04980	3.3
96.05356	0.4
103.05470	12.7
104.06257	12.5
104.06960	0.6
105.04547	0.6
109.06536	1.4
115.05450	7.0
117.07024	37.6
118.07325	0.8
119.04943	2.5
119.08586	81.4
120.08908	1.2
121.06490	0.8
131.06091	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02381	0.4
53.03952	2.6
54.04267	0.5
63.51117	0.2
65.03942	6.2
67.05497	0.3
69.51013	1.4
77.03905	0.4
77.23955	0.2
78.04719	1.0
79.05054	0.4
79.05497	6.2
79.05958	0.3
91.05484	100.0
92.04961	0.3
92.05808	1.3
93.07047	5.3
95.04970	3.2
96.05305	0.9
98.20737	0.4
102.04697	0.5
103.05472	13.9
104.06253	11.4
104.06960	0.4
105.04506	1.1
109.06513	1.5
115.05459	6.5
117.07023	35.0
118.07374	0.4
119.04945	6.7
119.06072	1.5
119.06824	1.3
119.08583	66.5
120.05500	0.3
120.08889	0.9
121.06495	0.8
131.06039	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79197	0.6
51.99520	0.6
53.03949	4.0
54.04296	1.1
65.03944	4.5
69.53168	1.5
69.53580	2.7
72.62867	0.6
78.04732	1.3
79.05500	8.7
91.05486	100.0
92.05814	1.3
93.07040	5.4
95.04999	3.3
96.05311	1.6
103.05471	12.2
104.06259	14.2
105.04503	1.2
109.06551	1.7
115.05446	5.1
117.06286	0.5
117.07021	21.6
119.04942	2.5
119.06104	2.0
119.06850	2.5
119.08586	98.3
120.08108	0.9
120.08889	1.4
121.87748	0.6
126.66080	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03946	1.5
56.21249	0.6
65.03945	11.8
65.28947	0.7
78.04739	1.0
79.05505	4.4
91.05486	100.0
92.05819	1.8
93.07032	3.2
93.52407	0.6
95.04974	2.4
102.04697	0.6
103.05473	7.6
104.06255	7.6
105.04535	1.1
109.06501	0.6
109.47024	0.6
114.58798	0.6
115.05470	3.5
117.07023	15.2
119.04951	16.6
119.08585	66.8
134.13921	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02390	0.5
53.03956	3.0
54.04275	0.8
65.03944	4.4
67.05481	0.4
70.55544	1.3
78.04697	1.1
79.05501	6.7
91.05486	100.0
92.04927	0.5
92.05824	1.3
93.07051	5.7
95.04970	4.2
96.04494	0.7
96.05281	0.4
103.05476	12.9
104.06258	12.4
105.04510	1.2
109.06512	1.8
115.05466	6.1
117.07026	36.0
118.07301	0.5
119.04924	1.6
119.06075	2.5
119.06836	1.8
119.08585	75.3
120.05579	0.5
120.08924	1.4
121.06503	0.6
131.06067	0.5
135.19269	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.9
53.76405	0.6
54.04275	0.6
55.33594	0.6
65.03944	4.8
69.48413	0.6
69.89616	1.9
69.90018	1.4
78.04729	1.3
79.05496	8.0
86.87207	0.7
91.05486	100.0
91.27245	0.6
93.07046	4.0
95.04958	3.3
96.05280	1.0
98.21481	1.1
103.05463	10.7
104.06252	12.4
105.04539	0.7
109.06496	0.7
115.05459	5.2
117.07022	23.3
118.67108	0.6
119.04955	2.8
119.06067	1.7
119.08586	89.9
120.08890	1.6
131.06113	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03947	3.4
54.04301	0.6
65.03944	4.5
67.05493	0.8
69.69089	2.2
77.03944	0.5
78.04720	1.2
78.46004	0.4
79.05498	7.8
91.05484	100.0
92.05824	1.0
93.07053	5.8
95.04966	3.4
95.66074	0.4
96.05322	1.3
103.05472	12.1
104.05608	0.9
104.06257	12.6
105.04530	0.9
109.06509	1.4
115.05458	5.8
117.07024	21.9
118.07388	0.8
119.04983	2.8
119.06109	1.3
119.06892	2.8
119.08584	93.8
119.35781	0.4
120.08128	0.8
120.08937	1.8
121.06509	0.5
124.01148	0.5
131.06042	0.6
136.38896	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.3
53.03941	0.7
60.94856	0.2
63.02386	0.2
65.03944	18.6
70.09788	0.7
75.02380	0.3
78.04723	0.3
79.05485	1.6
80.82270	0.2
81.03444	0.2
82.19645	0.2
89.03934	0.2
91.05485	100.0
92.05808	1.5
93.07053	0.7
95.04967	0.9
96.05334	0.3
98.21441	0.3
103.05461	2.2
104.06258	1.7
105.04582	0.2
111.04467	0.5
115.05437	0.9
117.07028	4.3
118.04212	0.3
119.04950	32.0
119.08587	15.4
120.05309	0.5
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	1.0
65.03948	17.6
67.84158	0.5
69.26347	4.9
79.05496	1.6
82.17116	0.5
83.41769	0.5
89.03881	0.5
91.05489	100.0
92.05826	1.8
93.07029	1.2
95.04961	1.4
98.21583	1.1
103.05479	1.9
104.06261	2.0
115.05479	1.3
117.07023	6.2
119.04957	30.5
119.06822	0.9
119.08593	17.4
120.05358	0.6
130.84949	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0495
Annotation	Benzofuran
Peak:m/z	Relative Intensity
55.85578	0.6
65.03946	20.9
70.54021	0.6
70.62357	1.3
91.05487	100.0
92.05825	1.8
107.61323	0.6
107.87309	0.6
119.04950	33.1
119.06825	0.9
119.08584	1.8
134.40948	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0494
Annotation	Benzofuran
Peak:m/z	Relative Intensity
53.03961	0.5
56.12069	0.3
59.62257	0.3
62.53231	0.3
65.03945	20.7
65.82323	0.3
69.35417	0.9
69.35844	1.6
73.08468	0.3
79.05502	0.4
80.15366	0.3
91.05486	100.0
92.05047	0.2
92.05790	1.4
95.04982	0.6
96.04530	0.6
96.05202	0.2
96.43507	0.3
99.56578	0.3
103.05482	0.4
110.84898	0.3
111.04416	0.4
112.51047	0.3
117.06995	0.4
119.04952	34.7
119.05999	1.1
119.08564	2.7
120.05367	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0494
Annotation	Benzofuran
Peak:m/z	Relative Intensity
53.03957	0.7
62.94613	0.4
63.42288	0.4
64.65478	0.4
65.03946	20.1
70.63919	1.0
72.62012	0.4
73.93420	0.5
79.05495	1.2
88.22903	0.4
90.81966	0.4
91.05486	100.0
92.05821	1.2
95.04979	0.8
96.04512	0.9
96.05215	0.4
103.05441	1.1
104.06271	0.6
117.07023	1.5
119.04951	30.9
119.06030	2.2
119.08576	5.2
120.05532	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0495
Annotation	Benzofuran
Peak:m/z	Relative Intensity
52.73822	0.4
53.03937	0.8
65.03951	16.2
73.08474	0.4
79.05507	1.0
91.05492	100.0
92.04978	0.7
92.05869	1.0
93.07066	1.1
95.04982	0.8
96.04493	1.2
99.85085	0.5
103.05474	1.6
104.06277	1.2
109.06546	1.0
117.07050	2.6
119.04960	27.5
119.06052	2.8
119.06808	0.8
119.08588	10.9
120.04507	0.5
120.05547	0.7
120.08096	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96577	9.0
57.27176	1.7
67.05493	3.1
69.03410	5.3
70.50470	2.3
70.51237	5.5
80.89834	1.7
80.90332	1.7
82.01443	4.8
87.58877	1.8
91.05490	12.0
98.65365	1.9
98.97604	4.1
100.02490	7.8
101.00886	24.5
101.02548	2.7
103.02452	3.1
118.03527	5.3
119.01928	100.0
119.04932	2.4
120.02057	2.1
137.02950	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	119.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
54.01274	0.5
57.04855	0.5
58.97390	0.4
62.97123	0.4
65.03943	16.3
71.24711	0.5
76.93409	0.5
79.05498	1.5
86.38274	0.5
90.42899	0.4
91.05484	100.0
92.05034	0.7
92.05827	1.4
95.04964	0.8
96.04499	0.9
96.05328	0.5
98.20795	1.4
103.05470	2.0
104.06258	1.3
115.05473	0.7
117.07026	3.2
119.04949	27.0
119.06061	3.7
119.06812	0.9
119.08578	10.3
120.04455	0.8
120.05525	1.5
120.08126	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0495
Annotation	Benzofuran
Peak:m/z	Relative Intensity
51.02374	0.5
52.06959	0.3
53.03959	0.7
65.03948	17.0
66.42254	0.3
71.01301	0.7
79.05488	0.7
81.82292	0.3
82.67554	0.3
91.05490	100.0
92.05016	0.8
92.05833	1.5
95.04961	1.0
96.04510	1.1
96.05298	0.4
103.05488	0.7
104.06236	0.8
109.06517	0.4
111.34045	0.3
115.05484	0.6
117.07029	1.4
119.04956	31.2
119.06016	1.9
119.06838	1.0
119.08576	5.6
120.04472	0.3
120.05620	0.4
120.08128	0.4
121.04036	0.5
123.97632	0.3
128.20634	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55675	4.1
54.53416	3.7
55.01847	3.3
65.52137	4.4
67.05492	16.7
69.03426	12.5
69.93580	21.8
69.93887	4.6
80.02943	6.7
80.06278	6.1
81.07058	4.0
82.01450	7.7
85.01434	4.6
91.05468	10.4
93.07055	3.8
100.02466	17.0
101.00889	28.4
103.02438	9.2
107.05250	11.3
116.05801	11.0
119.01924	100.0
121.03465	8.4
129.04018	3.8
133.03503	3.6
133.98154	4.5
136.09459	4.0
137.02998	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1189.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
82.03743	0.1
83.01350	0.5
83.04987	0.2
85.02907	9.3
87.04480	0.8
87.74183	0.1
89.02375	0.1
91.05484	4.8
95.04983	0.7
97.02896	8.0
98.03224	0.1
98.21500	0.1
99.00819	2.6
99.04460	2.4
101.02380	0.5
103.03960	0.2
103.05465	0.1
105.03401	0.5
105.61897	0.1
107.04958	1.9
109.02882	7.1
111.00816	0.7
111.04447	0.6
113.02341	0.5
115.03921	0.3
115.05470	0.3
117.01860	0.6
117.05467	0.2
117.07059	0.1
119.04949	6.3
120.05722	0.3
121.02869	3.3
121.03824	0.1
123.04430	0.4
125.02354	0.5
127.03919	14.9
128.04285	0.1
128.06187	0.1
129.06990	0.2
131.04903	0.2
133.02885	0.6
133.06512	0.1
135.04408	0.1
137.02351	1.0
139.03963	0.2
141.01807	0.5
141.05449	0.1
141.06964	0.2
143.04907	0.1
144.05666	0.1
145.04968	6.0
145.06378	0.3
147.04396	1.0
149.02391	0.1
151.03909	0.8
152.06236	0.3
153.01834	4.1
157.06500	0.7
159.02979	0.2
161.02393	0.1
161.05960	0.3
163.03940	0.1
163.06046	0.1
165.00504	0.1
165.01839	1.9
165.05664	0.1
165.07027	0.4
167.08592	0.7
169.05020	0.1
169.06468	0.2
171.02977	0.1
171.04387	0.4
173.05992	0.1
175.03912	0.1
177.01785	0.1
177.05597	0.1
177.06953	0.4
179.03383	0.1
181.06465	0.1
183.02895	0.9
185.05978	0.5
185.09631	0.1
189.05510	0.2
191.08549	0.3
193.04956	0.1
194.02144	0.1
194.07347	0.2
194.54645	0.1
195.02876	0.1
195.04391	0.1
195.08047	0.6
197.04459	0.8
197.06061	0.3
199.03922	0.1
201.03967	0.3
201.05551	0.1
203.03371	0.1
203.07045	0.2
205.04990	0.1
207.02850	0.3
207.06532	0.1
209.09663	0.2
211.07553	0.2
212.08301	1.0
213.05829	1.6
213.09111	10.9
214.05818	0.1
214.09474	0.2
215.05536	0.2
217.04985	0.2
219.08008	0.4
223.07574	0.3
225.03952	0.9
225.09193	0.1
229.04959	0.2
229.07365	0.1
231.06494	0.7
235.05975	0.2
237.09146	1.1
241.04974	1.0
243.05000	5.9
247.07503	0.5
248.08107	0.1
251.07149	0.1
253.07095	0.3
257.04507	0.2
258.05249	1.3
259.06073	0.4
261.06097	0.8
265.08578	1.4
269.04507	0.3
270.04999	0.1
271.08057	0.1
275.07007	0.1
283.06021	1.2
285.06146	0.2
286.04639	0.4
287.05505	100.0
288.05838	2.9
288.09091	0.1
293.08081	1.6
295.06027	0.1
299.05371	0.4
300.06259	0.1
303.07022	0.2
311.05447	0.5
311.09094	0.7
315.07263	0.1
321.11157	0.1
323.05429	0.2
325.07089	0.2
329.06570	2.5
339.04877	0.1
341.06610	0.1
345.08426	0.1
349.07104	0.1
351.07098	0.3
353.06906	0.4
353.10300	0.4
365.06198	0.1
367.04507	1.0
369.08209	1.3
377.06372	0.3
387.09238	5.5
388.09491	0.2
395.07596	0.7
405.10272	1.9
413.08954	0.1
431.09604	0.2
437.12198	0.3
455.13464	1.0
493.07443	0.2
511.08542	0.3
529.09943	0.4
581.16406	0.6
581.84961	0.1
590.31909	0.1
655.12079	0.1
856.73206	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0655
Annotation	Indole
Peak:m/z	Relative Intensity
51.02365	5.0
53.03708	3.5
53.03952	65.5
55.01866	4.1
65.03943	2.0
69.55935	6.7
69.56355	7.9
76.93358	7.1
77.03949	10.5
81.03426	8.3
81.07533	1.8
91.05490	26.7
95.04974	83.4
98.21474	4.3
99.82620	2.1
103.05448	2.4
104.06275	2.1
105.04523	24.5
117.07025	5.8
118.06553	100.0
118.07280	3.7
118.08697	3.9
119.04965	2.4
119.08566	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1189.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02900	0.5
89.03861	0.1
91.05479	17.7
92.05808	0.2
95.04966	0.2
97.02888	0.4
99.04447	0.2
101.03947	0.1
103.05479	0.1
105.03386	0.2
107.04969	0.4
109.02872	1.1
111.00794	0.5
111.04443	0.2
115.05444	0.2
117.06998	0.0
118.04131	0.1
119.04942	26.8
120.05256	0.4
121.02866	2.1
121.03810	0.1
121.06470	0.0
127.03916	0.4
128.06210	0.1
129.06995	0.1
131.04892	0.1
133.02850	0.3
133.06396	0.1
135.04407	0.1
137.02318	0.6
141.06993	0.1
145.06465	0.2
147.04405	100.0
148.04739	1.9
153.01820	2.9
157.06535	0.3
161.06007	0.1
165.01837	1.3
165.05476	2.3
166.05792	0.1
169.06410	0.1
171.03076	0.1
171.04315	0.3
173.05971	0.1
175.03873	0.1
183.02896	0.6
184.05235	0.1
185.05966	0.4
189.05426	0.2
191.03389	0.1
197.05989	0.1
201.05573	0.1
203.03416	0.1
203.07040	0.1
207.06517	0.2
213.05470	1.3
215.03340	0.0
229.04906	0.1
231.06508	0.7
241.04958	0.8
243.06607	0.1
249.07748	0.1
255.06488	0.2
257.04633	0.1
258.05273	1.0
259.06009	0.4
269.04382	0.1
273.07590	0.2
283.05887	0.1
286.04724	0.2
287.05487	72.7
288.05838	2.3
291.08618	5.1
292.08975	0.2
299.05524	0.3
300.06171	0.1
309.09695	5.1
310.09814	0.1
311.05353	0.2
323.05762	0.0
325.07065	0.1
329.06528	1.7
330.07022	0.1
353.06473	0.2
363.34924	0.0
377.06564	0.2
395.07611	0.5
413.08456	0.1
431.09616	0.2
433.09204	0.0
437.12335	1.1
438.12958	0.0
455.13416	1.2
456.13565	0.1
491.55762	0.1
541.11560	0.1
559.12451	0.2
577.13110	0.2
595.14227	0.1
599.17480	0.1
723.16956	0.0
867.20532	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
51.02380	5.3
51.97884	1.6
53.03707	3.9
53.03952	71.5
55.01866	3.6
65.03946	2.2
67.00829	1.5
69.74598	6.5
69.75014	3.5
72.08149	4.8
75.32185	1.7
76.34482	1.5
76.93390	11.1
77.03926	12.4
79.05493	3.7
81.03434	7.7
91.05484	65.1
93.07018	2.7
94.94416	3.9
95.04974	92.5
98.20770	3.1
103.05476	4.8
103.71043	1.6
104.06250	5.5
105.04514	27.0
115.05461	5.2
116.05803	2.4
117.07030	22.5
117.56567	1.5
118.06553	100.0
118.07320	5.2
119.06082	1.6
119.06895	3.0
119.08588	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	118.0655
Annotation	Indole
Peak:m/z	Relative Intensity
50.01593	2.1
51.02390	6.8
53.03952	68.2
55.01868	4.8
57.99088	1.2
58.06595	1.4
59.93101	1.4
69.87131	5.0
72.08160	7.7
76.93376	12.3
77.03937	10.0
81.03433	7.8
85.71974	1.1
91.05481	24.1
92.05359	1.3
94.94400	2.6
95.04977	88.4
103.05475	2.5
104.06316	1.7
105.04519	28.7
115.05434	1.6
117.07023	6.4
117.95981	1.4
118.06551	100.0
119.04946	1.8
119.06881	2.2
119.08596	13.2
137.08032	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0655
Annotation	Indole
Peak:m/z	Relative Intensity
50.01604	1.2
50.73260	0.9
51.02394	7.5
53.03952	61.1
55.01857	2.6
55.05504	2.4
58.06599	2.2
59.07381	1.6
65.03948	1.9
72.08164	9.0
74.07814	0.8
76.93378	2.7
77.03931	7.6
80.14339	0.7
81.03427	6.1
91.05488	20.8
91.06071	1.0
91.11047	0.7
92.05801	2.1
95.04974	85.7
103.05495	2.0
104.06268	1.8
105.04529	27.9
116.05807	5.7
117.07018	3.4
118.06555	100.0
118.07328	6.4
118.08688	2.6
119.06102	1.8
119.06875	1.2
119.08582	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	115.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21869	0.8
53.03941	1.0
55.01884	4.5
56.96571	7.3
57.03439	5.4
58.99859	3.0
59.05005	4.6
59.52191	1.2
59.99958	1.6
60.95849	1.3
61.36835	0.9
65.21636	0.7
68.02634	0.9
69.03443	8.9
70.06590	4.0
70.50916	2.6
70.99848	1.3
71.01351	1.6
71.02976	1.5
71.99941	0.8
72.04484	0.6
73.02919	2.1
74.93141	0.8
75.01896	1.0
77.00918	5.0
78.00986	2.9
78.52965	3.1
79.00658	1.6
79.01867	1.0
79.63902	0.7
80.52708	0.7
81.03413	3.1
82.01435	1.8
83.01517	3.6
85.02917	4.4
86.52705	0.9
87.00889	0.8
87.04477	5.5
87.53481	1.8
89.00883	1.4
89.02540	0.9
91.02407	0.8
91.53743	1.4
92.02563	1.0
95.01324	3.1
95.01956	1.8
96.02059	1.3
96.04481	1.3
97.01711	0.8
97.02896	2.9
98.06099	0.8
98.07171	0.9
100.02486	10.7
100.52448	2.4
101.00883	15.3
101.01617	6.4
101.02581	27.4
102.02250	8.1
103.00623	2.0
103.02432	2.4
103.03168	1.3
107.61929	0.7
112.02826	2.8
112.03733	1.4
114.89355	1.7
115.01268	0.8
115.02453	0.8
115.03922	4.1
115.08722	1.3
116.98623	1.0
117.02241	1.0
118.01148	1.8
118.03521	8.9
119.01932	100.0
119.03620	22.8
120.02011	4.6
120.03271	6.6
121.01635	6.8
121.02361	0.9
121.03452	2.5
124.04197	0.8
131.01955	2.6
132.05161	0.7
133.01601	4.9
133.03477	5.3
133.05234	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0394
Annotation	CHEBI:87123
Peak:m/z	Relative Intensity
55.01879	2.1
55.05518	0.7
56.96572	19.5
57.44850	0.6
59.05005	100.0
60.95841	0.7
61.44566	0.6
62.14505	0.7
69.03432	6.6
69.07076	1.2
69.68081	4.4
70.03782	0.7
70.06590	1.4
71.03912	0.8
72.93785	2.2
73.93845	1.7
74.93182	0.7
74.93834	5.9
83.01342	1.6
84.08194	0.9
87.04473	91.2
91.67548	0.6
92.94868	0.9
98.21520	0.7
102.53156	1.1
103.03322	1.4
111.53654	3.2
112.03834	2.6
112.07603	2.9
113.07954	2.4
115.03933	30.1
115.96506	0.8
116.01714	1.0
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
51.99631	0.6
53.03944	0.7
54.06524	0.6
55.01866	1.6
56.96568	9.1
57.03443	5.0
58.99867	7.0
59.04997	0.6
59.28259	0.5
60.12846	0.5
65.52191	0.7
68.05018	0.6
69.03448	2.7
69.07065	0.8
70.99860	5.9
71.07784	1.4
71.94107	1.4
72.04519	1.4
72.52949	0.8
72.93797	26.2
73.02909	1.9
77.00909	7.3
78.21342	0.5
78.52953	1.3
79.02194	0.6
79.52833	0.7
81.03413	1.2
82.01450	31.4
83.01535	0.6
85.02890	1.1
85.53754	0.7
88.02673	1.9
89.00895	3.5
90.02490	0.6
90.94831	5.9
91.02447	2.1
92.52721	0.7
95.01942	2.3
96.01671	0.8
96.08115	0.9
98.97595	0.8
100.02489	100.0
101.00884	6.0
101.02586	2.4
102.02358	1.3
102.53155	0.8
105.00372	0.8
107.01976	1.0
109.03509	1.6
111.02930	4.4
111.53680	1.4
112.07592	1.6
113.00858	0.9
113.96390	1.8
114.04036	2.7
114.09187	4.6
115.02456	1.1
118.03529	52.2
119.01929	16.5
119.03645	1.0
120.01967	2.1
121.01704	1.4
123.04064	1.7
131.01917	5.4
131.97479	0.7
132.02037	1.3
132.05083	6.2
133.03494	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00315	0.7
53.03951	13.1
55.01865	1.0
55.05511	10.2
61.57011	0.5
65.03945	4.0
67.05505	100.0
69.07068	6.2
70.43914	0.5
70.69140	1.0
79.05502	12.3
80.06265	0.7
81.03420	23.6
81.07059	35.6
91.05489	2.1
94.04215	1.3
94.07838	1.7
95.04967	0.7
107.04939	0.7
107.08598	4.2
109.02882	8.8
109.06523	7.8
109.10159	45.4
110.06051	1.1
110.10495	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.5
55.01863	6.2
55.05518	47.2
57.07076	4.6
57.93577	5.9
65.03941	6.3
67.05505	4.3
68.05032	2.0
68.99799	6.7
69.03433	7.1
69.07071	100.0
69.91108	5.1
70.06602	1.8
70.94270	8.1
70.95869	2.1
76.49683	2.1
78.99954	3.5
81.07023	1.4
82.05299	1.4
83.04992	13.3
83.06082	2.4
83.08616	6.0
84.08151	3.2
86.31068	1.2
87.50616	2.3
88.00489	94.6
88.50715	2.7
88.95312	2.5
89.00250	9.6
91.05491	3.2
93.03411	1.4
93.07044	5.7
95.01295	2.4
95.04961	2.5
97.01011	84.4
97.51212	3.3
98.00783	5.3
99.51277	25.4
100.51038	3.0
104.01781	2.2
106.01521	8.3
108.51804	7.2
109.51551	1.4
111.00815	2.3
111.02073	1.4
111.04452	42.9
111.05602	4.6
111.06411	3.3
111.08087	11.5
111.09219	3.3
112.03948	7.3
112.07625	9.4
115.96446	45.6
116.97246	15.3
117.95998	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	109.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76185	0.4
51.02388	1.0
53.00314	0.8
53.03951	16.6
55.01878	0.9
55.05516	10.0
64.73608	0.5
65.03940	4.3
67.05508	100.0
67.93554	0.7
68.05843	1.1
69.07064	5.3
69.41844	2.0
69.42266	1.9
77.99957	0.5
79.05496	12.8
80.06286	1.1
81.03425	27.5
81.07062	36.2
82.06573	0.7
86.00664	0.6
87.00468	4.2
88.93918	0.5
91.05473	2.7
92.05811	0.6
94.04198	2.4
94.07848	1.4
98.20782	0.9
105.07047	0.6
107.04985	0.6
107.08589	3.7
109.02887	8.3
109.06531	11.6
109.07690	1.1
109.10163	45.9
110.06056	3.0
110.10504	0.6
113.96460	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.33761	0.6
53.03955	8.1
55.05513	10.9
65.03953	5.9
67.05508	100.0
69.07063	4.9
70.59398	2.4
72.93793	1.1
79.05498	8.8
80.06279	0.9
81.03421	11.0
81.07062	31.3
86.00742	1.4
86.50636	1.8
87.00471	7.2
91.05494	1.0
92.05846	0.9
94.06113	1.0
94.07838	1.4
96.00980	1.3
98.51278	1.2
107.08613	3.8
109.02912	3.4
109.06525	3.0
109.07681	1.4
109.08493	1.6
109.10163	40.2
110.06062	3.2
111.96863	0.8
113.96379	1.6
128.43889	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35538	0.8
51.98342	0.8
53.03705	1.4
53.03949	24.6
55.01874	4.5
55.05513	9.9
55.79433	0.7
57.94841	0.8
58.53314	0.8
65.03953	8.4
66.04734	1.8
66.05977	0.9
67.05508	100.0
67.93600	0.9
69.03417	1.1
69.07072	6.2
71.19736	1.5
79.05499	43.7
80.06268	1.7
81.03422	30.7
81.07061	56.1
91.05488	11.2
94.04195	8.1
94.07824	1.4
107.04960	3.7
107.08638	2.7
108.80203	0.8
109.02881	6.9
109.06528	74.2
109.10165	46.6
110.06064	1.8
113.96375	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03951	10.1
54.58747	0.6
55.01868	1.3
55.05515	11.0
65.03950	5.9
66.04712	0.6
67.05508	100.0
68.05842	1.2
69.03427	0.7
69.07078	7.0
71.07743	1.0
71.08089	0.9
79.05497	13.6
80.06271	1.2
81.03419	14.6
81.07061	36.7
91.05500	2.9
94.04200	2.3
94.07827	2.2
107.04930	1.1
107.08607	3.4
109.02878	3.3
109.06526	17.2
109.10162	54.6
110.06034	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
50.90607	0.8
51.02381	2.5
53.00304	0.9
53.03951	39.8
53.71697	0.7
54.81543	0.8
55.01864	2.5
55.05517	8.7
56.59052	0.9
65.03944	5.0
67.05508	100.0
69.07060	6.1
70.69650	1.1
70.69999	1.9
79.05072	0.8
79.05502	13.4
80.06283	1.0
81.03422	72.0
81.07058	33.4
82.03737	1.1
91.05526	2.2
94.04205	1.3
96.17531	0.8
100.35288	0.9
102.78423	0.8
107.08595	4.2
109.02886	31.2
109.06522	8.5
109.07688	1.0
109.10163	47.6
110.06072	2.1
110.10548	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0289
Annotation	o-Benzoquinone
Peak:m/z	Relative Intensity
50.01611	0.6
51.02393	2.5
53.00315	0.5
53.03951	47.6
54.04299	0.5
55.01873	2.8
55.05517	3.5
61.66614	0.5
64.98641	0.6
65.03943	2.1
67.05510	32.3
67.93562	0.7
69.07074	1.9
69.45264	2.0
69.45694	1.6
73.37395	0.4
79.05496	6.8
81.03423	100.0
81.07064	14.4
81.07501	0.3
82.03753	1.0
84.33173	0.5
86.00689	0.7
87.00465	1.5
91.05489	1.5
94.04188	1.2
107.04979	0.5
107.08603	1.0
109.02888	45.6
109.06532	7.6
109.07660	1.3
109.08388	0.7
109.10160	14.7
110.06030	1.5
113.96416	0.7
118.59155	0.5
128.61877	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	o-Cresol
Peak:m/z	Relative Intensity
51.02372	1.5
53.03954	26.9
55.01868	2.3
55.05302	0.8
55.05516	9.9
65.03945	9.9
66.04727	1.9
67.05510	100.0
68.05836	0.8
69.03434	14.2
69.07079	4.9
71.14724	1.6
79.05499	73.8
80.06279	1.8
81.03426	34.2
81.07063	94.3
88.10343	0.9
91.05479	7.5
92.05808	0.9
94.04179	5.9
94.07806	0.8
95.04984	2.2
106.48712	0.7
107.04980	2.3
107.08608	2.7
109.02888	10.2
109.06528	80.0
109.10160	46.3
110.06062	2.3
110.06818	1.0
110.76681	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03941	3.2
55.01875	1.3
55.05512	0.6
55.33180	0.5
62.99078	7.8
65.03943	13.2
67.05513	2.5
69.54003	3.8
77.03922	1.2
79.05495	19.3
91.05485	100.0
92.05768	0.7
92.06284	2.9
95.04975	5.5
103.05472	0.9
105.04543	1.0
105.07038	27.1
106.04223	0.8
106.11189	0.6
107.01677	1.0
107.04958	17.3
107.08598	33.1
109.06524	13.2
119.06087	6.6
124.05260	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03947	1.6
55.00189	0.4
62.99080	3.0
65.03940	12.7
67.05505	3.6
69.53448	3.2
73.44190	0.4
79.05493	21.0
87.64822	0.4
91.05481	100.0
92.05764	0.9
92.06293	2.6
95.04951	2.3
105.04552	0.5
105.07030	29.2
106.04195	0.9
107.04958	2.8
107.08593	29.0
108.08864	0.5
109.06516	12.8
119.06054	6.7
124.05180	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	2.8
53.00307	1.1
53.03950	51.0
53.06097	0.5
55.01874	4.5
55.05518	5.3
65.03946	2.9
67.05506	46.5
67.11363	0.4
69.07066	3.1
69.52427	0.5
70.36409	2.1
79.05499	9.8
80.06253	0.7
81.03421	100.0
81.06577	1.0
81.07057	20.9
81.88424	0.5
82.03745	0.8
86.00703	1.0
86.50633	0.8
87.00466	1.8
87.53141	0.5
91.00258	0.4
91.05519	2.4
94.04198	2.0
94.07854	0.9
95.04984	0.6
95.51184	0.5
96.88589	0.4
98.20847	0.6
107.04975	0.6
107.08592	1.5
109.02885	43.2
109.05784	0.8
109.06532	12.9
109.07315	0.7
109.07675	1.3
109.08453	0.9
109.10160	20.7
110.06037	2.2
113.96379	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01594	0.2
51.02393	1.1
53.03951	9.8
55.01883	1.6
55.80181	0.2
62.99079	3.5
65.03947	0.5
66.04383	0.3
67.05492	0.2
69.70013	1.1
77.03928	1.9
79.05500	13.6
80.05007	0.3
81.03416	1.2
87.77658	0.2
91.05486	4.0
95.04975	12.9
105.04523	3.6
105.07034	1.2
107.04962	100.0
107.08609	1.5
108.05309	1.1
109.06512	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02383	0.6
53.03952	3.5
55.01875	0.9
59.96717	0.5
62.99078	16.0
65.03943	14.7
67.05504	3.9
67.12872	0.5
69.22101	0.5
69.22426	5.9
76.15290	0.5
79.05495	28.6
80.05019	0.5
91.05482	100.0
92.06289	2.6
95.04971	4.4
98.21477	0.9
103.05425	0.7
105.04532	1.0
105.07036	27.2
106.04144	0.8
107.04963	11.1
107.08594	34.2
107.53284	0.6
108.04484	0.7
108.08150	1.3
109.06518	12.7
119.06079	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	105.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36190	0.7
51.02377	1.9
53.03954	16.9
63.35816	0.6
65.03930	1.8
65.10467	0.7
71.56795	1.4
77.03920	3.6
79.05498	46.9
80.42033	0.6
81.03432	1.1
85.24536	0.7
87.00832	6.0
95.04979	18.1
100.00024	0.7
102.10111	0.7
103.05474	30.5
105.03419	1.7
105.04528	6.5
105.07037	100.0
105.11092	2.0
106.06611	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0704
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01597	0.8
51.02387	1.9
53.03955	12.1
55.01865	0.7
64.98611	0.5
65.03941	1.4
71.57069	0.7
77.03930	2.6
79.05503	49.8
80.05841	0.5
81.03423	1.5
87.00835	1.5
90.38419	0.4
95.04981	17.5
96.55125	0.4
97.68945	0.6
97.83141	0.5
103.05484	31.8
105.03436	1.1
105.04544	6.7
105.07043	100.0
106.06561	1.5
106.07370	1.7
107.69897	0.4
112.65893	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01581	0.3
51.02382	1.3
53.03706	0.5
53.03949	9.2
55.01874	1.7
62.99080	3.9
65.03947	1.9
67.05502	0.4
67.85276	0.2
77.03922	2.0
79.05495	17.5
81.03430	1.6
91.05482	15.9
92.06256	0.6
95.04972	14.4
98.21568	0.5
105.04517	3.9
105.07029	5.0
107.04957	100.0
107.08595	5.2
108.04544	0.4
108.05291	1.2
109.06521	2.4
119.06071	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01601	0.7
51.02380	3.4
53.03951	30.6
53.95104	0.6
55.01874	2.3
60.12502	0.5
62.99083	16.1
65.03946	9.2
67.05503	4.2
71.14075	1.3
72.29308	0.6
77.03931	3.6
79.05499	84.4
80.05017	1.0
81.03432	2.8
91.05488	64.3
92.06277	1.8
93.05787	1.2
95.04974	40.9
103.05475	0.7
105.04527	12.9
105.07034	18.4
106.06625	0.7
107.04962	100.0
107.08604	20.3
108.05300	0.8
108.08093	3.9
109.06528	8.4
118.06561	0.7
119.06080	4.1
124.05190	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01594	0.4
51.02367	1.7
53.03951	11.3
53.33784	0.4
55.01879	0.5
65.03941	0.8
70.43925	0.6
70.44318	0.7
73.89555	0.4
77.03928	3.1
79.05497	44.9
81.03420	1.0
87.00851	1.7
95.04977	15.0
103.05479	28.2
105.04555	4.2
105.07035	100.0
106.07386	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	2.2
53.03704	0.8
53.03946	14.9
55.01864	1.0
65.03934	1.0
71.56689	0.7
77.03923	3.3
79.05494	50.3
81.03409	1.4
87.00831	5.4
95.04969	19.6
103.05472	29.7
104.05753	0.7
105.01884	0.6
105.03410	2.4
105.04517	6.8
105.07032	100.0
105.11092	0.6
106.07327	1.0
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
50.01597	0.8
50.43954	0.5
51.02380	2.2
52.17160	0.4
53.03708	0.8
53.03952	15.7
55.01863	0.9
57.18976	0.6
57.74952	0.4
59.04991	0.6
61.08490	0.6
65.03953	1.1
71.55929	0.5
71.56321	0.5
77.03543	0.7
77.03931	3.7
78.49957	0.4
79.05496	54.1
81.03427	1.6
87.00828	3.4
95.04974	23.6
96.04471	0.5
96.58669	0.5
103.05473	32.3
105.03440	3.1
105.04535	8.5
105.07034	100.0
105.11071	1.1
106.06573	1.0
106.07330	0.7
109.22713	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02379	1.2
53.03952	13.9
53.27370	0.7
55.01889	0.7
56.68863	0.8
58.39668	0.6
60.11712	0.7
61.84227	0.6
63.71821	0.6
65.03918	0.9
69.91216	3.8
73.90269	0.6
77.03923	3.1
77.13580	0.7
79.05500	46.9
80.05827	1.2
81.03421	1.2
87.00835	3.0
88.27454	0.9
95.04974	17.5
103.05476	29.8
105.03422	0.8
105.04551	5.7
105.07037	100.0
106.07389	1.0
112.48220	0.7
121.15334	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.2
53.03949	11.2
55.01871	0.8
57.91706	0.5
65.03949	1.0
69.53665	3.9
77.03933	3.3
79.05499	43.2
81.03416	1.3
87.60070	0.5
89.20881	0.6
95.04977	16.1
103.05478	25.4
105.03424	0.8
105.04532	4.6
105.07039	100.0
106.07381	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59185	0.4
55.01850	0.4
56.96572	4.0
58.96175	2.2
58.99859	1.0
59.96187	0.8
60.95848	1.4
64.59364	0.4
69.72599	2.8
73.94839	0.6
77.00897	0.8
79.01870	0.7
82.01418	0.7
82.99846	2.6
83.01501	2.3
90.01920	0.6
94.79799	0.4
98.21532	0.4
99.02467	2.5
100.02489	1.5
100.97189	1.5
100.97993	1.1
101.00886	29.6
101.02563	6.5
102.00934	0.5
102.02237	0.6
118.03519	0.6
119.01926	100.0
119.03615	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	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	1.0
51.02382	3.8
51.14122	0.6
53.03953	30.1
55.01873	0.9
77.03928	5.9
81.03410	2.2
95.04977	37.7
102.04677	5.8
103.05478	100.0
104.05795	1.0
105.04532	10.5
114.80264	0.6
117.26994	0.6
117.43352	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	2.6
53.03953	26.4
55.01883	0.8
56.96569	1.5
57.03439	1.4
60.02148	0.8
60.08166	1.8
60.95864	3.3
69.90924	2.5
75.94567	0.9
77.03943	6.7
81.03420	2.9
85.02891	1.7
86.63819	0.6
95.04978	35.7
98.21121	1.9
101.64946	0.6
102.04690	4.9
102.96889	2.3
103.04036	4.3
103.05479	100.0
104.10755	3.3
105.04524	10.1
120.97922	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46309	0.1
53.73203	0.1
56.81052	0.1
58.06304	0.2
58.06360	0.1
58.06601	5.4
59.07386	1.6
60.08168	48.9
61.08508	0.1
69.75707	0.5
69.76118	0.3
86.09709	0.2
99.49938	0.2
102.78934	0.1
104.10751	100.0
105.11086	0.3
119.66235	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	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01585	0.6
51.02373	1.1
53.03704	0.6
53.03949	12.8
58.61467	0.5
65.03936	1.3
69.64451	3.3
77.03928	2.8
79.05492	50.2
81.03417	1.3
87.00837	2.5
95.04971	18.6
103.05469	31.8
105.03420	1.1
105.04546	6.1
105.07030	100.0
106.07377	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1007.6069
Annotation	Unknow
Peak:m/z	Relative Intensity
69.71788	0.5
71.57390	0.5
76.62778	0.4
81.07059	0.6
83.02674	0.4
85.25119	0.4
86.65253	0.5
87.29651	0.5
122.68679	0.4
310.69406	0.5
345.43832	0.5
397.21457	0.5
427.88718	0.5
515.29791	9.4
515.42773	0.5
516.30225	0.5
1007.60718	100.0
1008.60980	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	101.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	2.1
59.99933	1.3
60.95831	1.8
68.10739	1.5
71.32767	2.0
78.24639	1.3
82.99829	2.3
83.01520	7.4
84.01193	1.4
100.02444	3.6
101.00273	2.3
101.00890	31.6
101.02557	24.1
102.02218	4.3
103.94511	1.3
113.41738	1.3
118.93220	1.3
119.01927	100.0
119.03632	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	101.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	2.7
58.96170	2.5
58.99842	1.5
59.06123	1.6
59.99946	1.8
60.95859	1.9
61.05981	1.4
71.14409	1.8
79.45539	1.4
82.01479	1.7
83.01527	11.4
83.48266	1.2
96.69529	1.5
100.02486	3.2
100.20772	1.6
100.97183	2.2
101.00883	26.9
101.02566	32.5
102.02238	4.6
102.29512	1.4
119.01931	100.0
119.03655	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	1002.6517
Annotation	Unknow
Peak:m/z	Relative Intensity
70.20775	2.3
71.04992	2.7
71.08633	9.6
75.04485	2.7
79.05499	16.5
81.07066	46.5
83.04974	2.1
83.08627	38.5
85.06525	1.5
85.10175	3.8
91.05495	11.8
93.07058	23.1
95.04985	1.7
95.08615	32.2
97.06548	9.8
97.10176	24.0
99.00830	17.8
99.08092	0.9
101.06001	1.0
105.07034	2.1
107.04977	14.5
107.08604	14.6
109.10168	14.5
111.08098	7.6
111.11729	7.8
115.07587	2.1
117.01873	2.0
119.04955	15.5
119.08618	1.2
120.05751	1.1
121.10155	23.9
123.11723	9.8
125.09653	5.5
125.13294	1.7
129.09192	1.5
129.22125	1.0
133.06429	1.1
135.11702	20.2
137.13272	7.7
139.11198	6.6
143.10654	1.8
145.06438	1.6
147.04349	2.0
149.13281	12.8
151.14810	1.3
153.12746	4.1
155.03387	2.1
157.12263	1.1
163.14851	7.5
167.14316	1.5
171.13846	1.3
173.04501	4.7
177.07039	1.3
177.16379	2.8
181.15915	1.8
181.66060	1.0
185.15318	1.8
195.20967	1.0
197.05965	1.0
199.07567	3.4
199.16954	1.5
212.08350	4.5
213.09129	13.2
219.08075	2.0
219.21085	18.8
223.07532	1.4
224.03894	0.9
235.20483	1.1
237.09045	2.9
237.22145	46.6
247.07690	1.2
255.23209	34.3
265.08627	4.1
293.07941	2.2
293.24924	2.3
311.25830	20.0
329.27042	11.0
355.26227	1.8
385.29739	2.1
409.25882	100.0
410.26221	2.6
427.21616	1.8
427.26962	26.9
449.30615	6.1
473.43481	1.4
483.29587	2.4
491.44769	7.0
501.30426	2.0
520.70343	1.2
547.30298	2.8
566.83160	1.0
589.43988	1.3
621.33862	1.9
639.35565	9.4
663.48584	11.8
681.49951	4.6
737.51532	2.6
755.52881	3.8
801.52734	3.0
875.41302	1.5
875.56775	25.9
893.58209	6.5
949.58948	3.4
967.61786	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	1002.6517
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04978	4.5
71.08646	14.3
75.04492	2.4
79.05499	28.3
80.72068	1.7
81.07058	85.2
82.53605	1.8
83.04987	4.4
83.08134	4.1
83.08621	68.6
85.06519	4.6
85.10168	10.9
91.05482	34.1
93.07046	40.3
95.04961	4.6
95.08608	63.4
97.06533	16.5
97.10170	47.0
99.00819	22.5
99.08080	2.4
105.07034	4.0
107.04958	35.1
107.08593	33.1
109.10160	29.0
111.08090	11.3
111.11728	10.7
115.07549	2.3
117.01820	2.6
119.04947	53.2
119.08591	2.5
121.02862	2.8
121.06473	2.5
121.10146	47.2
121.11024	2.8
123.11710	23.3
125.09640	7.9
129.09064	2.8
133.06506	3.0
135.11696	40.5
137.13281	14.2
139.11182	10.2
147.04422	54.6
147.08104	2.2
147.11618	2.0
149.13249	24.8
153.12758	5.8
163.14873	9.3
167.14301	4.1
171.04433	2.6
171.13763	2.7
173.04482	3.6
177.16391	3.5
181.15897	4.6
185.15379	4.2
189.21077	2.0
195.08090	2.3
197.05927	2.4
199.07533	13.4
199.16949	2.7
211.07466	2.9
212.08313	8.8
213.09103	34.8
213.18481	2.3
217.19492	2.1
219.21107	31.2
223.07654	2.8
235.20560	6.4
237.09167	5.5
237.22139	94.9
247.07387	3.8
255.23196	59.4
265.08646	3.9
293.08145	5.0
293.24796	4.7
296.26117	1.8
311.09219	3.2
311.25815	33.2
329.27234	16.4
355.26392	4.6
367.11945	2.3
385.29327	4.2
409.25854	100.0
410.26227	3.4
427.26904	23.2
449.30548	25.6
473.43616	5.3
475.30386	3.4
483.29495	10.4
491.37793	2.9
491.44632	39.7
501.30139	2.6
547.30457	9.3
565.47357	3.1
621.33710	5.3
621.50031	2.4
639.35101	11.4
663.48425	18.7
681.49554	12.7
703.53009	5.4
737.52069	11.4
755.52600	8.2
783.51233	3.7
801.52521	4.2
875.41089	3.3
875.56689	42.6
876.55524	3.3
877.34924	2.0
893.57452	21.5
894.57458	3.6
933.82843	2.0
949.60370	21.3
967.61353	45.2
968.60541	4.9
1002.59888	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	1002.6517
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01351	1.8
71.03973	0.6
71.04985	2.0
71.08635	10.8
73.06557	1.1
75.04478	2.7
79.05058	1.0
79.05495	18.3
81.07060	52.7
83.04982	2.5
83.08621	42.0
85.06535	2.4
85.10188	5.6
91.05481	14.9
93.07050	26.0
93.91669	0.4
94.30882	0.4
95.04955	2.4
95.08611	40.6
97.06539	10.3
97.10174	29.6
97.10674	0.3
98.10509	0.6
98.20610	0.4
99.00819	23.5
99.08086	1.8
101.06033	1.3
101.09663	0.7
105.07055	1.3
107.04961	14.3
107.08596	17.9
109.10162	17.6
111.08089	7.6
111.11723	6.9
113.09660	0.7
115.07551	2.0
115.11217	1.1
117.01826	2.3
119.04952	18.8
119.08551	1.1
120.05743	0.8
121.02860	1.5
121.06524	0.8
121.10149	30.2
122.10541	0.6
123.11714	11.9
125.09639	6.1
125.13277	1.2
127.11157	0.8
129.09117	1.6
131.04932	0.8
131.08557	0.8
133.06534	1.0
135.08153	0.5
135.11702	25.3
135.73941	0.6
137.13251	7.3
139.11163	5.8
139.14784	0.5
141.12729	0.9
143.10677	1.6
145.06479	1.1
147.04475	2.3
147.11642	0.8
149.13268	14.4
151.14850	1.9
152.06268	0.5
153.12753	3.9
155.03371	0.8
157.06607	0.6
157.12253	1.4
163.14845	7.5
165.07027	0.9
167.08556	1.4
167.14348	3.3
171.02721	0.5
171.04457	0.6
171.13838	1.6
173.04500	3.7
177.06950	0.8
177.16374	3.3
181.06596	0.5
181.15918	2.2
185.09570	0.6
185.15390	2.0
187.03943	0.9
189.05499	0.8
191.08543	0.7
193.15916	0.5
194.07437	0.5
195.08047	2.1
195.17453	1.1
199.07558	4.7
199.16957	1.8
209.09642	0.8
211.07645	0.6
212.08307	6.8
213.09116	16.6
217.19576	0.9
219.08047	1.7
219.21083	21.5
220.21373	0.5
223.07553	1.6
235.20558	2.2
237.09085	3.8
237.22137	54.5
238.22455	1.0
247.07494	2.3
251.10658	0.7
255.23206	39.3
256.23639	0.7
265.08633	3.6
275.07050	0.6
275.23584	0.6
289.94974	0.5
293.08005	2.9
293.24777	2.3
296.25964	0.7
311.09338	1.2
311.25830	22.4
313.27200	0.7
317.21478	0.5
329.27020	15.4
355.26315	1.8
360.28009	0.5
385.29526	1.4
400.22382	0.5
409.25854	100.0
410.26297	3.0
427.26935	30.2
429.42175	0.6
449.30539	6.5
473.43420	1.2
483.29434	3.6
491.44611	6.8
501.30371	1.8
509.46359	0.6
547.30371	2.4
565.48328	1.0
589.44409	0.6
621.34351	1.4
639.35309	11.1
648.99261	0.5
663.48291	7.4
681.49408	5.1
737.51837	4.8
755.53149	5.0
783.51038	0.7
801.52521	2.1
875.56677	16.4
876.56653	1.3
893.57703	7.0
949.60461	6.9
967.61560	15.6
968.61450	0.9
1002.55139	0.9
1025.06848	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.6511
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01342	1.3
71.03951	0.6
71.04980	2.2
71.08633	7.0
71.48830	0.7
71.88322	0.4
73.06551	1.1
73.80659	0.4
75.04481	2.4
77.03904	0.6
79.05490	15.2
81.07054	39.0
83.04974	1.9
83.08615	33.5
85.06544	2.1
85.10179	4.9
91.04895	0.5
91.05476	14.6
93.07040	18.6
95.04953	1.8
95.08601	31.2
96.08925	0.5
97.06528	8.4
97.10165	23.5
99.00811	21.3
99.08091	1.9
99.11720	0.7
101.06016	1.3
101.09698	0.5
105.07009	1.5
107.04948	9.4
107.08588	13.1
107.09290	0.8
109.10151	13.1
111.08076	5.4
111.11716	6.7
113.09628	0.9
115.07550	0.8
115.11227	0.5
117.01850	1.9
119.04941	21.3
119.08553	0.8
120.05746	0.7
121.02873	1.1
121.06528	0.9
121.10136	21.8
122.10468	0.5
123.11704	10.0
125.09619	4.8
125.13294	1.0
127.11256	0.6
129.09128	1.4
131.04900	0.8
133.06471	0.5
135.11690	20.5
137.13234	5.9
139.11197	5.0
141.12645	0.4
143.10616	1.5
145.06400	0.8
147.04408	2.0
149.13257	11.6
151.14809	1.1
152.06134	0.4
153.12721	3.9
155.03392	1.4
157.06557	0.6
157.12268	1.1
157.15813	0.5
163.14796	6.4
165.07011	0.9
167.08589	1.2
167.14323	2.4
171.13817	1.5
171.17397	0.5
173.04482	4.7
173.05859	0.7
177.06998	0.9
177.16359	2.5
181.15875	1.6
185.15381	1.3
187.03915	0.5
191.08612	0.6
195.08095	1.6
195.17529	0.8
199.07497	2.7
199.16911	1.4
201.29956	0.4
212.08282	6.2
213.09099	14.5
219.08109	0.9
219.21078	18.9
220.21349	0.7
223.07520	0.6
235.20622	0.8
237.09097	2.8
237.22113	48.9
247.07692	1.3
251.10718	0.6
255.23180	36.1
256.23453	1.0
265.08600	2.6
291.10791	0.5
293.08179	1.7
293.24722	2.9
296.25861	0.6
311.09183	0.9
311.25775	22.6
312.26184	0.5
329.26901	14.9
355.26181	0.6
385.29440	1.3
409.25824	100.0
410.26038	2.9
427.26904	32.6
428.27231	1.0
449.30463	3.2
473.43506	0.6
483.29391	3.8
491.44492	4.1
501.30725	1.1
529.29187	0.6
547.30542	1.9
565.47980	1.5
621.33868	2.1
639.35217	12.5
639.51300	0.6
640.35474	0.9
663.48206	5.5
681.49469	3.1
692.89899	0.4
695.37848	0.6
737.52014	3.8
755.52930	4.8
801.52509	0.6
875.56543	8.4
876.57019	0.5
893.56702	1.9
949.60284	3.3
967.61169	8.0
1002.60376	2.5
END